smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCO[C@H]1CCCN(C(=O)N[C@H]2CCOC2)C1	159384375	SVSABNKTOXGODX-QWRGUYRKSA-N	242.319	0.986	70	20	BCID	
CCc1nc(CN2CCC[C@H]([C@@H](C)O)C2)n[nH]1	159430198	CZFGTKCVXQCIBK-ZJUUUORDSA-N	238.335	0.960	70	20	BCID	
O=C(CS(=O)(=O)Cl)N1CCCCC1	157452517	PBKIXQNIUGTXID-UHFFFAOYSA-N	225.697	0.568	70	20	BCID	
COCCCCN(C)CC(C)(CO)CO	159519215	WPPSVERIPRYNHP-UHFFFAOYSA-N	219.325	0.336	70	20	BCID	
COCCN(CCO)c1ncc(C)cn1	160434660	JYJNFDNZZXNGQX-UHFFFAOYSA-N	211.265	0.230	70	20	BCID	
O=C(O)c1cccc(OS(=O)(=O)F)c1	1887611019	GITIUVRLICWVQV-UHFFFAOYSA-N	220.177	0.978	70	20	BCID	
CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCOC1	159365817	PYBOTOYVNUGARJ-SNVBAGLBSA-N	238.291	0.350	70	20	BCID	
C[C@@H](O)C[C@@H]1CCCN1CCCCO	159384160	SEMHJSUWQHWTMA-MNOVXSKESA-N	201.310	0.994	70	20	BCID	
COCCC(=O)N1CC[C@H]([C@H](C)N)C1	159515329	PLODCYOOKWGOMW-IUCAKERBSA-N	200.282	0.219	70	20	BCID	
CCCn1c(C)nnc1S(=O)(=O)Cl	161240561	LGSGHNPORDPUAA-UHFFFAOYSA-N	223.685	0.924	70	20	BCID	
CC[C@@H](C(N)=O)N1CCC[C@@H](C(=O)OC)C1	218044517	AVJMRQDTPWUKKH-BDAKNGLRSA-N	228.292	0.135	70	20	BCID	
CO[C@H](C)C(=O)N[C@H](C)[C@H]1CCCNC1	160925067	CKSQEQLYYHSDHX-BBBLOLIVSA-N	214.309	0.526	70	20	BCID	
CS(=O)(=O)CCn1ccc2occc2c1=O	161401465	DIUIKMLRPIOEFG-UHFFFAOYSA-N	241.268	0.639	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)COC	160423431	YEJOOKAAMJYLQI-ZETCQYMHSA-N	203.238	0.091	70	20	BCID	
Cc1ncoc1C(=O)NCCNC(C)C	159559107	BXDYYBQWDYALQA-UHFFFAOYSA-N	211.265	0.711	70	20	BCID	
CCN(CC(=O)NC1CC1)Cc1cnn(C)c1	161082115	QVLWXDBDCQZCSN-UHFFFAOYSA-N	236.319	0.521	70	20	BCID	
COCCN(C)C(=O)c1ccncc1F	161391248	ACIHRHNVYMQVRL-UHFFFAOYSA-N	212.224	0.939	70	20	BCID	
CSC[C@H](C)NC(=O)N[C@H]1CCOC1	159411306	DBXICQYJENKJMX-YUMQZZPRSA-N	218.322	0.826	70	20	BCID	
CS[C@H](C)CNC(=O)N[C@@H]1CCOC1	159431430	NYQTXLJFHNVWLM-HTQZYQBOSA-N	218.322	0.826	70	20	BCID	
Cn1ncnc1CSCCN1CCOCC1	159941284	LPMCWBVAIDGPIA-UHFFFAOYSA-N	242.348	0.381	70	20	BCID	
CCOC(=O)CCN1CC[C@@H](NC(C)=O)C1	160290971	BYDDJNFURXYIAZ-SNVBAGLBSA-N	228.292	0.150	70	20	BCID	
CC[C@@H](C)NC(=O)CN1CCC[C@@H](N)C1	217525199	BXFJPPKUFSZGCV-NXEZZACHSA-N	213.325	0.324	70	20	BCID	
O=S(=O)(Cl)CCc1cnccn1	103595540	RJPVMSJIJSZOCG-UHFFFAOYSA-N	206.654	0.588	70	20	BCID	
CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H]1CCOC1	159476917	YLLXSKAPWVGAMI-HBNTYKKESA-N	242.319	0.984	70	20	BCID	
C[C@H](O)CNC(=O)c1cnc2c(c1)ncn2C	159692222	RGZMHNHGANGCLK-ZETCQYMHSA-N	234.259	0.079	70	20	BCID	
CC[C@@H](NC(=O)CCOC)C(OC)OC	218106523	FRXBSHQSWSFTHK-MRVPVSSYSA-N	219.281	0.537	70	20	BCID	
O=C(c1cccc2c1OCO2)N1CC(O)C1	161473007	CSOGDFLOGHAWGX-UHFFFAOYSA-N	221.212	0.232	70	20	BCID	
O=S(=O)(F)c1ccc(-c2nn[nH]n2)cc1	1887512767	LMPUTRHWDAGULS-UHFFFAOYSA-N	228.208	0.525	70	20	BCID	
CC[C@H](O)CCNC(=O)N[C@H]1CCOC1	159547927	WBNZWANYHMWCIY-IUCAKERBSA-N	216.281	0.236	70	20	BCID	
Cc1nccn1CCN(C)CC[C@H](C)O	160390797	NIXUAKZSOGWGDY-JTQLQIEISA-N	211.309	0.894	70	20	BCID	
CCS(=O)(=O)C[C@@H](C)N[C@@H](C)CN(C)C	217327601	YVYMVLGAQFTXNE-VHSXEESVSA-N	236.381	0.349	70	20	BCID	
CC[C@H](CSC)NC(=O)[C@@H](N)CCOC	217332302	XGOMECNCGGZJSW-BDAKNGLRSA-N	234.365	0.608	70	20	BCID	
C[C@@H]1CN(CCS(=O)(=O)Cl)C[C@@H](C)O1	307182721	VTBOCQLHLWADKF-HTQZYQBOSA-N	241.740	0.664	70	20	BCID	
COc1cc(F)c(C(=O)NCCO)cc1OC	159403054	ADYXQQIIMJVEGC-UHFFFAOYSA-N	243.234	0.565	70	20	BCID	
COCCN(C)C(=O)N[C@H]1CCOC1	159442157	VUGATQZYOZMZMQ-QMMMGPOBSA-N	202.254	0.063	70	20	BCID	
COCCCCC(=O)N(CC(N)=O)CC(C)C	159668048	GHTXTXNTHZCGBR-UHFFFAOYSA-N	244.335	0.773	70	20	BCID	
CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)CC	160801638	FSHGTDDOEHWRAU-YUMQZZPRSA-N	216.281	0.039	70	20	BCID	
C[C@@]1(O)CCCN(C(=O)c2csnn2)C1	161040142	AVBNFUODYIHIDF-SECBINFHSA-N	227.289	0.525	70	20	BCID	
CNC[C@H]1CCCN1C(=O)C[C@@H]1CCCN1	161348397	SHYRLPRORZAEFD-WDEREUQCSA-N	225.336	0.339	70	20	BCID	
OC[C@H](O)CNc1nnc(C(F)(F)F)s1	161420400	HROKUEDECFNGHY-GSVOUGTGSA-N	243.210	0.322	70	20	BCID	
CC(C)(C)OC(=O)NC1(C(=O)NCCO)CC1	159432588	OXKKBLNURLBIFJ-UHFFFAOYSA-N	244.291	0.152	70	20	BCID	
CO[C@]1(CNc2nc3ccccn3n2)CCOC1	160642986	YGMAGOUTNJYOFJ-LBPRGKRZSA-N	248.286	0.947	70	20	BCID	
C[C@@H](CO)SCC(=O)NC(=O)NC1CC1	160770844	ATZWNCRDVCPKDE-LURJTMIESA-N	232.305	0.089	70	20	BCID	
Cn1nc(C(=O)N2[C@H]3C=CC[C@H]2CC3)ccc1=O	218724177	DVMYXQOSDGUIHH-UWVGGRQHSA-N	245.282	0.713	70	20	BCID	
NC[C@H]1CN(C(=O)C2CC=CC2)CCO1	159517479	PDECPWWCQRDIHY-JTQLQIEISA-N	210.277	0.139	70	20	BCID	
CN(CC(=O)NC1CC1)C(=O)C1(C)CC1	159771709	YNTWUDGGBNIAFO-UHFFFAOYSA-N	210.277	0.524	70	20	BCID	
Cc1nnc(CS[C@@H](C)CO)n1C	160700635	KCEFSZPMHIAOKO-LURJTMIESA-N	201.295	0.738	70	20	BCID	
CCCN(CCO)Cc1cnc2cnccn12	161202981	JLLYMZAQGCDSCK-UHFFFAOYSA-N	234.303	0.934	70	20	BCID	
COCCC(=O)NC[C@H](O)C(C)(C)C	159682246	OYDTWRFRKRJMKR-QMMMGPOBSA-N	203.282	0.546	70	20	BCID	
Cc1noc(NC(=O)[C@@H]2CCn3ccnc3C2)n1	160095703	WBASQLAWPAZQFS-MRVPVSSYSA-N	247.258	0.776	70	20	BCID	
CO[C@@H](C)C(=O)NC[C@H]1CCCCN1	160923263	SXRPJWZPZXILGD-DTWKUNHWSA-N	200.282	0.280	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@@H](C)OCC1CC1	161288084	COQGBPZGWLCIAT-MWLCHTKSSA-N	245.319	0.315	70	20	BCID	
NC(=O)CC1CCN(CCn2ccnc2)CC1	159753073	BTIJPEJETZBHHW-UHFFFAOYSA-N	236.319	0.471	70	20	BCID	
C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H](N)C1	160271122	IVQLYNAGERYPCL-MXWKQRLJSA-N	242.319	0.130	70	20	BCID	
CO[C@@H](C)C(=O)N1CCCC[C@@H]1CCO	160527457	DPRKMYRTOPPVMA-VHSXEESVSA-N	215.293	0.785	70	20	BCID	
COC(=O)CN(C[C@@H](C)OC)C(C)C	160649420	NLWXWKMKACAZFA-SECBINFHSA-N	203.282	0.905	70	20	BCID	
C[C@H]1OCC[C@@H]1C(=O)NC1(CO)CCC1	161405147	KYDVCVCIRPUVGE-BDAKNGLRSA-N	213.277	0.443	70	20	BCID	
CC[C@H]1COCCN1S(=O)(=O)Cl	59379118	MTVYCRXZEVLMGQ-LURJTMIESA-N	213.686	0.581	70	20	BCID	
C[C@H]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1	160179864	IEOGSXQFYBDRLW-JGVFFNPUSA-N	222.292	0.921	70	20	BCID	
CC[C@H](CCO)CNC(=O)[C@H](C)OC	160834047	XIMDZRXHMVENSX-DTWKUNHWSA-N	203.282	0.546	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCS2)C1	159559466	UGPWFJDUPYPLSQ-UWVGGRQHSA-N	242.344	0.619	70	20	BCID	
CCC[C@H](O)CNC(=O)N[C@H]1CCOC1	159563522	VYWBPWSZBMASPM-IUCAKERBSA-N	216.281	0.236	70	20	BCID	
CC[C@@H]1CCC[C@H]1NC(=O)CSCC(N)=O	159687390	MGJVUZLEBDYDFX-RKDXNWHRSA-N	244.360	0.900	70	20	BCID	
CC(C)[C@@H](O)CCNC(=O)[C@@H]1CCCNC1	160898566	OBQIALYKXLEFNK-MNOVXSKESA-N	228.336	0.509	70	20	BCID	
COCC(C)(C)C(=O)N1CCC(CO)CC1	160611656	HJCKCNQVWYPVBC-UHFFFAOYSA-N	229.320	0.890	70	20	BCID	
COCC(C)(C)C(=O)NCCNC(=O)C1CC1	159474455	NKRMEINLOBQOIU-UHFFFAOYSA-N	242.319	0.301	70	20	BCID	
CN(CC(=O)NCCCN)Cc1ccccc1	160173257	AFKDKXZWCMEKRM-UHFFFAOYSA-N	235.331	0.583	70	20	BCID	
C[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	161106253	IBQVBHJCRMRAIH-XAVMHZPKSA-N	212.293	0.263	70	20	BCID	
C[C@@H](O)CN(C)[C@@H]1CCN(C2CC2)C1=O	159509904	HXJUYUNYVIQHNA-PSASIEDQSA-N	212.293	0.062	70	20	BCID	
O=C(NCCn1ccnc1)[C@H]1CCCCO1	160022932	MJNSEJUTTCOXEC-SNVBAGLBSA-N	223.276	0.568	70	20	BCID	
O=C(NCC(=O)N1CCCC1)[C@@H]1CCCCO1	160556751	GVCAWEUZINVBTJ-JTQLQIEISA-N	240.303	0.294	70	20	BCID	
Cn1cc(OCc2nnc3n2CCCC3)cn1	217323347	LBWMKGIQCKCSBX-UHFFFAOYSA-N	233.275	0.927	70	20	BCID	
O=C(/C=C/c1cncc(O)c1)N[C@@H]1CCC[C@H]1O	161458447	RCBHZRVEIHAZNG-GKUNOOHESA-N	248.282	0.830	70	20	BCID	
Cc1c(C(=O)NOCc2cccnc2)cnn1C	160780594	KOLRXBVUSCXLNY-UHFFFAOYSA-N	246.270	0.985	70	20	BCID	
CCC(C)(CC)C(=O)N[C@@H](C)C(N)=O	159461598	PHQIIWUACMGXED-ZETCQYMHSA-N	200.282	0.803	70	20	BCID	
COC[C@H](O)CCNC(=O)CC1(O)CCCC1	160811748	OVWADNRYZGXAOV-SNVBAGLBSA-N	245.319	0.195	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)Cc1cc(C)[nH]n1	161388079	SMRVGAPAXZWHRJ-NSHDSACASA-N	236.319	0.471	70	20	BCID	
CCC[C@H](C(=O)O)S(=O)(=O)Cl	147338914	GOKBRRCWWRNQSO-SCSAIBSYSA-N	200.643	0.808	70	20	BCID	
CC(=O)N[C@@H]1CCN(CCC(C)(C)O)C1	160320144	MGLDZQHSSVVQFF-SNVBAGLBSA-N	214.309	0.358	70	20	BCID	
CSCC[C@@H](N)C(=O)N(C)CC[C@@H](C)O	160923594	AXCVCDRPBBYFFB-RKDXNWHRSA-N	234.365	0.296	70	20	BCID	
CCOC[C@@H](O)CN[C@@H](CC)CCO	217816333	BERMDOCNNYYSRG-UWVGGRQHSA-N	205.298	0.134	70	20	BCID	
COC(=O)CCCN1CC[C@@H](NC(C)=O)C1	160288768	HBWQFFCYZKLDKN-SNVBAGLBSA-N	228.292	0.150	70	20	BCID	
O=C(CCc1ccsc1)N1CC(O)C1	161457032	FKVDCOXMQSUYFT-UHFFFAOYSA-N	211.286	0.884	70	20	BCID	
COC[C@@H](O)CNC(=O)CCOCC(C)C	159473979	BPEJVEPGLXQKJK-JTQLQIEISA-N	233.308	0.173	70	20	BCID	
Nc1ncn(CC(=O)N2C[C@H]3CCC[C@@H]3C2)n1	159517776	GRZMWZOBOGZNGU-RKDXNWHRSA-N	235.291	0.119	70	20	BCID	
Cn1nnc2cc(C(=O)N3CCCCC3)cnc21	159856833	VXHXDDGNYWSLDY-UHFFFAOYSA-N	245.286	0.989	70	20	BCID	
CSC[C@@H](C)C(=O)N(C)[C@H](C)CO	160448851	UTUVFPBBKIEGQL-HTQZYQBOSA-N	205.323	0.825	70	20	BCID	
COCCN(CCO)CCCN1CCCCC1	160857037	QCOVHKOGAGLWMR-UHFFFAOYSA-N	244.379	0.803	70	20	BCID	
C[C@H]1CSCCN1C(=O)c1ccc(=O)[nH]n1	217614812	CQDSKMLNWKEPOL-ZETCQYMHSA-N	239.300	0.347	70	20	BCID	
CC(C)C[C@H](O)CNCc1ccnn1C	218250605	MYZIWHWZDKHPKN-NSHDSACASA-N	211.309	0.917	70	20	BCID	
CCCN1CCCN(C(=O)COC)CC1	160360440	OFXTXZGZOBNWGF-UHFFFAOYSA-N	214.309	0.577	70	20	BCID	
CCC(=O)N1CC[C@H](C(=O)Nc2ccn[nH]2)C1	161063537	ZFXSQMOMWNKAOY-QMMMGPOBSA-N	236.275	0.607	70	20	BCID	
O=C(C(F)F)N1CCN(c2ccccn2)CC1	217639458	DXNXRNGZAALVFN-UHFFFAOYSA-N	241.241	0.995	70	20	BCID	
Cc1nccn1CCS(=O)(=O)Cl	157447643	SJHRXPVUUBUUBP-UHFFFAOYSA-N	208.670	0.760	70	20	BCID	
C[C@H](CO)N(C)C(=O)CNC(=O)OC(C)(C)C	160438566	ZPRCOXDPZHJGQF-MRVPVSSYSA-N	246.307	0.350	70	20	BCID	
CC[C@H](NC(=O)C(F)(F)F)C(=O)NC	217351196	GILFRXIMGXRVBG-BYPYZUCNSA-N	212.171	0.190	70	20	BCID	
O=C(C(=O)N1CC[C@H](O)C1)c1ccc(O)cc1	217345199	UFDGTCYEXONXCZ-JTQLQIEISA-N	235.239	0.168	70	20	BCID	
CC(C)OCC(=O)N1CC[C@@H](CCN)C1	159994430	ORNHSCJPBVOVPH-SNVBAGLBSA-N	214.309	0.609	70	20	BCID	
CCCCN(C)C(=O)[C@H](N)C(=O)OCC	160041704	LVSLAXGPGHCXOU-QMMMGPOBSA-N	216.281	0.135	70	20	BCID	
O=c1ccc(C2CC2)nn1CCS(=O)(=O)F	883953985	UPAAJGCCCUJRGM-UHFFFAOYSA-N	246.263	0.420	70	20	BCID	
Cn1cnc(CNC(=N)NC(C)(C)C)n1	218733618	BJJTYXZQNWMMSM-UHFFFAOYSA-N	210.285	0.228	70	20	BCID	
COCCC1(CNC(=O)NCC(C)(C)O)CC1	161019873	PQSXXPAYTKLXLT-UHFFFAOYSA-N	244.335	0.873	70	20	BCID	
CCOC1CCN(C(=O)N[C@@H]2CCOC2)CC1	159377034	CAUOAPSXDCIHBB-SNVBAGLBSA-N	242.319	0.986	70	20	BCID	
CCCNS(=O)(=O)N[C@H]1CCCC[C@@H]1O	160676301	KLOHHEQCOMWIBZ-IUCAKERBSA-N	236.337	0.124	70	20	BCID	
C[C@H]1C(=O)NCCN1CCCN1CCCCC1	161319879	FYMNAUZHNCKZLW-LBPRGKRZSA-N	239.363	0.683	70	20	BCID	
Cc1noc(C)c1CN1C(=O)CNC1=O	217358826	RWPHTGLPCFORKM-UHFFFAOYSA-N	209.205	0.343	70	20	BCID	
Cn1c(C(=O)NCc2nccs2)cccc1=O	159706585	LFKBQYRKPQPVKG-UHFFFAOYSA-N	249.295	0.772	70	20	BCID	
CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](N)CCSC	159817407	ZJCKRIDUGOEVPG-GUBZILKMSA-N	248.392	0.590	70	20	BCID	
Cn1c(C(=O)N2CCSCC2)cccc1=O	159953498	RKYKUPPYZBAGJU-UHFFFAOYSA-N	238.312	0.574	70	20	BCID	
COCc1ccc(C(=O)N2CCC[C@@H]2CN)o1	160164842	XQXSLQZHOCKOAG-SECBINFHSA-N	238.287	0.989	70	20	BCID	
CCCC1(CNC(=O)CS(=O)(=O)NC)CC1	160494173	PTGOKJNRPFDXNW-UHFFFAOYSA-N	248.348	0.232	70	20	BCID	
CN[C@@H]1CCN(C(=O)[C@H](C)COC)C1	160582875	BZVBCBWASKJMSU-RKDXNWHRSA-N	200.282	0.089	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)c2cnns2)C1	161286306	ZSTXXYCRBPODDJ-RNFRBKRXSA-N	226.305	0.538	70	20	BCID	
CCOC(=O)CCCNC(=O)C(F)F	217646147	DGHNNZBLXUMYQF-UHFFFAOYSA-N	209.192	0.711	70	20	BCID	
CC[C@H](O)CCN[C@@H]1CCC[C@@H]1CN	218765114	BABLUMCRSHSHSG-OUAUKWLOSA-N	200.326	0.864	70	20	BCID	
NC(=O)[C@H]1CCCN1C(=O)CCCn1cccc1	159390770	JZMZOAZNXPYPIR-LLVKDONJSA-N	249.314	0.745	70	20	BCID	
COCCN(CCO)C(=O)c1ccoc1	160340077	HODGWBFYAWJCSP-UHFFFAOYSA-N	213.233	0.361	70	20	BCID	
CCCCOC(=O)CS(=O)(=O)Cl	59213253	IDSBTFDTGVXWBR-UHFFFAOYSA-N	214.670	0.898	70	20	BCID	
COCCNC(=S)NC[C@H](C)SC	159574791	AXSMTBYKSYNRCG-ZETCQYMHSA-N	222.379	0.848	70	20	BCID	
CNC[C@H](C)CNC(=O)[C@@H]1CCCCO1	160137766	PYZZSWLNDRDQFT-UWVGGRQHSA-N	214.309	0.527	70	20	BCID	
CCOC(=O)N1CCN(C(=O)C(F)F)CC1	217622923	ZPNUGOGUVPODJI-UHFFFAOYSA-N	236.218	0.552	70	20	BCID	
CC[C@@H](CO)NC(=O)c1cncs1	217851865	ZWIVDBNWSWTGOH-LURJTMIESA-N	200.263	0.644	70	20	BCID	
O=C1C[C@@H](C(=O)Nc2ccncc2)CCN1	159606333	TYPUZHILNQODPI-QMMMGPOBSA-N	219.244	0.546	70	20	BCID	
CCc1nc(CN2CC[C@@H]([C@@H](C)O)C2)n[nH]1	160718257	DCOIVCQTFBHQRP-RKDXNWHRSA-N	224.308	0.570	70	20	BCID	
Cn1ccnc1CN1CCC[C@H]1C(=O)NC1CC1	160761008	XEGYPYKGXRGKOP-NSHDSACASA-N	248.330	0.663	70	20	BCID	
C[C@@H]1CCN(C(=O)c2nnc[nH]2)C[C@@H]1C	161019502	QIXOMUKVJWFXRE-SFYZADRCSA-N	208.265	0.923	70	20	BCID	
COC[C@@H](O)CCNC(=O)C1(C)CC1	161020151	ISSGZZWSXXNVFK-QMMMGPOBSA-N	201.266	0.300	70	20	BCID	
CC[C@H](CCO)NC(=O)CCC(C)=O	217976739	KDMLQXZTPAILQF-SECBINFHSA-N	201.266	0.633	70	20	BCID	
O=c1cccc(Cl)n1CCS(=O)(=O)F	883953459	WMPLQDDCAYLTJL-UHFFFAOYSA-N	239.655	0.801	70	20	BCID	
COC(=O)CCNC(=O)[C@H]1CCC(=O)C[C@H]1C	159698918	QWFVBNNKCIZAOG-SCZZXKLOSA-N	241.287	0.671	70	20	BCID	
COC(=O)Cc1cccc(NC(=O)CCN)c1	159642398	JSUAWLBUEUPLCS-UHFFFAOYSA-N	236.271	0.689	70	20	BCID	
CCN1CCC(NC(=O)c2cc[nH]c(=O)c2)CC1	159584011	DXYIENQORWOWGT-UHFFFAOYSA-N	249.314	0.589	70	20	BCID	
Cc1cccnc1CNC(=O)N[C@@H]1CCOC1	159388525	MILGTSXQUDVTPD-SNVBAGLBSA-N	235.287	0.978	70	20	BCID	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NCCO)C1	159425790	LHFLQRYXFBLYSF-RKDXNWHRSA-N	229.276	0.074	70	20	BCID	
CCOCCO[C@@H](C)C(=O)N(C)[C@H](C)CO	160476509	MFBIUFYAZINVAI-ZJUUUORDSA-N	233.308	0.267	70	20	BCID	
CCN(CC(C)(C)O)C(=O)[C@@H](C)OC	160808630	MWCLTISRSVVUNJ-MRVPVSSYSA-N	203.282	0.641	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@@H](C)OC	160942422	XSVYSFFLURJAQX-MRVPVSSYSA-N	202.298	0.655	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1	160988051	XNWJEIABCDMLIJ-BBBLOLIVSA-N	212.293	0.409	70	20	BCID	
CCOC[C@H](O)CN[C@H]1CCCSC1	161271577	AJEAVUNBJPWJSV-VHSXEESVSA-N	219.350	0.869	70	20	BCID	
CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)Cl	104742631	BUISJLHRUWWMJQ-BQBZGAKWSA-N	227.713	0.969	70	20	BCID	
CC(C)CNC(=S)NCc1ncn(C)n1	218738235	FRTHFLLBAWQHPZ-UHFFFAOYSA-N	227.337	0.435	70	20	BCID	
COC(=O)Cc1cccc(NC(=O)[C@H](C)N)c1	159642261	FQZYAEGKSJKQQW-QMMMGPOBSA-N	236.271	0.688	70	20	BCID	
O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CCCO1	160284933	BVJBGEUYWHRLMZ-OPRDCNLKSA-N	213.277	0.585	70	20	BCID	
C[C@@H](N)C(=O)NCc1ncc(C(C)(C)C)o1	160637787	XXMDXMKGYNNANZ-SSDOTTSWSA-N	225.292	0.936	70	20	BCID	
CC(C)(CCO)NC(=O)[C@H]1CCOC1	160770732	UMNSUQXVYRSRJU-QMMMGPOBSA-N	201.266	0.300	70	20	BCID	
CC[C@@H](CSC)NC(=O)[C@@H](N)CCOC	217332301	XGOMECNCGGZJSW-IUCAKERBSA-N	234.365	0.608	70	20	BCID	
COC(=O)[C@@H](NC(=O)[C@@H](C)N)C(C)(C)C	159908410	XHIYDNPJGWOFLW-RNFRBKRXSA-N	216.281	0.038	70	20	BCID	
CCOCCCN1CCS(=O)(=O)CC1	160403939	OGFZTSIPVKGOJJ-UHFFFAOYSA-N	221.322	0.143	70	20	BCID	
CCC[C@H](O)CNC(=O)[C@@H]1CCN[C@@H]1C	217965785	DZYHONPPTJKILR-KXUCPTDWSA-N	214.309	0.262	70	20	BCID	
O=C1CCCN1CCS(=O)(=O)Cl	306471607	ZNBXMGQFXPTVTJ-UHFFFAOYSA-N	211.670	0.177	70	20	BCID	
O=C1COc2cc(OS(=O)(=O)F)ccc21	1887503951	FNUYEGNRXBAQTK-UHFFFAOYSA-N	232.188	0.855	70	20	BCID	
CCCCOCCNC(=O)[C@H](C)OC	160565061	UKYJMBYFDMFEBM-VIFPVBQESA-N	203.282	0.954	70	20	BCID	
CCC[C@H](O)CN[C@@H]1CCC[C@@H]1CN	217743362	JLSNINDNEPTXLR-OUAUKWLOSA-N	200.326	0.864	70	20	BCID	
CCCNS(=O)(=O)N(C)CC(C)(C)CN	160921155	ZEKVXFHQUWCICX-UHFFFAOYSA-N	237.369	0.148	70	20	BCID	
C[C@H](CCCO)NC(=O)c1ccn(C)n1	217868615	NLRYRCMPVOPQID-MRVPVSSYSA-N	211.265	0.311	70	20	BCID	
C[C@@]1(C(=O)N2CCOCC2)CCCCN1	159549038	RDAYDNJAWCROHB-NSHDSACASA-N	212.293	0.377	70	20	BCID	
CC(C)[C@@H](C(=O)N(C)CC[C@H](C)O)N(C)C	159953435	SIEPHUSWZMDEGS-QWRGUYRKSA-N	230.352	0.802	70	20	BCID	
COc1cccnc1NCC(=O)N(C)C	160202607	QMIOQIFRKLCHBF-UHFFFAOYSA-N	209.249	0.590	70	20	BCID	
CCCC[C@@H](C(=O)OC)N1CCNC(=O)C1	160591238	KFRPWHFSUDPABS-VIFPVBQESA-N	228.292	0.150	70	20	BCID	
C[C@]1(O)CCCN(C(=O)c2cnc[nH]2)C1	161040488	UTVVWLKZPAJAHW-JTQLQIEISA-N	209.249	0.397	70	20	BCID	
CCCC[C@@H](COC)NC(=O)[C@@H]1CSCN1	161163552	RRYIJYRCYDPKFS-UWVGGRQHSA-N	246.376	0.970	70	20	BCID	
CC[C@@H](CCO)NC(=O)[C@@H](N)C(C)(C)C	217923844	PQSVOSJKKJAZDE-DTWKUNHWSA-N	216.325	0.637	70	20	BCID	
COC(=O)[C@H](C)N1CC[C@H]([C@@H](C)N)C1	160603671	PACGEABSSVQHPJ-VGMNWLOBSA-N	200.282	0.217	70	20	BCID	
NC(=O)NC(=O)CCn1ccc2occc2c1=O	161401613	JWBICDVKWAYEIK-UHFFFAOYSA-N	249.226	0.180	70	20	BCID	
C[C@@H](N)C(=O)N[C@H]1CCN2CCCC[C@@H]12	217807231	SZPAPAYGOCOIHD-UTLUCORTSA-N	211.309	0.077	70	20	BCID	
CC[C@@H](CO)NC(=O)C(F)(F)C(F)F	217850886	GFJYGHYKMPOPFN-BYPYZUCNSA-N	217.162	0.774	70	20	BCID	
CS[C@H](C)C(=O)N(CC(N)=O)CC(C)C	159720027	CGMQTAOXBPSRCK-MRVPVSSYSA-N	232.349	0.708	70	20	BCID	
COC(=O)CN1c2ccccc2C[C@H]1C(N)=O	159848640	MJEHSDYPMGKQOC-JTQLQIEISA-N	234.255	0.076	70	20	BCID	
CSCCN(C)C(=O)[C@@H]1CSCN1	160014912	RQUSZCYLMNOXGU-ZETCQYMHSA-N	220.363	0.470	70	20	BCID	
CCc1ncsc1C(=O)NS(C)(=O)=O	160018504	ILPADDIPVNFEAJ-UHFFFAOYSA-N	234.302	0.395	70	20	BCID	
CO[C@H](C)C(=O)NCCCCN(C)C	160565339	FPNYTKVRGBNSBS-SECBINFHSA-N	202.298	0.479	70	20	BCID	
Cn1ccnc1CN(CC(N)=O)C1CCCC1	160792614	AUZIFNJJWHPSFA-UHFFFAOYSA-N	236.319	0.650	70	20	BCID	
C[C@@H]1CC[C@@H](C)N1C(=O)Cn1cnnn1	161428321	FBDDLGLNLCUIBX-HTQZYQBOSA-N	209.253	0.073	70	20	BCID	
CC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1	217965950	FIRKEMUNTITUET-CQSZACIVSA-N	248.326	0.760	70	20	BCID	
CC(C)(CS(=O)(=O)Cl)C(=O)O	118810302	ZTJNIXUKNKJEPU-UHFFFAOYSA-N	200.643	0.666	70	20	BCID	
CCNC(=O)CN(C)CCOCC1CC1	159391396	OAMJBEFZLPWNQM-UHFFFAOYSA-N	214.309	0.481	70	20	BCID	
CCCNC(=O)CNC(=O)c1[nH]c(C)cc1C	159480768	XNSRDCSZWGKSOA-UHFFFAOYSA-N	237.303	0.888	70	20	BCID	
CC(C)OC(=O)CCCNC(=O)N(C)CCO	160184142	OZVGIIQNWLDSGR-UHFFFAOYSA-N	246.307	0.352	70	20	BCID	
Cc1cnccc1CNC(=O)[C@@H](C)CN	160603933	UCZHZRCQLAKZSJ-QMMMGPOBSA-N	207.277	0.601	70	20	BCID	
CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CCCNC1	160802141	IXJQXHAPGLXDCV-NXEZZACHSA-N	242.319	0.301	70	20	BCID	
C[C@H](N)C(=O)N[C@@H]1CCN2CCCC[C@@H]12	217807141	SZPAPAYGOCOIHD-AEJSXWLSSA-N	211.309	0.077	70	20	BCID	
Cc1noc(CN2CC[C@@H](N)C[C@H]2C)n1	218610193	LVYMKIRHNQKENC-VXNVDRBHSA-N	210.281	0.690	70	20	BCID	
CC(C)(C)S(=O)(=O)CCCS(=O)(=O)F	253179385	AWEJXKYADWHJLW-UHFFFAOYSA-N	246.325	0.889	70	20	BCID	
COCCN(C)C(=O)[C@@]1(C)CCCCN1	159561829	CIYYHZYHCANRDS-LLVKDONJSA-N	214.309	0.623	70	20	BCID	
COC(=O)[C@H](C)NC(=O)c1ocnc1C	159606465	XKKVWHUUGZDEGH-LURJTMIESA-N	212.205	0.274	70	20	BCID	
Cc1cc(N[C@@H]2CCN(C)C2=O)nn1C	159609359	WNHNPVFSEGLCCN-MRVPVSSYSA-N	208.265	0.371	70	20	BCID	
CCCCOCC(=O)NC[C@@H](C)CO	160480794	KKTPTVCUEFIEPZ-SECBINFHSA-N	203.282	0.548	70	20	BCID	
CC[C@](C)(O)CN(C)CC(=O)NC1CC1	160484756	VGEKMGDFIACYSS-NSHDSACASA-N	214.309	0.358	70	20	BCID	
CCOC(C)(C)CNC(=O)c1ccc(=O)[nH]n1	217852728	WZMKTLCFYTXXPA-UHFFFAOYSA-N	239.275	0.315	70	20	BCID	
CC[C@H](CSC)NC(=O)Cn1cnc(N)n1	217326004	VLUVLQXNRIVYHT-SSDOTTSWSA-N	243.336	0.118	70	20	BCID	
CCc1ncnc(NCc2nncn2C)c1F	217966473	XPLPYGQVVDABPK-UHFFFAOYSA-N	236.254	0.919	70	20	BCID	
COC(=O)[C@H](C)N(C)CC(OC)OC	218166122	DGBODHYQJZCBKI-ZETCQYMHSA-N	205.254	0.099	70	20	BCID	
CN1CCCN(C(=O)N[C@H]2CCOC2)CC1	159547008	ZASOWUXFRRKSIQ-JTQLQIEISA-N	227.308	0.122	70	20	BCID	
CO[C@@H](C)C(=O)NCC1CCNCC1	160919244	MCWSMXYXJBSJLW-QMMMGPOBSA-N	200.282	0.137	70	20	BCID	
NCC(=O)NCc1nc(C(F)(F)F)cs1	161002521	CXLAOLFCIFGEFA-UHFFFAOYSA-N	239.222	0.737	70	20	BCID	
C[C@H]1CO[C@H](C)CN1C(=O)[C@H]1CCNC1	218253777	FSEFLLAKFPOVLP-AEJSXWLSSA-N	212.293	0.232	70	20	BCID	
CN(CCN1CCCC1)C(=O)N[C@H]1CCOC1	159456571	AGUOBALFNBVMDU-NSHDSACASA-N	241.335	0.513	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2C2CC2)C1	159856606	RZXLKWGRQXZFGK-TUAOUCFPSA-N	236.315	0.770	70	20	BCID	
CC(C)C[C@@H](CO)NC(=O)c1cocn1	160948294	IBKGDDMTCPGVQL-QMMMGPOBSA-N	212.249	0.811	70	20	BCID	
CCOCC(=O)N[C@H](CCO)C(C)C	160698644	PBRABHQXSIMAOQ-SECBINFHSA-N	203.282	0.546	70	20	BCID	
C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H](N)C(C)(C)C	160570383	PYEJAIWKARGOHI-OPRDCNLKSA-N	230.352	0.883	70	20	BCID	
O=C(/C=C/C1CCOCC1)N1CCNCC1	159452575	UAGRAMNIXBIWBI-OWOJBTEDSA-N	224.304	0.401	70	20	BCID	
CC(C)[C@@H](O)CCNC(=O)C(C)(C)N	160897287	CEAAGGGXPDVESR-QMMMGPOBSA-N	202.298	0.247	70	20	BCID	
C[C@H](O)CCNC(=O)[C@]1(C)CCCCN1	159564046	OGUROWWFYZHMRN-ONGXEEELSA-N	214.309	0.406	70	20	BCID	
CCOC1CCN(S(=O)(=O)Cl)CC1	103909485	BPFVLNMFCZSWNT-UHFFFAOYSA-N	227.713	0.971	70	20	BCID	
O=C(NOCc1cccnc1)NC1CC1	160984104	YJAKEWPOHQGSIL-UHFFFAOYSA-N	207.233	0.975	70	20	BCID	
O=C(NCc1ccon1)N[C@@H]1CCOC1	159419061	LSGZHYOANFVUMK-MRVPVSSYSA-N	211.221	0.263	70	20	BCID	
NC(=O)CN1CCO[C@@]2(CCc3ccccc32)C1	159614536	LUOBJIKJNDXGAH-AWEZNQCLSA-N	246.310	0.646	70	20	BCID	
CCC[C@H](O)CNC(=O)[C@H](N)CCSC	159763074	PYXGSBODHYEKGM-DTWKUNHWSA-N	234.365	0.344	70	20	BCID	
CCCNC(=O)CN(CC)Cc1cnn(C)c1	161076702	DLBPSFQOBAWMPF-UHFFFAOYSA-N	238.335	0.768	70	20	BCID	
C[C@@H]1CN(C(=O)[C@]2(C)CCCNC2)CCN1	161277934	YUBQWFBHPXTYGB-ZYHUDNBSSA-N	225.336	0.196	70	20	BCID	
C[C@]1(Nc2nccn3cnnc23)CCOC1	161426330	BKFFUHKGWZBYES-JTQLQIEISA-N	219.248	0.715	70	20	BCID	
CC(C)C(=O)NCCNC(=O)C(F)F	217644603	FPLWCRDKBNGFKD-UHFFFAOYSA-N	208.208	0.140	70	20	BCID	
CCN1CCN(C(=S)NCCOC)C[C@@H]1C	159746736	YJQYRSXGRUNFHA-JTQLQIEISA-N	245.392	0.533	70	20	BCID	
CC1(O)CCN(C(=O)CCCCO)CC1	160889371	ZXFDHUWQSGXJCE-UHFFFAOYSA-N	215.293	0.522	70	20	BCID	
CN(CCN1CCCC1)CC(=O)N(C)C	161258870	FSWLRHKOQPLPBB-UHFFFAOYSA-N	213.325	0.102	70	20	BCID	
O=S(=O)(F)CCn1cnc(Cl)n1	883953854	NOAMZFSUIXYOSF-UHFFFAOYSA-N	213.621	0.231	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@@H](C)CSC	160966128	JRTNJRHIRWBSKB-DTWKUNHWSA-N	235.349	0.499	70	20	BCID	
CN(C)C(=O)CN(C)[C@H]1CCCC[C@@H]1O	160769679	NGJYBOVCVMNTFB-UWVGGRQHSA-N	214.309	0.310	70	20	BCID	
CCCNS(=O)(=O)N1CCC[C@@](C)(O)C1	160753329	IOOLCLUBZIGQSO-SECBINFHSA-N	236.337	0.078	70	20	BCID	
CNCC(=O)NC[C@@H](C)Oc1cccc(F)c1	161147711	ZFOYUUSXFMOPSK-SECBINFHSA-N	240.278	0.929	70	20	BCID	
CCN(CC)CCCNC(=O)N[C@@H]1CCOC1	159439472	MCNFFJJSSIAZJZ-LLVKDONJSA-N	243.351	0.806	70	20	BCID	
CCC[C@H](O)CNC(=O)N[C@@H]1CCOC1	159563240	VYWBPWSZBMASPM-BDAKNGLRSA-N	216.281	0.236	70	20	BCID	
CC(C)c1ccc(C(=O)N[C@@H](C)C(N)=O)cn1	160311975	XPZKPSVRBPFPMM-QMMMGPOBSA-N	235.287	0.809	70	20	BCID	
NC(=O)CONC(=O)c1ccc(F)c(F)c1	160699242	JCUQQHBIFOPDPU-UHFFFAOYSA-N	230.170	0.112	70	20	BCID	
CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H](N)CCSC	159817298	ZJCKRIDUGOEVPG-UTLUCORTSA-N	248.392	0.590	70	20	BCID	
O=C(CC[C@H]1CCCO1)NC1(CO)CC1	159913039	HVROWDJKKWNBAG-SECBINFHSA-N	213.277	0.587	70	20	BCID	
C[C@@H](C(=O)N(C)C)N1CC[C@H](CCN)C1	160065648	GSXOCLCQCYJLDV-UWVGGRQHSA-N	213.325	0.134	70	20	BCID	
C[C@H](CC(N)=O)NCc1ccc(CO)o1	160800113	RUROXUKLWLMXJH-SSDOTTSWSA-N	212.249	0.125	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)CCOC(C)C	159730812	ZSOPTOGZHLUYGG-UHFFFAOYSA-N	244.335	0.771	70	20	BCID	
CC(C)[C@H]1C(=O)NCCN1CCOCC1CC1	160449265	OEUXGCJAEAGDDQ-LBPRGKRZSA-N	240.347	0.869	70	20	BCID	
CC[C@H](CCO)N[C@H]1CCCNC(=O)C1	217801895	KRYPNADGEKJRGJ-ZJUUUORDSA-N	214.309	0.406	70	20	BCID	
CO[C@@H](C)CCC(=O)NC1CCNCC1	159745222	MCFWLHVHRZNDLD-VIFPVBQESA-N	214.309	0.670	70	20	BCID	
O=C(NCCCO)c1cccc(-c2ncn[nH]2)c1	159815519	RVHAKACIMYUWEK-UHFFFAOYSA-N	246.270	0.584	70	20	BCID	
CCNC(=O)CNC(=O)[C@@H]1C[C@]1(C)CC	159968985	ZLZYWDXXFVOCKA-KWQFWETISA-N	212.293	0.675	70	20	BCID	
CC(=O)Nc1ccc(CN2CCNC(=O)C2)cc1	160494272	BZYJEJOEMCWFJX-UHFFFAOYSA-N	247.298	0.577	70	20	BCID	
CC(C)N(C)C(=O)[C@H](C)N(C)C[C@@H](C)O	159438512	OHWKFVUBQBBHNM-ZJUUUORDSA-N	216.325	0.554	70	20	BCID	
C[C@H]1COCCN1C(=O)N[C@H]1CCOC1	159451677	WPWVCEYOYVQWGZ-IUCAKERBSA-N	214.265	0.206	70	20	BCID	
COC(=O)[C@H](c1cccnc1)N(C)C[C@H](C)O	159494213	KMQSXHFWPXPZDE-ONGXEEELSA-N	238.287	0.608	70	20	BCID	
Cc1nsc(NC(=O)[C@@H]2CCCO2)n1	159557494	XYQQZAAORZACLM-LURJTMIESA-N	213.262	0.964	70	20	BCID	
C[C@]1(C(=O)NCCCCN)CCCCN1	159592183	IHJJMSVXLXTLAZ-LLVKDONJSA-N	213.325	0.374	70	20	BCID	
C[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C[C@@H](C)O	160570254	PYEJAIWKARGOHI-IVZWLZJFSA-N	230.352	0.883	70	20	BCID	
Cn1cc(CN2CCC3(C2)OCCO3)cn1	160614390	GYFFYOCZLTWINF-UHFFFAOYSA-N	223.276	0.369	70	20	BCID	
CCOCCCNC(=O)NCC[C@H](O)CC	160665601	MDHYHDJWJGUCAJ-SNVBAGLBSA-N	232.324	0.873	70	20	BCID	
C[C@H]1CCN(CCCS(N)(=O)=O)C[C@@H]1C	160981326	CBZWMVOSLVJBHM-UWVGGRQHSA-N	234.365	0.643	70	20	BCID	
COCCOCCOc1cnn(C)c1	161356710	OHHGGHDIZCBIIZ-UHFFFAOYSA-N	200.238	0.462	70	20	BCID	
N=C(N)NCCOc1ncccc1C(F)(F)F	160393368	XIWLVRGMFSPQSP-UHFFFAOYSA-N	248.208	0.962	70	20	BCID	
Cc1nccc(C(=O)NC[C@H](C)CO)n1	160469881	VBWDAWMXBDPNMB-ZETCQYMHSA-N	209.249	0.143	70	20	BCID	
O=C(NCCCn1ccnc1)[C@@H]1CCCCO1	160940185	XGFSFAKNNCZHLC-NSHDSACASA-N	237.303	0.959	70	20	BCID	
NC[C@@H]1CCCN1C(=O)CC[C@H]1CCOC1	160294515	ASLYLLDQPBYXPN-QWRGUYRKSA-N	226.320	0.753	70	20	BCID	
Cc1cnccc1CNCCS(C)(=O)=O	160611815	QLPKOELLRJAUQD-UHFFFAOYSA-N	228.317	0.524	70	20	BCID	
CC[C@](C)(O)CN(C)C[C@@H](C)C(=O)NC	161395741	VOLYCBQSMGIPJN-KOLCDFICSA-N	216.325	0.461	70	20	BCID	
CCN(C)C(=O)CN[C@H]1CCCN(C)C1	217377699	DIIUMXDUOSWKBU-JTQLQIEISA-N	213.325	0.149	70	20	BCID	
C[C@](CO)(NCCCO)c1ccccc1	161222123	LWSSZDRQPXKLEM-GFCCVEGCSA-N	209.289	0.866	70	20	BCID	
CCO[C@@H]1C[C@H](NC(=O)CNC)C12CCC2	160992188	QIAMTADRUDLLPN-VHSXEESVSA-N	226.320	0.670	70	20	BCID	
CC(C)S(=O)(=O)CCCN1CCC[C@H](N)C1	217937817	QERMIRKEFRPCGW-NSHDSACASA-N	248.392	0.623	70	20	BCID	
CCO[C@@H](C)C(=O)N[C@H](CO)CC(C)C	160918969	ATWJGKAONZQYCB-UWVGGRQHSA-N	217.309	0.935	70	20	BCID	
CCOC(=O)C[C@@H](O)CS[C@H](C)CO	161073090	CNVPZDCASNNAPA-HTQZYQBOSA-N	222.306	0.415	70	20	BCID	
CN(CC#N)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1519147820	WOKJCROUSSKTHO-UHFFFAOYSA-N	245.235	0.268	70	20	BCID	
CC[C@@](C)(O)CNS(=O)(=O)[C@H](C)COC	160308327	GEEWPLJFSPTTHD-RKDXNWHRSA-N	239.337	0.102	70	20	BCID	
CCN(CCN[C@H](C)[C@@H](C)O)C1CC1	218329584	LVFMEGDWZMWUJQ-NXEZZACHSA-N	200.326	0.830	70	20	BCID	
COCC(C)(C)C(=O)NCC(=O)N1CCCC1	161306443	YXGNFAICYRGAOB-UHFFFAOYSA-N	242.319	0.398	70	20	BCID	
CCNC(=O)CN(CC)C(=O)CO[C@H](C)CC	160005481	GRQBECMHCNAONX-SNVBAGLBSA-N	244.335	0.786	70	20	BCID	
CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCOC1	159448216	VNPOMKDWAOLHDQ-MNOVXSKESA-N	242.319	0.986	70	20	BCID	
O=S(=O)(Cl)CCOC[C@@H]1CCCO1	112155236	OOJKCHZCZAFLIG-ZETCQYMHSA-N	228.697	0.751	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnn(C)c1	160427582	ROMCNNSBYSKIIV-MRVPVSSYSA-N	239.275	0.492	70	20	BCID	
Cc1cc(C(=O)NC(C)(C)CCO)no1	160776995	LTTIOTHOGSIZRV-UHFFFAOYSA-N	212.249	0.874	70	20	BCID	
CC[C@H](C)OCC(=O)NC[C@@H]1CCOC1	161105561	PGUYEMBPHDQVOV-UWVGGRQHSA-N	215.293	0.954	70	20	BCID	
C[C@@H](C(N)=O)N1CCN(c2ccncc2)CC1	161340270	ZCQVNOABGRJFSB-JTQLQIEISA-N	234.303	0.077	70	20	BCID	
O=S(=O)(Cl)[C@@H]1CCO[C@]2(CCOC2)C1	125802493	KHULDIMOWUWRKY-HTQZYQBOSA-N	240.708	0.893	70	20	BCID	
COc1cccnc1N1CC[C@@H](CO)C1	160308286	BKYPVJOFFSIUQQ-SECBINFHSA-N	208.261	0.909	70	20	BCID	
CN[C@H]1CCN(C(=O)Cc2ccc(C)nc2)C1	160710836	HOUJOQFENPGKDF-LBPRGKRZSA-N	233.315	0.753	70	20	BCID	
O=C(N[C@@H]1CCC[C@@H]1CO)c1cnsn1	217915236	KEIKLOJSPAAOGD-RNFRBKRXSA-N	227.289	0.429	70	20	BCID	
Cc1cc(CS(=O)(=O)Cl)nn1C	259500061	PDUXLCVXMBDZRT-UHFFFAOYSA-N	208.670	0.797	70	20	BCID	
CCC[C@H](O)CN[C@@H]1CCCNC(=O)C1	217862445	VEOYLGXYXLVVCA-ZJUUUORDSA-N	214.309	0.406	70	20	BCID	
CC(C)N1CC[C@@H](S(=O)(=O)Cl)C1=O	306559816	LQHMJESFIWQBNN-ZCFIWIBFSA-N	225.697	0.564	70	20	BCID	
CCc1nc(CN2CCOC[C@@H]2C2CC2)n[nH]1	160163759	XRFLEKNSHBBVKU-SNVBAGLBSA-N	236.319	0.978	70	20	BCID	
CCC(N)(CC)CNC(=O)CCOCCOC	160536729	GLMNMWDDQFUZEN-UHFFFAOYSA-N	246.351	0.673	70	20	BCID	
CC(=O)N[C@H](C)C(=O)Nc1ccncc1O	159735683	JMGMASYJTCJTEF-ZCFIWIBFSA-N	223.232	0.250	70	20	BCID	
COCCN(C)C(=O)[C@]1(C)CCCCN1	159561952	CIYYHZYHCANRDS-NSHDSACASA-N	214.309	0.623	70	20	BCID	
Cn1ccc(NCc2nnc3n2CCCC3)n1	217319486	JNXJAXRWUJAPLM-UHFFFAOYSA-N	232.291	0.960	70	20	BCID	
CCC[C@H](O)CNCc1ncnn1CC	217860769	RNEBAYVWGOHJJR-VIFPVBQESA-N	212.297	0.549	70	20	BCID	
O=[N+]([O-])c1ccc2nc(S(=O)(=O)F)nn2c1	584879977	XUVNBZJBUURAKS-UHFFFAOYSA-N	246.179	0.296	70	20	BCID	
CS[C@H](C)CNC(=O)c1nnc[nH]1	159463912	HSZOLHVRWMJSET-RXMQYKEDSA-N	200.267	0.286	70	20	BCID	
CCCCS(=O)(=O)NCC1=CCNCC1	160519417	CAKYNYLAYZYCBT-UHFFFAOYSA-N	232.349	0.626	70	20	BCID	
NCCC(=O)NCCc1ccc(Cl)nc1	160526269	IOFUZTCQMGSAFO-UHFFFAOYSA-N	227.695	0.743	70	20	BCID	
C[C@@H](CNC(=O)C[C@@H](C)N)N1CCCC1	161044300	BBEMHXGUNRXHDE-ZJUUUORDSA-N	213.325	0.324	70	20	BCID	
O=C(NC[C@@H]1CCOC1)c1ccncc1F	161401074	TYWDVIRFZBQFRY-QMMMGPOBSA-N	224.235	0.987	70	20	BCID	
COc1nc(C)nc(N2CC[C@H](O)C2)c1C	159378974	WDKFNOZIGHODEC-VIFPVBQESA-N	223.276	0.673	70	20	BCID	
CCN(CCCO)C(=O)N[C@@H]1CCOC1	159549934	CGSAFHKZAQSCBF-SECBINFHSA-N	216.281	0.189	70	20	BCID	
Nc1ccccc1C(=O)N[C@H]1CCNC1	161268444	YLWCFPWOGYOZAS-QMMMGPOBSA-N	205.261	0.361	70	20	BCID	
CC(C)C(=O)NCCCNC(=O)C(F)(F)F	216853152	VTAIAQXESFBCPU-UHFFFAOYSA-N	240.225	0.827	70	20	BCID	
C[C@H](O)[C@H](C)NC[C@@H](C)N(C)C1CC1	218584372	REBPDKADEWDTRZ-UTLUCORTSA-N	200.326	0.828	70	20	BCID	
O=c1ccc(F)cn1CCS(=O)(=O)F	883953748	JTRKUMYFZZLLSQ-UHFFFAOYSA-N	223.200	0.287	70	20	BCID	
Cc1cccc([C@H](C)C(=O)NCC(N)=O)c1	159420011	NUBKETVLFJTPSD-VIFPVBQESA-N	220.272	0.700	70	20	BCID	
CCn1cc(CN2CCC[C@@H]2C(N)=O)cn1	160318310	ZYGMEGSATZMQFC-SNVBAGLBSA-N	222.292	0.353	70	20	BCID	
COc1cc(C(=O)N[C@@H](CO)CC(C)C)on1	159496233	VQBRHYMQIYTCCZ-MRVPVSSYSA-N	242.275	0.820	70	20	BCID	
CCNC(=O)CN(CC)C(=O)[C@H]1CCCCO1	160835882	REIAKDVANMPPCP-SNVBAGLBSA-N	242.319	0.540	70	20	BCID	
CCCNS(=O)(=O)N[C@@H](CN)CC(C)C	160866160	ACDBNPKPJLQWHO-SECBINFHSA-N	237.369	0.194	70	20	BCID	
CN(C)[C@@H]1CCCN(S(=O)(=O)Cl)C1	167362429	LRJUTNMIQVSBJM-SSDOTTSWSA-N	226.729	0.496	70	20	BCID	
C[C@@H](CS(=O)(=O)F)C1CCNCC1	258101778	NZEIVSSWUCTACU-ZETCQYMHSA-N	209.286	0.921	70	20	BCID	
CCO[C@H](C)C(=O)N[C@@H](CO)CC(C)C	160919333	ATWJGKAONZQYCB-NXEZZACHSA-N	217.309	0.935	70	20	BCID	
COCCC(=O)Nc1c[nH]c(=O)c(C)c1	159459262	ZOIIXFSQNUDVDS-UHFFFAOYSA-N	210.233	0.658	70	20	BCID	
Cc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)n(C)n1	159496733	ZTFGNYIPXJKXTI-PHIMTYICSA-N	248.330	0.695	70	20	BCID	
CC(C)NS(=O)(=O)N1CC[C@H](N)C[C@@H]1C	160948740	UAZPDBPLLUPWMU-IUCAKERBSA-N	235.353	0.041	70	20	BCID	
COC[C@@H](O)CCNC(=O)c1ccoc1	161271409	CSEXYPLWGSSDBC-VIFPVBQESA-N	213.233	0.407	70	20	BCID	
O=C1NCCCC[C@H]1N1CCC[C@@H](O)C1	217786780	VDHDEFBVMMDBLY-NXEZZACHSA-N	212.293	0.112	70	20	BCID	
CCC(CC)(CN)C(=O)N1CC[C@H](NC)C1	161157993	HHLYECZZYOSGIG-JTQLQIEISA-N	227.352	0.572	70	20	BCID	
CCNC(=O)CN(CC)C(=O)[C@@H]1CCCCO1	160835764	REIAKDVANMPPCP-JTQLQIEISA-N	242.319	0.540	70	20	BCID	
CCOCCO[C@@H](C)C(=O)N1CCCNCC1	160855545	HTBZNDMOZLXBOY-NSHDSACASA-N	244.335	0.250	70	20	BCID	
CC[C@@H]1CCC[C@H]1NC(=O)CNC(C)=O	159576998	KUIMLLUHCPFZJN-NXEZZACHSA-N	212.293	0.817	70	20	BCID	
CC1(C)COCCN1S(=O)(=O)Cl	100486537	KFHDFXQNQVLQJJ-UHFFFAOYSA-N	213.686	0.581	70	20	BCID	
CC1CCN(C(=O)N(C)CC(=O)N(C)C)CC1	160355146	RGIKTGFQVPBYLQ-UHFFFAOYSA-N	241.335	0.858	70	20	BCID	
C[C@@]1(O)CCCN(C(=O)c2cnc[nH]2)C1	161040612	UTVVWLKZPAJAHW-SNVBAGLBSA-N	209.249	0.397	70	20	BCID	
COCCOCC(=O)N(C)Cc1cccn1C	160521145	UOYYSIXRKZKEGF-UHFFFAOYSA-N	240.303	0.647	70	20	BCID	
Cc1cc(CNC(=O)N[C@@H]2CCOC2)no1	159394393	OSTVWTWTXCSXCO-MRVPVSSYSA-N	225.248	0.571	70	20	BCID	
COC[C@H](NC(=O)Nc1ccn(C)n1)C1CC1	159768460	NUNLLOZGBMVXFB-VIFPVBQESA-N	238.291	0.967	70	20	BCID	
CCOC(=O)CNC(=O)c1ccc(O)nc1C	160117582	ZLXMSPUGXGIHED-UHFFFAOYSA-N	238.243	0.389	70	20	BCID	
CCC[C@@H](C)C(=O)N(CCO)CCOC	160338592	XSIWIFACHYAYJX-SNVBAGLBSA-N	217.309	0.890	70	20	BCID	
O=C(NCC1=CCNCC1)c1csnn1	160514815	ORQWQSUKBSHDQM-UHFFFAOYSA-N	224.289	0.188	70	20	BCID	
C[C@H](O)C[C@@H](C)CNC(=O)[C@@H](N)C(C)(C)C	160570638	PYEJAIWKARGOHI-KXUCPTDWSA-N	230.352	0.883	70	20	BCID	
CCC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O	160716149	JUPDKULVXNKRCE-IUCAKERBSA-N	248.348	0.231	70	20	BCID	
C[C@@]1(CNC(=O)C2(N)CC2)CCCC[C@H]1O	160838381	QCJYGBNVSJMBAA-KOLCDFICSA-N	226.320	0.535	70	20	BCID	
CC[C@@H](C)OCC(=O)NC[C@@H]1CCOC1	161105429	PGUYEMBPHDQVOV-ZJUUUORDSA-N	215.293	0.954	70	20	BCID	
COC(=O)CCCNC(=O)c1cc(C)ncn1	161298756	FJAOQWVNXKOTNB-UHFFFAOYSA-N	237.259	0.468	70	20	BCID	
CC(C)Cc1nnc(S(=O)(=O)Cl)n1C	133420121	KZHBBGJAETZIGJ-UHFFFAOYSA-N	237.712	0.941	70	20	BCID	
CCOC(C)(C)CNc1ccc(C(N)=O)nn1	159509363	JYKJTDFVGKQKTG-UHFFFAOYSA-N	238.291	0.803	70	20	BCID	
C[C@H]1CC[C@@H](NS(=O)(=O)NC2CC2)C1	160465622	CTAKYZLSKQLDBJ-IONNQARKSA-N	218.322	0.761	70	20	BCID	
CNCCCNC(=O)[C@]1(C)CCCNC1	161267835	CMYZVZZQFNFBKP-LLVKDONJSA-N	213.325	0.102	70	20	BCID	
CCO[C@@H](C)C(=O)N[C@@H]1CCN(C(C)=O)C1	159715397	LLMBVYCOHMWNCF-WCBMZHEXSA-N	228.292	0.148	70	20	BCID	
COCCNCC(=O)N(C)CCSC	160014648	NWSWCDATBKSQQH-UHFFFAOYSA-N	220.338	0.044	70	20	BCID	
O=C([C@H]1CSCN1)N1C[C@@H]2CCC[C@H]2C1	160361903	WXMGHXQOYUSQCT-LPEHRKFASA-N	226.345	0.907	70	20	BCID	
CCN(C(=O)C1(NC(N)=O)CC1)C1CCCC1	160789513	OTIGNOAXZHAERP-UHFFFAOYSA-N	239.319	0.978	70	20	BCID	
CC[C@H](CSC)NC(=O)C(C)(C)N	217332881	QUEYORRTWZMBPS-SSDOTTSWSA-N	204.339	0.982	70	20	BCID	
CCOC(=O)[C@H](C)NC(=O)c1ccn(C)n1	218032115	MRIXSZNFRVAGCZ-ZETCQYMHSA-N	225.248	0.102	70	20	BCID	
N[C@H]1CCC[C@H](NC(=O)CNCC2CC2)C1	160963173	RWLDOJFYRDZNCF-QWRGUYRKSA-N	225.336	0.372	70	20	BCID	
CC[C@H](C)OCC(=O)NC[C@@H]1CCN(C)C1	160101876	YFYVFVGRAULNOQ-QWRGUYRKSA-N	228.336	0.869	70	20	BCID	
COCCC1(C(=O)N[C@@H](C)C(N)=O)CCCC1	160178322	OKKFRUNWRCLJEX-VIFPVBQESA-N	242.319	0.573	70	20	BCID	
CCOC(=O)[C@@H](C)CNC(=O)[C@H](N)C(C)C	160802602	NXQXIYPTGYAXRZ-DTWKUNHWSA-N	230.308	0.285	70	20	BCID	
CCc1nc(CN2CCC[C@@H]([C@@H](C)O)C2)n[nH]1	159430331	CZFGTKCVXQCIBK-NXEZZACHSA-N	238.335	0.960	70	20	BCID	
Cc1nc(CN2CCO[C@@H](CN)C2)cs1	159513580	IUPMREQTLBINKU-JTQLQIEISA-N	227.333	0.611	70	20	BCID	
CSC[C@@H](C)NC(=O)CNC1CC1	159624710	HXRJSGNBVOLUJP-SSDOTTSWSA-N	202.323	0.606	70	20	BCID	
CN1CCN(C(=O)N2CCOCC2)CC1(C)C	160573592	WDFKKGMBJQOWEZ-UHFFFAOYSA-N	241.335	0.465	70	20	BCID	
O=C(N[C@H]1CCC[C@@H]1O)[C@H]1CCCCO1	161036722	QPCVAFNTZOOSRO-LPEHRKFASA-N	213.277	0.585	70	20	BCID	
CCCCNC(=S)N[C@@H]1CCN(C)C1=O	217546560	HNFCXVUIWLVPMA-MRVPVSSYSA-N	229.349	0.481	70	20	BCID	
NC1(C(=O)NC[C@@H](O)c2ccsc2)CC1	160440789	LWOAOZRKWMDKEZ-MRVPVSSYSA-N	226.301	0.389	70	20	BCID	
CCc1nc(CN2CCC3(C2)OCCO3)no1	160685746	KOFRXCSVSAUASS-UHFFFAOYSA-N	239.275	0.581	70	20	BCID	
Cc1nn(C)cc1CN[C@@H](C)CC(N)=O	160798240	ZODWJQJNOWUNQE-ZETCQYMHSA-N	210.281	0.082	70	20	BCID	
CC(=O)N[C@H](C)C(=O)N(C)Cc1cccn1C	160841462	SHVCZOBLJQFWML-SECBINFHSA-N	237.303	0.508	70	20	BCID	
CO[C@@H](C)C(=O)N[C@@](C)(CN)C1CC1	160934385	RUKQLCXKISJAJH-XVKPBYJWSA-N	200.282	0.265	70	20	BCID	
Cc1cc(C(=O)Nc2ccn(C)n2)ncn1	161331088	XLWJLUMNYIOWAS-UHFFFAOYSA-N	217.232	0.771	70	20	BCID	
Cn1cnc(CNC(=N)NC2CCCC2)n1	218721808	JGMXLTOXZCWHAX-UHFFFAOYSA-N	222.296	0.372	70	20	BCID	
Cc1cc(N[C@H]2CCN(C)C2=O)nn1C	159609505	WNHNPVFSEGLCCN-QMMMGPOBSA-N	208.265	0.371	70	20	BCID	
CCNC(=O)CNC(=O)[C@H]1C[C@]1(C)CC	159968717	ZLZYWDXXFVOCKA-KCJUWKMLSA-N	212.293	0.675	70	20	BCID	
CO[C@H](C)C(=O)NC[C@@]1(C)CCCO1	160824003	ALBKQCOEXXARCI-PSASIEDQSA-N	201.266	0.707	70	20	BCID	
CSC[C@](C)(O)CNC(=O)c1ccon1	217633668	OFIAHWJJDXOTMA-SECBINFHSA-N	230.289	0.518	70	20	BCID	
C[C@@H](N)C(=O)N[C@@H]1CCN2CCCC[C@@H]12	217807059	SZPAPAYGOCOIHD-BBBLOLIVSA-N	211.309	0.077	70	20	BCID	
CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123568526	SWCZLUZHQUGIQD-UHFFFAOYSA-N	206.198	0.033	70	20	BCID	
C[C@H]1C[C@H]1C(=O)N1CCC(S(=O)(=O)F)CC1	1615002384	XOKQISZMWZRTDP-IONNQARKSA-N	249.307	0.933	70	20	BCID	
C[C@@H]1C[C@@H]1C(=O)N1CC(CS(=O)(=O)F)C1	1616187038	UWQHKTMXPDMWAG-SVRRBLITSA-N	235.280	0.400	70	20	BCID	
CSCCN(C)C(=O)C[C@@H]1CCCN1	159999464	DMHKNCXWAJJXBI-VIFPVBQESA-N	216.350	0.950	70	20	BCID	
O=C(NCC[C@@H](O)c1ccccc1)[C@H]1CCNC1	160853190	QECSAXJVGCQFJI-QWHCGFSZSA-N	248.326	0.836	70	20	BCID	
CN1CC[C@H](NC(=O)CCCn2cccc2)C1=O	159634203	DGENXTNWWJLCGT-NSHDSACASA-N	249.314	0.615	70	20	BCID	
CC(C)(N)CNC(=O)COCC1CC1	160114470	QEGGSOJTBNNETA-UHFFFAOYSA-N	200.282	0.267	70	20	BCID	
O=C(NCC1=CCNCC1)c1ccco1	160511260	IIBJILWAKWTCSY-UHFFFAOYSA-N	206.245	0.929	70	20	BCID	
CO[C@@H](C)C(=O)N(C)CC(C)(C)CN	160943739	FUVNLFDFIGDACG-QMMMGPOBSA-N	202.298	0.465	70	20	BCID	
Cn1cc(C(=O)N[C@@H]2CCC[C@@H](N)C2)cn1	161199909	MPAVZZRPUPWIJR-NXEZZACHSA-N	222.292	0.420	70	20	BCID	
CC[C@@H](CO)N1CCN(C[C@](C)(O)CC)CC1	161302826	MRFBBBVICKURLR-QWHCGFSZSA-N	244.379	0.536	70	20	BCID	
CCOCCN(C)C(=S)NCCOC	161486568	UQKFUAZSYPRYGF-UHFFFAOYSA-N	220.338	0.476	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCO2)C1	161199531	WXDAUXCJFYUEDW-UTLUCORTSA-N	212.293	0.552	70	20	BCID	
CO[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CN	160937442	OJQWBXYQKRYIEX-OPRDCNLKSA-N	214.309	0.607	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)COCC1CC1	160073247	WCIABFLHUDDVFY-SECBINFHSA-N	243.303	0.871	70	20	BCID	
COC[C@H](O)CNc1nc(C)nc(OC)c1C	159401334	DCQOGGSQRUQUNO-SECBINFHSA-N	241.291	0.521	70	20	BCID	
CC1CCN(C(=O)[C@@H](C)N(C)C[C@@H](C)O)CC1	159421528	YDSGGBSRAZRTFD-VXGBXAGGSA-N	242.363	0.946	70	20	BCID	
CC/C=C(\C)C(=O)NC[C@H](O)COC	217129930	MXSVUQOZYAZMJM-QRJSTWQJSA-N	201.266	0.466	70	20	BCID	
N[C@@H](CNC(=O)c1cnns1)C1CC1	160128294	DROIFLWOPIJLCV-LURJTMIESA-N	212.278	0.005	70	20	BCID	
CCCSCC(=O)N(C)[C@@H](C)CO	160426758	BOIOSRSUYWKKNB-QMMMGPOBSA-N	205.323	0.969	70	20	BCID	
COC(=O)CCN1CC[C@@H]([C@H](C)O)C1	161210461	JHTXTLRFIMOFHP-DTWKUNHWSA-N	201.266	0.252	70	20	BCID	
CSC[C@](C)(O)CNCc1c[nH]nc1C	217858007	LLVGVDMSBPTDBH-SNVBAGLBSA-N	229.349	0.922	70	20	BCID	
C[C@H](CN)C(=O)N1CCO[C@H]2CCC[C@H]21	218386430	CDMHNSTZBRPWLR-BBBLOLIVSA-N	212.293	0.361	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@@H]1CCNC1	160552680	VFMDVTAVELVICV-SECBINFHSA-N	213.325	0.230	70	20	BCID	
COC(=O)[C@H](C)N1CC[C@@H]([C@@H](C)N)C1	160603401	PACGEABSSVQHPJ-HRDYMLBCSA-N	200.282	0.217	70	20	BCID	
O=C(NC1CCSCC1)N[C@@H]1CCOC1	159412110	MKNMLGYPPONJPK-SECBINFHSA-N	230.333	0.970	70	20	BCID	
COCC[C@H](C)NC(=O)N[C@@H]1CCOC1	159398423	CTJADEKMMMVYPB-DTWKUNHWSA-N	216.281	0.500	70	20	BCID	
Cc1nnc(CN(C)C[C@H]2CCC[C@@H]2O)o1	159465076	ZDHIDSDYKKZRNC-ZJUUUORDSA-N	225.292	0.971	70	20	BCID	
CC[C@@H](COC)NC(=O)N[C@@H]1CCOC1	159413318	LDUQOJXNLCPNDD-DTWKUNHWSA-N	216.281	0.500	70	20	BCID	
CC[C@@H](C)[C@H](O)CNC(=O)CCNC(C)C	159817551	DPEYZPUUKCUSOQ-GHMZBOCLSA-N	230.352	0.898	70	20	BCID	
CC1=C(C(=O)NCC(=O)NC2CC2)CCCO1	160182310	VLZCYMQTGKXGNL-UHFFFAOYSA-N	238.287	0.466	70	20	BCID	
CN(C(=O)N[C@H]1CCOC1)[C@@H]1CCSC1	160221099	JXIMEDFDVFUPNR-DTWKUNHWSA-N	230.333	0.922	70	20	BCID	
CN1CC[C@@H](NC(=O)NC2CCC2)C1=O	217913122	RAVWQVQYZONUKR-MRVPVSSYSA-N	211.265	0.069	70	20	BCID	
Cn1cc(/C=C\C(=O)N2CC(C)(O)C2)cn1	216978490	IFOOOXZASCFJDS-ARJAWSKDSA-N	221.260	0.027	70	20	BCID	
O=C(NCC1=CCNCC1)c1ccoc1	160514307	WYKUWEWEJHVGHL-UHFFFAOYSA-N	206.245	0.929	70	20	BCID	
CC[C@H](O)CCNC(=O)c1ccn(C)n1	218094065	DMIWSISPDYVZRT-QMMMGPOBSA-N	211.265	0.311	70	20	BCID	
CC(=O)N[C@@H](C)C(=O)NCC1(C2CC2)CC1	159697811	MXNZECZTLLFJFF-QMMMGPOBSA-N	224.304	0.817	70	20	BCID	
CCCCOCC(=O)NC[C@H](C)CO	160480933	KKTPTVCUEFIEPZ-VIFPVBQESA-N	203.282	0.548	70	20	BCID	
NC(=O)CCNC[C@@H]1CSCCS1	160218186	FIBIZIHBRPDMOY-SSDOTTSWSA-N	220.363	0.300	70	20	BCID	
CCC[C@H](O)CNCc1cc(C)nn1C	217903040	CSENHRBXCWECCM-NSHDSACASA-N	211.309	0.979	70	20	BCID	
CC[C@H]1CO[C@@H](C)CN1C(=O)COCCOC	218070556	OMKPGBLRWYTMKO-QWRGUYRKSA-N	245.319	0.675	70	20	BCID	
Cc1c([N+](=O)[O-])nn(C)c1S(=O)(=O)Cl	238853224	IRVLEGKFUZOCMB-UHFFFAOYSA-N	239.640	0.564	70	20	BCID	
N[C@H]1CCCCCC[C@@H]1C(=O)N1CC[C@@H](N)C1	160259940	HPAFEEHIFRMURI-WOPDTQHZSA-N	239.363	0.844	70	20	BCID	
CNCCCC(=O)N[C@H]1CCC[C@H](N)C1	160962586	LLPTXVZTFBDBLZ-UWVGGRQHSA-N	213.325	0.372	70	20	BCID	
Cc1cc(C(=O)NCCCN(C)C)ncn1	161165689	SLUCKYXCURDNSZ-UHFFFAOYSA-N	222.292	0.467	70	20	BCID	
CC(C)CNC(=O)NCCCN1CCOCC1	217269448	CLHHETYSMPPNNV-UHFFFAOYSA-N	243.351	0.664	70	20	BCID	
CC(C)CNC(=N)NCc1ncn(C)n1	218733959	LDGJDNHYOMUGAD-UHFFFAOYSA-N	210.285	0.085	70	20	BCID	
CSCCN(C)C(=O)[C@H]1CC[C@H](N)C1	160014264	DUZDLFSVFHISNE-IUCAKERBSA-N	216.350	0.935	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)c1cn[nH]c1	160045042	KOUJXQBMEAJSLT-ZETCQYMHSA-N	225.248	0.481	70	20	BCID	
CC1(NS(=O)(=O)C2CC2)CCOCC1	161059721	AWMSMUAUCOEWAZ-UHFFFAOYSA-N	219.306	0.637	70	20	BCID	
CNC(=O)[C@H](C)N[C@H](C)c1cscn1	161160654	XYDANRMPIUCFFF-RQJHMYQMSA-N	213.306	0.928	70	20	BCID	
CCCNC(=O)[C@H](C)NC(=O)C(F)F	218439961	STNSBEQXAIHTBY-YFKPBYRVSA-N	208.208	0.282	70	20	BCID	
C[C@@H](O)[C@@H]1CCN(c2ncc(F)cn2)C1	159528225	GQZLBUKYXFEYQH-HTQZYQBOSA-N	211.240	0.823	70	20	BCID	
C[C@H](NC(=O)CN)C(=O)Nc1ccccc1	159893722	DQIYYKBROTVASH-QMMMGPOBSA-N	221.260	0.089	70	20	BCID	
CCCCNC(=O)C(=O)Nc1nocc1C	159918717	GFBRHWRTFGXROW-UHFFFAOYSA-N	225.248	0.838	70	20	BCID	
CC[C@H](CCO)NC(=O)CCCOC	160127350	ICMVHCOLYHNTBZ-SECBINFHSA-N	203.282	0.690	70	20	BCID	
O=C(c1nc(=O)[nH][nH]1)N1CC[C@@H]2CCCC[C@@H]21	160330917	DVSZUEMSHSGHBF-YUMQZZPRSA-N	236.275	0.503	70	20	BCID	
O=C(CCOCc1ccccc1)N1CC(O)C1	161460705	ZQRXHGCKKXZNPI-UHFFFAOYSA-N	235.283	0.796	70	20	BCID	
CCCOCC(=O)N[C@H](CO)CC(C)C	160908363	JEYRAULJGNXSAF-JTQLQIEISA-N	217.309	0.936	70	20	BCID	
CCCCNC(=S)NCc1ncn(C)n1	218737524	UIXSDSPXQGDDEP-UHFFFAOYSA-N	227.337	0.579	70	20	BCID	
C[C@H]1COCCN1C(=O)[C@H]1CCCCO1	161232470	QDNWGTQZFJHFGG-VHSXEESVSA-N	213.277	0.803	70	20	BCID	
CCCNC(=O)CCCC(=O)NC[C@@H](C)CO	160479519	OOYFTJBIOBLOBA-SNVBAGLBSA-N	244.335	0.428	70	20	BCID	
COC[C@H](NC(=O)N[C@@H]1CCOC1)C(C)C	159414338	NFMRDHAFMWLZKL-ZJUUUORDSA-N	230.308	0.746	70	20	BCID	
Cc1ncsc1CN1CCO[C@H](CN)C1	159519547	WRRXBHUTFWXKNT-SECBINFHSA-N	227.333	0.611	70	20	BCID	
CCN(CCO)C(=O)c1oc(C)nc1C	159507459	BTWHGZSIXWAKEC-UHFFFAOYSA-N	212.249	0.746	70	20	BCID	
NCC[C@H]1CCN(C(=O)[C@H]2CCOC2)C1	160000052	LCNZXGBAHSAPEZ-UWVGGRQHSA-N	212.293	0.220	70	20	BCID	
CCCC(=O)N1CC[C@@H](OC)C[C@H]1CN	161045114	GIWYQHYNXJYMKF-VHSXEESVSA-N	214.309	0.751	70	20	BCID	
O=C(N[C@@H]1CCOC1)N1CCO[C@H]2CCC[C@@H]21	159453169	UFTJOONKUULEDJ-VWYCJHECSA-N	240.303	0.738	70	20	BCID	
CCOCC(=O)N1CC[C@@H]([C@@H](C)N)C1	159514048	MVHUFIKVNDFJAB-RKDXNWHRSA-N	200.282	0.219	70	20	BCID	
O=C(NC[C@H](O)C1CC1)C1[C@@H]2CCC[C@@H]12	161058430	ICYSWJYWDAVEFI-BBBLOLIVSA-N	209.289	0.920	70	20	BCID	
CCOC(=O)NCCCC(=O)NCC(F)F	159417069	HOSACCVCBJMKIG-UHFFFAOYSA-N	238.234	0.894	70	20	BCID	
CCOC(=O)c1cnn2c(C(N)=O)ccnc12	159625008	OTTWKTBGWNGLDU-UHFFFAOYSA-N	234.215	0.005	70	20	BCID	
C[C@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	161105043	IBQVBHJCRMRAIH-KDXUFGMBSA-N	212.293	0.263	70	20	BCID	
C[C@@H](O)[C@H]1CCN(c2ncc(F)cn2)C1	159528488	GQZLBUKYXFEYQH-SFYZADRCSA-N	211.240	0.823	70	20	BCID	
O=S(=O)(Cl)CCCOC[C@H]1CCOC1	112155686	OUTXKRHWKMENMW-MRVPVSSYSA-N	242.724	0.998	70	20	BCID	
O=S(=O)(Cl)[C@H]1CCO[C@@]2(CCOC2)C1	125802749	KHULDIMOWUWRKY-YUMQZZPRSA-N	240.708	0.893	70	20	BCID	
COC[C@@H]1CCCCN1S(=O)(=O)Cl	238330224	YHXQAOWEFGZLJV-ZETCQYMHSA-N	227.713	0.971	70	20	BCID	
CC(C)c1cc(=O)n(CC(=O)N(C)C2CC2)cn1	160856016	DEIVBLDLKTUOAW-UHFFFAOYSA-N	249.314	0.988	70	20	BCID	
CC[C@@H](C)OCC(=O)NCCn1cccn1	161019977	TWMNPHUOBQXBRI-SNVBAGLBSA-N	225.292	0.814	70	20	BCID	
CCC[C@@H](O)CNC(=O)[C@H](CN)C(C)C	217964977	PWWSPSLDKPHBON-NXEZZACHSA-N	216.325	0.495	70	20	BCID	
COC(CN[C@H](CCO)C(C)C)OC	218059014	GZLYJGKZVSVBGK-SECBINFHSA-N	205.298	0.602	70	20	BCID	
COCCOCC(=O)NC[C@H](C)C1CC1	218763075	UQDXNFPUZFDGJT-VIFPVBQESA-N	215.293	0.812	70	20	BCID	
C[C@@H](O)CN(C)[C@H](C(N)=O)c1ccccc1	159405913	FOJYGVZTHLTANY-KOLCDFICSA-N	222.288	0.526	70	20	BCID	
CC(C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1	159592233	JEYVWQKPDXOTGG-TUAOUCFPSA-N	240.347	0.997	70	20	BCID	
CCC(N)(CC)CNS(=O)(=O)C1CC1	160144977	LPZAFXCBQBKKKX-UHFFFAOYSA-N	220.338	0.586	70	20	BCID	
CCOC(=O)[C@@H](C)CNC(=O)C(C)(C)N	160799905	YVNVVHPXJZUEFV-ZETCQYMHSA-N	216.281	0.039	70	20	BCID	
CC[C@@H](O)CN[C@H](C)CS(=O)(=O)CC	217327684	YSZZCSLAEUDVKX-RKDXNWHRSA-N	223.338	0.170	70	20	BCID	
CCN(C)C(=O)CNC(=O)c1cccnc1F	217774314	VXODNEIXSKLQGZ-UHFFFAOYSA-N	239.250	0.429	70	20	BCID	
COC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)(C)C	159908121	XHIYDNPJGWOFLW-NKWVEPMBSA-N	216.281	0.038	70	20	BCID	
NCCCNC(=O)CSc1ccc(O)cc1	160042814	IAVFGKXHHODNEJ-UHFFFAOYSA-N	240.328	0.949	70	20	BCID	
C1CCN(CCN2CCC3(C2)OCCO3)CC1	160714514	JTYAZMKUWOKWEE-UHFFFAOYSA-N	240.347	0.921	70	20	BCID	
CC(C)(CCO)NC(=O)c1ccncc1	160775360	RPOWTNQTLHKOCU-UHFFFAOYSA-N	208.261	0.972	70	20	BCID	
CCSCCN1CCO[C@H](CN)C1	159515189	ZSGSRNOASJUUTM-SECBINFHSA-N	204.339	0.399	70	20	BCID	
C[C@H](O)CN(C)[C@H](C(N)=O)c1ccc(F)cc1	159520885	XJIXPZJOSIHWOA-KWQFWETISA-N	240.278	0.665	70	20	BCID	
COCc1ccc(C(=O)N2CCC[C@H]2CN)o1	160164972	XQXSLQZHOCKOAG-VIFPVBQESA-N	238.287	0.989	70	20	BCID	
CCNC(=O)C1CN(C(=O)CO[C@@H](C)CC)C1	161291346	NEFYHYMTYFENJP-VIFPVBQESA-N	242.319	0.396	70	20	BCID	
O=C([C@H]1CCNC1)N1CCO[C@@H]2CCCC[C@@H]21	218260552	ULVQDINRUDQATK-SDDRHHMPSA-N	238.331	0.766	70	20	BCID	
Cc1nc(CN2CCO[C@H](CN)C2)cs1	159513428	IUPMREQTLBINKU-SNVBAGLBSA-N	227.333	0.611	70	20	BCID	
CCN(CC)CCNC(=O)N(C)CC(C)(C)O	161478762	QEPKDDMFGUIUFO-UHFFFAOYSA-N	245.367	0.741	70	20	BCID	
CN1CC[C@@H](CN(C)S(=O)(=O)Cl)C1	167352612	IJPBZODJHKMZFV-SSDOTTSWSA-N	226.729	0.354	70	20	BCID	
CSC[C@@](C)(O)CNC(=O)NC1CCC1	217940743	JNEHZFULBCBHOX-JTQLQIEISA-N	232.349	0.952	70	20	BCID	
CCC[C@@H](O)CNC(=O)N[C@H]1CCOC1	159563657	VYWBPWSZBMASPM-DTWKUNHWSA-N	216.281	0.236	70	20	BCID	
CCOCC(=O)N1CC[C@H](CCN)C1	159983272	LPZGZPURNBFIRP-VIFPVBQESA-N	200.282	0.220	70	20	BCID	
CC[C@H](COC)NC(=O)N[C@@H]1CCOC1	159413435	LDUQOJXNLCPNDD-RKDXNWHRSA-N	216.281	0.500	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)c2ccc(C)o2)C1	159577973	WZFFFKCUXBSVFN-JTQLQIEISA-N	236.271	0.939	70	20	BCID	
N#Cc1ccn(CCS(=O)(=O)F)c(=O)c1	883954015	WCFIFAZIXXYYNZ-UHFFFAOYSA-N	230.220	0.019	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@@]1(F)CCNC1	160559829	MGAYXONGOYXVMO-LLVKDONJSA-N	231.315	0.322	70	20	BCID	
CCOCC(=O)NC[C@@]1(C)CCCNC1	159965788	GPHOGSTZCUDRSN-NSHDSACASA-N	214.309	0.529	70	20	BCID	
C[C@]1(O)CCCN(c2ncc(F)cn2)C1	160845918	GGKQVOPVHNTLPG-JTQLQIEISA-N	211.240	0.967	70	20	BCID	
CCN(C)C(=O)CN1CCC[C@@](C)(O)C1	160994138	MLHXTVDNRDOXEC-LLVKDONJSA-N	214.309	0.312	70	20	BCID	
CN(C)[C@@H]1CCCN(C(=O)N[C@H]2CCOC2)C1	159470898	BVFZSOLKGCATND-WDEREUQCSA-N	241.335	0.511	70	20	BCID	
Cc1ncn(CCS(=O)(=O)F)c(=O)c1C	883954049	WWIJHTYYZRGQPS-UHFFFAOYSA-N	234.252	0.159	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@H]1C[C@@H]1C1CC1	161110310	GMFCGGWWNTYKEF-AXFHLTTASA-N	227.304	0.546	70	20	BCID	
CC(=O)NCCNC(=O)Nc1ccc(C)nc1	161301613	SHTUNSHDFNKHLF-UHFFFAOYSA-N	236.275	0.648	70	20	BCID	
CCC(=O)Nc1cccc(C(=O)N2CC(O)C2)c1	161408297	ZFHOEQAESYTWAV-UHFFFAOYSA-N	248.282	0.852	70	20	BCID	
O=S(=O)(c1cccs1)N1CCC[C@@H](N2CCCC2)CC1	160180565	QCINYLDOONPJMU-UHFFFAOYSA-N	314.476	2.387	70	20	BCID	
CSCCN(C)C(=O)[C@@H]1CCCNC1	160005594	KZXKZNKTJOHEPR-SECBINFHSA-N	216.350	0.807	70	20	BCID	
CCN(CC)CCNC(=O)N1CC[C@H](CO)C1	160845237	SXWSZVRXHNNKDD-NSHDSACASA-N	243.351	0.352	70	20	BCID	
CSC(C)(C)CNC(=O)CNC1CC1	159621445	CBXLMNAQSOATPC-UHFFFAOYSA-N	216.350	0.996	70	20	BCID	
CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)CC	160801469	FSHGTDDOEHWRAU-SFYZADRCSA-N	216.281	0.039	70	20	BCID	
CC[C@@H]1CN(C(=O)N[C@@H]2CCOC2)CCO1	159447589	YGOXDZJRXLLDNG-NXEZZACHSA-N	228.292	0.596	70	20	BCID	
CCCNS(=O)(=O)N1CCC(C)(O)CC1	160722676	UJFBLNKRXCYQOM-UHFFFAOYSA-N	236.337	0.078	70	20	BCID	
C[C@H]1CC[C@@H](C)N1C(=O)CCS(C)(=O)=O	161453137	XLOKFSYIPBZKJZ-DTORHVGOSA-N	233.333	0.821	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)OCC	160491027	ZVRLMOLRDXZSPN-DTWKUNHWSA-N	231.292	0.869	70	20	BCID	
CO[C@]1(CN2CC[C@H](CO)C2)CCOC1	159371549	WKQCANUBMBQHAM-QWRGUYRKSA-N	215.293	0.106	70	20	BCID	
CSCCN(C)C(=O)N[C@@H]1CCOC1	159439347	BDIKSASAKTZHLU-MRVPVSSYSA-N	218.322	0.780	70	20	BCID	
COCCN(CCO)C(=O)CC(C)(C)C	160345594	OYBVLXKKAAZRTK-UHFFFAOYSA-N	217.309	0.890	70	20	BCID	
CNC[C@H]1CCCN1C(=O)c1ccnc(C)n1	161293705	MVBCPMXOJGAJEB-SNVBAGLBSA-N	234.303	0.609	70	20	BCID	
CC[C@](C)(O)CNC(=O)[C@H]1CC[C@@H](C)O1	217845283	QRNRWKUOHPKSLY-KKZNHRDASA-N	215.293	0.831	70	20	BCID	
O=c1ccn(CCS(=O)(=O)F)cc1	1262033040	NIBUWIYHMQGEOI-UHFFFAOYSA-N	205.210	0.148	70	20	BCID	
CCOCCN(CC)C(=O)N[C@H]1CCOC1	159561430	RLILJCUXJVDUKS-JTQLQIEISA-N	230.308	0.843	70	20	BCID	
CC(C)N(C)CC(=O)N(C)[C@@H](C)CO	160444775	JJLWRBKUPOXYQD-VIFPVBQESA-N	202.298	0.166	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCCOC1	160582588	CVCGWHZWWYXSOA-VHSXEESVSA-N	243.303	0.871	70	20	BCID	
CNC(=O)C(C)(C)CNc1nccc(C)n1	161073726	LTCLWPNLXWGFLI-UHFFFAOYSA-N	222.292	0.969	70	20	BCID	
CSCCNC(=O)N1CCC[C@](C)(O)C1	161509022	NLHCMCOVWBKZNH-JTQLQIEISA-N	232.349	0.906	70	20	BCID	
C[C@H]1CN(S(=O)(=O)Cl)CCN1C	167355020	AAHJVXXTXILKQW-LURJTMIESA-N	212.702	0.106	70	20	BCID	
CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1	159470785	BVFZSOLKGCATND-MNOVXSKESA-N	241.335	0.511	70	20	BCID	
Cc1c(CNC2(CO)CCC2)cnn1C	160169510	WZCHHRWMGCNSEF-UHFFFAOYSA-N	209.293	0.733	70	20	BCID	
CCOC[C@@H](O)CN[C@H]1CCCSC1	161271722	AJEAVUNBJPWJSV-UWVGGRQHSA-N	219.350	0.869	70	20	BCID	
O=C(NCc1ccc(O)cc1)N[C@H]1CCOC1	159363736	YMNZVQBGNHNNGF-JTQLQIEISA-N	236.271	0.980	70	20	BCID	
CC(C)OCCNC(=O)CCCCO	159382436	XPKXHBPJJCHSGT-UHFFFAOYSA-N	203.282	0.690	70	20	BCID	
CC1CCN(C(=O)[C@H](C)N(C)C[C@@H](C)O)CC1	159421626	YDSGGBSRAZRTFD-NEPJUHHUSA-N	242.363	0.946	70	20	BCID	
CC(=O)N[C@H](C)C(=O)Nc1cc(C)ns1	159868434	JRDPSJWQLGBRGJ-ZCFIWIBFSA-N	227.289	0.915	70	20	BCID	
CCN(CCCO)C(=O)c1cnsn1	160313673	RVHAILVMOYGQEA-UHFFFAOYSA-N	215.278	0.383	70	20	BCID	
CCN1CCN(C(=O)N2CCOCC2)C[C@@H]1C	159593028	JNQIULJUHVLDIX-NSHDSACASA-N	241.335	0.465	70	20	BCID	
COC(=O)[C@H](C)NC(=O)[C@H]1CCC(=O)C[C@H]1C	159692739	AQYOUOWKUWZQJK-WEDXCCLWSA-N	241.287	0.669	70	20	BCID	
CC(C)N[C@@H](CC(N)=O)C1CCOCC1	159749137	RQCKIIRDXRZEPT-JTQLQIEISA-N	214.309	0.655	70	20	BCID	
C[C@]1(CNC(=O)NC2CC2)CCCNC1	159985157	CADGHFVJRQVVJB-NSHDSACASA-N	211.309	0.838	70	20	BCID	
CCOCCNC(=O)/C=C/c1cnn(C)c1C	160011553	ZUGBTJBQTZJXJJ-AATRIKPKSA-N	237.303	0.894	70	20	BCID	
CCN(CCCO)C(=O)[C@H]1CCCOC1	160324132	JBZNGPGSFCQFIZ-JTQLQIEISA-N	215.293	0.644	70	20	BCID	
Cc1ccnc(O)c1C(=O)N[C@@H](C)CO	160909142	KAUMUIGNHCHPQC-ZETCQYMHSA-N	210.233	0.206	70	20	BCID	
COCCN(C)C(=O)N[C@@H]1CCOC1	159442076	VUGATQZYOZMZMQ-MRVPVSSYSA-N	202.254	0.063	70	20	BCID	
CC[C@@H](C)[C@H](O)CNC(=O)[C@@H](N)CCSC	159817034	ZJCKRIDUGOEVPG-KXUCPTDWSA-N	248.392	0.590	70	20	BCID	
CC[C@H](CCO)NCc1cnn(C)c1C	160155591	QFWYZQLAXBMEQK-LLVKDONJSA-N	211.309	0.979	70	20	BCID	
CCOC(=O)[C@H](C)N1CCC[C@@H](CN)C1	217561705	AHTFHHMMPJOXTA-UWVGGRQHSA-N	214.309	0.609	70	20	BCID	
CCn1cncc1CS(=O)(=O)Cl	117503929	LOWJAWVWXDOUJS-UHFFFAOYSA-N	208.670	0.972	70	20	BCID	
CN(CC(=O)NC1CC1)C(=O)[C@H]1CCCCO1	160165446	IBWOCRJYCKGLDM-SNVBAGLBSA-N	240.303	0.293	70	20	BCID	
CCO[C@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1	159384132	SVSABNKTOXGODX-MNOVXSKESA-N	242.319	0.986	70	20	BCID	
CC(C)OCC(=O)N1CC[C@H](CCN)C1	159994328	ORNHSCJPBVOVPH-JTQLQIEISA-N	214.309	0.609	70	20	BCID	
COC(=O)c1ncn(CCCCCCO)n1	159973242	TUUUAUGUKQXTFB-UHFFFAOYSA-N	227.264	0.617	70	20	BCID	
Cn1ccnc(N[C@]2(C)CCOC2)c1=O	160078089	YGJSSEYNUJSZQD-SNVBAGLBSA-N	209.249	0.371	70	20	BCID	
CO[C@H](C)C(=O)NCC1(O)CCCCC1	160645456	VANPCFHZFRPVIS-SECBINFHSA-N	215.293	0.833	70	20	BCID	
O=C(NC1CCC1)N[C@H]1CCC[C@H]1CO	218000663	MRFDDONFWNNXAL-WPRPVWTQSA-N	212.293	0.999	70	20	BCID	
Cc1csc(NC(=O)NC2(C(N)=O)CC2)n1	161134769	DERMQLLYMGCXRB-UHFFFAOYSA-N	240.288	0.591	70	20	BCID	
CCN(C)C(=O)CCN1CCOCC1	159920803	ZZCUWAXQNWXCPT-UHFFFAOYSA-N	200.282	0.187	70	20	BCID	
C[C@H]1C[C@@H](NCCN(C)C)CN1C1CC1	160852164	DKVSOSBBUKYKRS-WDEREUQCSA-N	211.353	0.763	70	20	BCID	
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CCCO1	218039305	ZSEASGCVISVXTJ-MRVPVSSYSA-N	237.259	0.021	70	20	BCID	
CNC[C@@H](C)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159877349	CIZXOMLRVCTQOV-MXWKQRLJSA-N	225.336	0.195	70	20	BCID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC1	1520864925	FHBXWGABBNZMGU-UHFFFAOYSA-N	232.236	0.519	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@@H](C)NC(C)=O	160446735	WOJNOXROEGPFRC-MRVPVSSYSA-N	229.324	0.145	70	20	BCID	
CO[C@@H](C)C(=O)NCC1CCOCC1	160571855	MURXERJSGRHYAR-QMMMGPOBSA-N	201.266	0.564	70	20	BCID	
O=C(O)C1CCN(S(=O)(=O)Cl)CC1	144664356	XXXDNWNRXLNQQQ-UHFFFAOYSA-N	227.669	0.267	70	20	BCID	
C[C@@H]1NCCC[C@H]1NC(=O)c1ccc[nH]1	160536221	XQGJNTAUWVMURG-DTWKUNHWSA-N	207.277	0.885	70	20	BCID	
C[C@H](CO)S[C@H](C)C(=O)NC1CC1	160730805	CECRQRUPRITFAJ-RNFRBKRXSA-N	203.307	0.768	70	20	BCID	
O=C(NCC[C@H](O)c1ccccc1)[C@H]1CCNC1	160853347	QECSAXJVGCQFJI-STQMWFEESA-N	248.326	0.836	70	20	BCID	
Cc1cc(C(=O)N[C@H]2CCC[C@@H](N)C2)n(C)n1	161316887	RNKSNXDMTLXMGZ-ZJUUUORDSA-N	236.319	0.728	70	20	BCID	
CC[C@H](C)[C@H](C)NC[C@@H](O)CN(C)C	218770111	CLJNJFTYRZOXQU-GARJFASQSA-N	202.342	0.933	70	20	BCID	
CC(C)[C@@H](N)C(=O)Nc1cccn(C)c1=O	159676541	XIZHRKQNZJRWKP-SECBINFHSA-N	223.276	0.307	70	20	BCID	
C[C@H](O)CCNC(=O)/C=C\c1cccnc1	218278620	KFOQAPVQLBTWQJ-LWTINBJPSA-N	220.272	0.982	70	20	BCID	
Cc1ccc(CC(=O)NC[C@@H](C)CO)cn1	160525598	HPUDZYLNKHSWCG-SECBINFHSA-N	222.288	0.677	70	20	BCID	
CCOC(=O)C[C@@H](O)CS[C@@H](C)CO	161072863	CNVPZDCASNNAPA-JGVFFNPUSA-N	222.306	0.415	70	20	BCID	
CCC(CC)(CN)C(=O)NCCCNC(C)=O	161180125	WCEZICBTWDQKKF-UHFFFAOYSA-N	243.351	0.394	70	20	BCID	
Cc1n[nH]cc1CNC(=O)c1ccn(C)n1	218197934	POALHUNHICNQTQ-UHFFFAOYSA-N	219.248	0.382	70	20	BCID	
CCC[C@@H](O)CNC[C@H](O)COCC	217877493	RIUKEFHHNCSFGL-ZJUUUORDSA-N	205.298	0.134	70	20	BCID	
CSCCNC(=O)[C@H]1CCn2ccnc2C1	161137531	ASMVREMUKFMPGQ-VIFPVBQESA-N	239.344	0.925	70	20	BCID	
COC(=O)NCCC(=O)N[C@H](CCO)C(C)C	160462377	AXFUBAXNUWOSLM-SECBINFHSA-N	246.307	0.256	70	20	BCID	
O=C(NCc1nccs1)N[C@@H]1CCOC1	159388510	OHIUPFWTBARMAI-SSDOTTSWSA-N	227.289	0.731	70	20	BCID	
CCCC[C@H](COC)NC(=O)[C@H]1CNCCO1	159654339	MBWZQFJILJISNT-GHMZBOCLSA-N	244.335	0.296	70	20	BCID	
CCN1CCN(C(=S)NC)C[C@@H]1C	159746439	PGCJMSIMADDEBU-QMMMGPOBSA-N	201.339	0.517	70	20	BCID	
CC(C)N(C)CC(=O)N1CCC[C@H]1CN	160143270	AWXKBNJUTPEDEM-JTQLQIEISA-N	213.325	0.276	70	20	BCID	
COCC(C)(C)C(=O)N(C)CC(=O)NC(C)C	160280834	PYBZSWKMDBOQOZ-UHFFFAOYSA-N	244.335	0.642	70	20	BCID	
CCC[C@@H](O)CNC(=O)CCC(C)=O	217977059	IFYHYNQMIZNKPJ-SECBINFHSA-N	201.266	0.633	70	20	BCID	
CCOC(=O)[C@H](C)CNC(=O)[C@H](N)C(C)C	160802704	NXQXIYPTGYAXRZ-RKDXNWHRSA-N	230.308	0.285	70	20	BCID	
CCCNCCNCc1cnn(C)c1C	161334405	IRJVTENZYOCOOW-UHFFFAOYSA-N	210.325	0.818	70	20	BCID	
CN1CCC(N(C)C(=O)C(F)F)CC1	217592252	NQBNBYYTVBQJJV-UHFFFAOYSA-N	206.236	0.804	70	20	BCID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC(=O)N1	159701798	KDCCYDBZUJKOSE-UTLUCORTSA-N	224.304	0.960	70	20	BCID	
CCOCC(=O)N1CC[C@@H](CCN)C1	159983404	LPZGZPURNBFIRP-SECBINFHSA-N	200.282	0.220	70	20	BCID	
CC(C)[C@@H](CCO)NC(=O)[C@H]1CCOC1	160484267	FAXICVSQPZLNHX-VHSXEESVSA-N	215.293	0.546	70	20	BCID	
CCN(CC(C)(C)O)C(=O)[C@H](C)OC	160808762	MWCLTISRSVVUNJ-QMMMGPOBSA-N	203.282	0.641	70	20	BCID	
CO[C@H](C)C(=O)NC[C@]1(C)CCCO1	160823736	ALBKQCOEXXARCI-SCZZXKLOSA-N	201.266	0.707	70	20	BCID	
Cc1cc(NCCn2ccnn2)ncn1	159627028	CNBSXZDMTLJFHQ-UHFFFAOYSA-N	204.237	0.489	70	20	BCID	
CC[C@H](CCO)N[C@H]1CCC[C@@H]1CN	217712715	JSJHVWVLQDSCIE-MXWKQRLJSA-N	200.326	0.864	70	20	BCID	
O=C1O[C@@H](CS(=O)(=O)Cl)CC1(F)F	236141665	PNBDWLRGASCQRU-GSVOUGTGSA-N	234.607	0.506	70	20	BCID	
COCCCN(CCOC)Cc1nccn1C	160825808	XBBOBZMWFDWDJH-UHFFFAOYSA-N	241.335	0.905	70	20	BCID	
C[C@H]1NCCC[C@@H]1NC(=O)c1ccc[nH]1	160536328	XQGJNTAUWVMURG-BDAKNGLRSA-N	207.277	0.885	70	20	BCID	
CC(C)NC(=O)CN(C)C(=O)C(F)F	218687480	AQMGBLJPSLJDOZ-UHFFFAOYSA-N	208.208	0.235	70	20	BCID	
C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](S(=O)(=O)F)C1	1615002183	PVRUFSXOFWQIET-CSMHCCOUSA-N	235.280	0.543	70	20	BCID	
CC(C)[C@H](N)CCN(C)S(=O)(=O)C1CC1	161236627	AZMABYUJIUARNJ-SNVBAGLBSA-N	234.365	0.784	70	20	BCID	
Cn1ccc(NC(=O)N2CCC[C@](C)(O)C2)n1	160757242	CKTOQDVLEVOPSA-NSHDSACASA-N	238.291	0.799	70	20	BCID	
C[C@]1(O)CCCN(CCn2cccn2)C1	160999257	CSADOLVBVQPPCA-NSHDSACASA-N	209.293	0.730	70	20	BCID	
COCC(=O)Nc1cccc(S(=O)(=O)F)c1	139833352	RYPCQDCNSACQLK-UHFFFAOYSA-N	247.247	0.930	70	20	BCID	
CCCN(C)S(=O)(=O)NCc1ccncc1	159552064	FKGFOYGZSCTHNX-UHFFFAOYSA-N	243.332	0.758	70	20	BCID	
CCNC(=O)CN(CC)CCn1ccnc1	160146802	IUWCELUAHNHHBZ-UHFFFAOYSA-N	224.308	0.341	70	20	BCID	
CCN(CC)C(=O)CS[C@@H](C)CO	160769293	CXVNAKWVIDSQJB-QMMMGPOBSA-N	205.323	0.969	70	20	BCID	
Cc1nn(C)cc1CNCCCCCO	161232349	NSNOHDOIHNWKNO-UHFFFAOYSA-N	211.309	0.981	70	20	BCID	
CN(Cc1cn[nH]c1)C(=O)/C=C\c1cnn(C)c1	216670700	ZNXQHPWMFJICOG-ARJAWSKDSA-N	245.286	0.815	70	20	BCID	
O=c1ncccn1Cc1nnc2n1CCCC2	217323138	DREODXYZRAGRAM-UHFFFAOYSA-N	231.259	0.219	70	20	BCID	
CCN(CCO)C(=O)NCC1(CCOC)CC1	161032402	GRJPAPDQEGAOQC-UHFFFAOYSA-N	244.335	0.827	70	20	BCID	
C[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C(N)=O)C(C)(C)C	160229078	RVNNKVHGLVZFKQ-VGMNWLOBSA-N	242.319	0.428	70	20	BCID	
CC[C@@H](C)NC(=O)CN1CCN[C@@H](C)C1	159585191	UDNNUEHKLPVYHU-ZJUUUORDSA-N	213.325	0.195	70	20	BCID	
O=C(NCC1CCOCC1)N[C@H]1CCOC1	159421061	KXAMUWULWJKNLA-JTQLQIEISA-N	228.292	0.501	70	20	BCID	
CSCCN(C)C(=O)[C@H]1CCCNC1	160003412	KZXKZNKTJOHEPR-VIFPVBQESA-N	216.350	0.807	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccnn1C	160318646	PBMCWPSNIOCVSY-MRVPVSSYSA-N	239.275	0.492	70	20	BCID	
COc1ccccc1CNC(=O)N(C)CCO	217313896	XHZJGZBFRJEUFJ-UHFFFAOYSA-N	238.287	0.829	70	20	BCID	
CCC[C@@H](O)CNCc1cn(C)nc1C	160145704	JVQUJZHGQOYAIE-LLVKDONJSA-N	211.309	0.979	70	20	BCID	
CC[C@@H](C(=O)NCC1CCN(C)CC1)N(C)C	159908345	QAOQGFUCFQBXCR-LBPRGKRZSA-N	241.379	0.785	70	20	BCID	
CCCCOCC(=O)N1CC[C@H](NC)C1	160558328	ATYLNTVWNUBFQD-JTQLQIEISA-N	214.309	0.623	70	20	BCID	
NCC(=O)NCCC(=O)Nc1ccccc1	160022478	SULVMERWZZOGFZ-UHFFFAOYSA-N	221.260	0.090	70	20	BCID	
C[C@]1(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CCNC1	160743046	DLSAFSFBWHYOTE-LOWVWBTDSA-N	237.347	0.339	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@H](C)OCC1CC1	161287755	COQGBPZGWLCIAT-ONGXEEELSA-N	245.319	0.315	70	20	BCID	
O=C1CNC(=O)N1Cc1cccc(F)c1	217358252	OMGIYJJKALHNOI-UHFFFAOYSA-N	208.192	0.878	70	20	BCID	
CCCCN(C)C(=O)[C@@H](N)C(=O)OCC	160041804	LVSLAXGPGHCXOU-MRVPVSSYSA-N	216.281	0.135	70	20	BCID	
O=C(NC1(CO)CCC1)c1cccnc1	161103590	QYZXUQJVYJAUMF-UHFFFAOYSA-N	206.245	0.726	70	20	BCID	
CCOCCN(C)C(=O)N1CCOCC1	161491266	KWEBNRDBCSBOKB-UHFFFAOYSA-N	216.281	0.407	70	20	BCID	
CN(CCC1CCOCC1)C(=O)[C@@H]1CCNC1	160355500	HITVSQOCGZLQAS-GFCCVEGCSA-N	240.347	0.871	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)CC2CCNCC2)C1	161200571	XPHLUSRBAKENAE-NEPJUHHUSA-N	239.363	0.762	70	20	BCID	
C[C@@H](N)C(=O)NCCC(=O)Nc1ccccc1	160022635	QIJUOAIEHVTPJH-SECBINFHSA-N	235.287	0.479	70	20	BCID	
CC[C@@H](C)[C@@H](C)NC(=O)CN(C)C(=O)COC	159779423	YRCFGEYTGKHJBB-NXEZZACHSA-N	244.335	0.642	70	20	BCID	
CCN(C)CCNC(=O)N[C@H]1CCOC1	159537538	NBCSLIWBWDAPAF-VIFPVBQESA-N	215.297	0.026	70	20	BCID	
CC(C)CCCNC(=O)C1(NC(N)=O)CC1	159740296	LLJAVUYKTFPDRU-UHFFFAOYSA-N	227.308	0.740	70	20	BCID	
CCC(CC)[C@@H](O)CNC(=O)CCCN	159762420	YNGLNEVDSIPGGF-JTQLQIEISA-N	216.325	0.639	70	20	BCID	
Cc1ccc(NC(=O)C(=O)N2CCOCC2)cn1	160424095	HJOBHFWMQBBXMX-UHFFFAOYSA-N	249.270	0.187	70	20	BCID	
CNC(=O)CNC(=O)c1cccc(C)c1F	161410287	PHMISAUDKDKXAG-UHFFFAOYSA-N	224.235	0.610	70	20	BCID	
NOCC(=O)NC12CC3CC(CC(C3)C1)C2	217173473	KNNOTTMYMISGOL-UHFFFAOYSA-N	224.304	0.962	70	20	BCID	
Cc1ccc(CN2CC[C@H](C(N)=O)C2)nc1	159864601	NLAQZZVEKRGGED-JTQLQIEISA-N	219.288	0.697	70	20	BCID	
C[C@H](C(N)=O)N1CCN(Cc2ccncc2)CC1	161189563	JYLDJENIQPYDJO-LLVKDONJSA-N	248.330	0.073	70	20	BCID	
CC(C)N1CCO[C@@H](CS(=O)(=O)Cl)C1	157448146	JBOULDJLPGPDJX-MRVPVSSYSA-N	241.740	0.664	70	20	BCID	
C[C@@H](N)CN(C)C(=O)c1cncc(F)c1	160171288	USXLOWCPQOJSFP-SSDOTTSWSA-N	211.240	0.640	70	20	BCID	
OCCN1CCC([C@H](O)C(F)(F)F)CC1	161323360	IGTGYARLKLMUOQ-QMMMGPOBSA-N	227.226	0.614	70	20	BCID	
CC(C)C[C@@H](O)CNCc1cncn1C	218168299	KIQLCNVKWVWQSA-LLVKDONJSA-N	211.309	0.917	70	20	BCID	
CC[C@H](O)CCN[C@@H]1CCCNC(=O)C1	218776386	GOLDVGCKTBHZDW-ZJUUUORDSA-N	214.309	0.406	70	20	BCID	
CC[C@@H](CCO)NCCS(=O)(=O)CC	217815203	IMOSWTJKXBDGIQ-VIFPVBQESA-N	223.338	0.172	70	20	BCID	
CCN(C)C(=O)CN[C@H]1CS[C@H](C)C1	217354268	PZBQAJHJCVEGAG-RKDXNWHRSA-N	216.350	0.948	70	20	BCID	
CC[C@H](O)CNC[C@H](C)N(C)C1CC1	218674808	JXAHQODTLUYLQU-ONGXEEELSA-N	200.326	0.830	70	20	BCID	
CCCC[C@H](COC)NC(=O)[C@H]1CSCN1	161163898	RRYIJYRCYDPKFS-NXEZZACHSA-N	246.376	0.970	70	20	BCID	
O=C(NCCn1ccnc1)[C@@H]1CCCCO1	160022835	MJNSEJUTTCOXEC-JTQLQIEISA-N	223.276	0.568	70	20	BCID	
C[C@@H](N)C(=O)NCCc1cc(F)ccc1F	159668038	PNKJNLXLNNQYNY-SSDOTTSWSA-N	228.242	0.971	70	20	BCID	
COc1cc(C(=O)N[C@H](CO)CC(C)C)on1	159496110	VQBRHYMQIYTCCZ-QMMMGPOBSA-N	242.275	0.820	70	20	BCID	
CCC[C@@H](N)C(=O)NCC[C@@H](O)C(C)C	160898344	BKCZWLNGWILIAE-NXEZZACHSA-N	216.325	0.637	70	20	BCID	
CCCCN(CCOC)C(=O)C(C)(C)N	159551049	QXBFTBKUDSRHOC-UHFFFAOYSA-N	216.325	0.999	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)[C@H]1C[C@H]1C	159819276	RXIIDAVUYLCQSB-BDAKNGLRSA-N	212.293	0.612	70	20	BCID	
CONC(=O)CCc1nc(-c2ccoc2)no1	159421598	UTUNOILFXOPUMH-UHFFFAOYSA-N	237.215	0.940	70	20	BCID	
C[C@@H](NC(N)=O)C(=O)NCC1(C2CC2)CC1	159837409	SBVSBKSZBDGBLK-SSDOTTSWSA-N	225.292	0.350	70	20	BCID	
COCCOC[C@H](C)CS(=O)(=O)Cl	112159558	IKLPBGYDSWLXSL-ZETCQYMHSA-N	230.713	0.854	70	20	BCID	
CC[C@H](CCO)NC(=O)N[C@@H]1CCOC1	159540385	PVOWEIANHVREOR-RKDXNWHRSA-N	216.281	0.236	70	20	BCID	
CC[C@H](C)[C@H](O)CNC(=O)CCNC(C)C	159817686	DPEYZPUUKCUSOQ-WDEREUQCSA-N	230.352	0.898	70	20	BCID	
CCOC(=O)C1(C(=O)N2CC[C@H](O)C2)CCC1	160064849	XJIUIXQOOOQNNQ-VIFPVBQESA-N	241.287	0.313	70	20	BCID	
O=S(=O)(Cl)c1ccnn1[C@H]1CCOC1	221891425	RQRTVRFIGNMYFS-LURJTMIESA-N	236.680	0.772	70	20	BCID	
CC[C@](C)(O)CN(C)CC(=O)NC(C)(C)C	160487181	QHCSFKOZILRHFG-LBPRGKRZSA-N	230.352	0.994	70	20	BCID	
COC(=O)[C@H](C)N1CCC[C@@H](C(=O)OC)C1	218204022	FKRQZEYHVLNNHR-DTWKUNHWSA-N	229.276	0.433	70	20	BCID	
C=CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1263696851	BRLCUQLBXROJLT-UHFFFAOYSA-N	232.236	0.589	70	20	BCID	
COCCN(CCO)C(=O)c1ccsc1	160344137	NSSATMQJTXOBDY-UHFFFAOYSA-N	229.301	0.829	70	20	BCID	
CN(CC(=O)Nc1cn[nH]c1)[C@H]1CCSC1	159827697	KIWWIZWJRIVXKC-VIFPVBQESA-N	240.332	0.786	70	20	BCID	
CNC(=O)CCc1c(C)nc2cc(O)nn2c1C	159577538	WCSOSKTZFCGPII-UHFFFAOYSA-N	248.286	0.730	70	20	BCID	
COC(=O)[C@@H]1CCC[C@H](C(=O)NCCO)C1	159425509	LHFLQRYXFBLYSF-DTWKUNHWSA-N	229.276	0.074	70	20	BCID	
COCCNC(=O)N[C@@H](C)[C@H](CO)SC	160776116	DPQBJSDDWNFSDJ-YUMQZZPRSA-N	236.337	0.044	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)c2cnccn2)C1	161235700	PRWFLCFYEZBFGR-BDAKNGLRSA-N	220.276	0.476	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@H](C)CSC	160966250	JRTNJRHIRWBSKB-RKDXNWHRSA-N	235.349	0.499	70	20	BCID	
CC[C@H](O)CCNCc1ncnn1CC	218774683	YHKHGHHFABXBNF-VIFPVBQESA-N	212.297	0.549	70	20	BCID	
C[C@H]1CSCCN1C(=O)N[C@H]1CCOC1	159456070	VXICLOZDEXQUBF-IUCAKERBSA-N	230.333	0.922	70	20	BCID	
CNc1ncccc1C(=O)N[C@H](C)CC(N)=O	159382804	IGYBBOJJNDOYFU-SSDOTTSWSA-N	236.275	0.117	70	20	BCID	
C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)CCS1	159456714	LAYNYGQUYIIKMI-RKDXNWHRSA-N	230.333	0.922	70	20	BCID	
COCCCC(=O)N[C@@H]1CCN(C(C)=O)C1	159617920	CZXHDQRNYGBPSN-SNVBAGLBSA-N	228.292	0.150	70	20	BCID	
CCCC[C@H](COC)NC(=O)CNC	159650989	JDTNNNSEHGPIPL-SECBINFHSA-N	202.298	0.527	70	20	BCID	
CCCCN(CCO)C(=O)[C@@H](C)OC	160526870	HZPYJECGNLPAPA-SECBINFHSA-N	203.282	0.642	70	20	BCID	
CCNS(=O)(=O)NCC(CC)CC	161288154	YHIIHBADRSCTDY-UHFFFAOYSA-N	208.327	0.867	70	20	BCID	
CC1(C)CN(CCCCS(C)(=O)=O)CCO1	161437300	LERSEXCGQOJTPK-UHFFFAOYSA-N	249.376	0.922	70	20	BCID	
CC[C@H](CCO)NC(=O)[C@@H]1CC[C@H](C)O1	160121598	QFTDLDCNMYBZFJ-AEJSXWLSSA-N	215.293	0.831	70	20	BCID	
COC(=O)CCCC(=O)NC(C)(C)CC(N)=O	160524317	BWNFXHZOCICIAU-UHFFFAOYSA-N	244.291	0.100	70	20	BCID	
O=C(CNC(=O)c1ncccc1O)NCC1CC1	161416751	BCIPITFPWPGXNQ-UHFFFAOYSA-N	249.270	0.043	70	20	BCID	
CC(C)S(=O)(=O)CCCN1CCCNCC1	217938104	VIBXBQUNPHLYLT-UHFFFAOYSA-N	248.392	0.495	70	20	BCID	
CCCNC(=O)CCCC(=O)N1CC[C@@H](N)C1	160306178	DTYSPEGXRAJWTC-SNVBAGLBSA-N	241.335	0.243	70	20	BCID	
CCCC[C@@H](SC[C@H](O)CO)C(=O)OC	160815315	ZWHQRKADJVUKFG-RKDXNWHRSA-N	236.333	0.805	70	20	BCID	
C[C@@H]1C(=O)NCCN1CCCN1CCCCC1	161319730	FYMNAUZHNCKZLW-GFCCVEGCSA-N	239.363	0.683	70	20	BCID	
O=C(NC[C@H]1CCOC1)c1ccncc1F	161401195	TYWDVIRFZBQFRY-MRVPVSSYSA-N	224.235	0.987	70	20	BCID	
CCS(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12	217892254	JAMZNOLCJLFGNK-UWVGGRQHSA-N	232.349	0.553	70	20	BCID	
COCCCC(=O)N1CC[C@@H](CCN)C1	159994144	GIVAQAXQJPKMBY-SNVBAGLBSA-N	214.309	0.610	70	20	BCID	
CC[C@@H](CCO)NC(=O)COC(C)C	160114640	AZEIEUQQIFANIP-VIFPVBQESA-N	203.282	0.689	70	20	BCID	
CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](N)C1	160261303	GPRYGDWJJGRLOM-SECBINFHSA-N	241.335	0.098	70	20	BCID	
Cn1cc(OCCCS(C)(=O)=O)cn1	161354584	OVNGJHHYXYGODC-UHFFFAOYSA-N	218.278	0.234	70	20	BCID	
C[C@H](N)CN(C)C(=O)c1cncc(F)c1	160171160	USXLOWCPQOJSFP-ZETCQYMHSA-N	211.240	0.640	70	20	BCID	
CN(C)C(=O)CN1CCN(c2ccncc2)CC1	161315749	XTGNGQFYESRRFT-UHFFFAOYSA-N	248.330	0.292	70	20	BCID	
CCCn1ncnc1CS(=O)(=O)Cl	114628617	YYLIYRWLJRMAGM-UHFFFAOYSA-N	223.685	0.757	70	20	BCID	
COC[C@@H]1CCN(C(=O)[C@@H](C)OC)C1	160643183	BRQCRONFWPOYQY-RKDXNWHRSA-N	201.266	0.516	70	20	BCID	
CN(C)C(=O)CCCC(=O)N1CCC[C@H]1CN	160179005	RROSGTQRGJZBTG-JTQLQIEISA-N	241.335	0.195	70	20	BCID	
O=C(Cc1ccc(O)cc1)OCCCO	218208657	CWXKLQJPAMARAC-UHFFFAOYSA-N	210.229	0.860	70	20	BCID	
NC1(CNC(=O)c2cnns2)CCCCC1	159625002	XOQPJXQMDXTHLL-UHFFFAOYSA-N	240.332	0.930	70	20	BCID	
CCN(CCCO)C(=O)[C@@H]1CCCOC1	160324026	JBZNGPGSFCQFIZ-SNVBAGLBSA-N	215.293	0.644	70	20	BCID	
O=C(N[C@@H]1CCC[C@@H]1CO)c1cn[nH]c1	217901500	UYCAQOMKRGADFK-VXNVDRBHSA-N	209.249	0.301	70	20	BCID	
CCC(=O)[C@@](C)(CCS(=O)(=O)F)C(=O)O	1604851976	MOTZWRDTTWCDTQ-MRVPVSSYSA-N	240.252	0.746	70	20	BCID	
CC[C@H](CCO)NC(=O)CN(CC)C1CC1	159412560	RJYRKURIGNWXTC-SNVBAGLBSA-N	228.336	0.748	70	20	BCID	
CCCCOCCNC(=O)N[C@@H]1CCOC1	159395762	YGMGYJFOUZJWKS-SNVBAGLBSA-N	230.308	0.891	70	20	BCID	
C[C@H]1CC[C@H](C(N)=O)CN1CCOCC1CC1	160526581	KSOJZCNKFMUPQD-JQWIXIFHSA-N	240.347	0.999	70	20	BCID	
Cc1cc(NC(=O)NCC(=O)N(C)C)no1	159710376	NJPZJBVASBJLOT-UHFFFAOYSA-N	226.236	0.193	70	20	BCID	
CC[C@@](C)(O)CNC(=O)c1cc(OC)no1	159408518	XFSMJVKEIDAKKQ-SNVBAGLBSA-N	228.248	0.574	70	20	BCID	
CN(Cc1nccn1C)C(=O)[C@H]1CCCCO1	160202440	PIPAMEGKLVAPJU-SNVBAGLBSA-N	237.303	0.948	70	20	BCID	
COCC(C)(C)C(=O)NCCNC(=O)C(C)C	159480824	VBWZYYDZPBQICA-UHFFFAOYSA-N	244.335	0.547	70	20	BCID	
CC[C@@H](C)[C@@H](N)C(=O)Nc1ccnn1C	160903782	ZVZVOULXRMBRKP-VXNVDRBHSA-N	210.281	0.732	70	20	BCID	
CC(=O)N[C@@H]1CCN(c2cc(F)ncn2)C1	160314054	FRUTTZWJYNMFHJ-MRVPVSSYSA-N	224.239	0.331	70	20	BCID	
C[C@H](CO)CNC(=O)CCOC[C@H]1CCCO1	160404563	FRWXHKAFOGNUSW-WDEREUQCSA-N	245.319	0.317	70	20	BCID	
COC(=O)CNC1(c2noc(C)n2)CCCC1	159684669	LJWUMMXNKAJSFL-UHFFFAOYSA-N	239.275	0.910	70	20	BCID	
CN(C)CC(=O)N[C@H]1CCO[C@H](C2CC2)C1	159392085	AMJMYGJKMJBYRP-QWRGUYRKSA-N	226.320	0.622	70	20	BCID	
Cc1ncoc1C(=O)N[C@@H](CO)C(C)C	159530731	NJYVJVUABMMTEB-QMMMGPOBSA-N	212.249	0.730	70	20	BCID	
CN(C)C(=O)CCN1CC[C@@H](CCN)C1	160057354	DFBQXMHXUIWZJE-SNVBAGLBSA-N	213.325	0.135	70	20	BCID	
C[C@H](N)C(=O)NC[C@H](O)c1ccsc1	161498878	RVPOMFPBQFVPIX-XPUUQOCRSA-N	214.290	0.245	70	20	BCID	
COCCN(CCN)CC(F)(F)F	160765515	ZEAHFUPHOJEPQP-UHFFFAOYSA-N	200.204	0.456	70	20	BCID	
CCN(CCO)CCCS(=O)(=O)C(C)C	160798380	KVPDTRMYORILDK-UHFFFAOYSA-N	237.365	0.514	70	20	BCID	
C[C@]1(O)CCCN(C(=O)NC[C@H]2CCOC2)C1	160940986	SCOGHNUIMLJXJB-PWSUYJOCSA-N	242.319	0.579	70	20	BCID	
CCN(C)C(=O)CNc1cc(F)ncn1	218621879	FDDQTWKSWTXLKW-UHFFFAOYSA-N	212.228	0.506	70	20	BCID	
CCNC(=O)CN1CCC[C@H]1C[C@@H](C)O	159376812	DAUYJDYYNVAXQJ-ZJUUUORDSA-N	214.309	0.358	70	20	BCID	
COC(=O)CN(CC(OC)OC)C(C)C	160306452	ZTKXXTZGFVDTDI-UHFFFAOYSA-N	219.281	0.489	70	20	BCID	
Cn1cnn(CCN2CCCCC2)c1=O	160745548	OZFLUKPLNZQGSZ-UHFFFAOYSA-N	210.281	0.068	70	20	BCID	
CCC(CC)(CN)C(=O)N1C[C@H](C)N[C@H](C)C1	161159937	DWZAFBVNKLQKCM-PHIMTYICSA-N	241.379	0.960	70	20	BCID	
CN(Cc1nncn1C)C[C@H]1CCC[C@@H]1O	159603326	KJOUEPPRFKMOSR-ZJUUUORDSA-N	224.308	0.408	70	20	BCID	
COCCN(CCO)C(=O)CC(F)(F)F	160344573	UUSKVVCQEYITNM-UHFFFAOYSA-N	229.198	0.406	70	20	BCID	
CO[C@H](C)C(=O)N1CCC[C@H](CCO)C1	160960910	DNEWVWRXZSUOKR-NXEZZACHSA-N	215.293	0.642	70	20	BCID	
O=C1NC[C@H](Cn2cnc3c2CCCC3)O1	160722563	JQGRXIIEIHRSRS-MRVPVSSYSA-N	221.260	0.870	70	20	BCID	
C[C@H]1CN(S(=O)(=O)Cl)CC(C)(C)O1	104846347	QADBVCBLLXJYGE-LURJTMIESA-N	227.713	0.969	70	20	BCID	
C[C@@H](N)C(=O)NC[C@@H](O)c1ccsc1	161499513	RVPOMFPBQFVPIX-HTRCEHHLSA-N	214.290	0.245	70	20	BCID	
O=C(NCCCO)N[C@H]1CCO[C@@H](C2CC2)C1	160398202	VUCFRCILCYODRF-WDEREUQCSA-N	242.319	0.626	70	20	BCID	
C[C@@]1(O)CCCN(C(=O)NC[C@H]2CCOC2)C1	160941124	SCOGHNUIMLJXJB-ZYHUDNBSSA-N	242.319	0.579	70	20	BCID	
Cc1cnn(C)c1CS(=O)(=O)Cl	307017502	WBTCYRRXEJYSEW-UHFFFAOYSA-N	208.670	0.797	70	20	BCID	
COC(=O)[C@@](C)(O)CN(C)CCSC	160111494	FUKLHULGJHIMHC-VIFPVBQESA-N	221.322	0.205	70	20	BCID	
CCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160164831	KDIXZRROXLJZEC-TUAOUCFPSA-N	239.363	0.857	70	20	BCID	
CC(C)(C)C(=O)NCC1CCN(CCO)CC1	160673472	DRPPCAVHAUQFEN-UHFFFAOYSA-N	242.363	0.853	70	20	BCID	
CCOC[C@@H]1CCCN(C(=O)[C@@H](N)CC)C1	160066842	IBDMPDRMDUKOKN-MNOVXSKESA-N	228.336	0.999	70	20	BCID	
CC[C@H](C)OCC(=O)NC[C@]1(O)CCSC1	160217939	HNRBEOSUTIOBQE-GXSJLCMTSA-N	247.360	0.786	70	20	BCID	
CCN(CCCO)C(=O)[C@H]1CCOC1	160323548	CPPYDXQVFFTVME-VIFPVBQESA-N	201.266	0.254	70	20	BCID	
CCOCCO[C@H](C)C(=O)NC[C@H](C)CO	160516216	SPFQCXAXJBPOOY-VHSXEESVSA-N	233.308	0.173	70	20	BCID	
O=S(=O)(F)c1ccc(Cn2cncn2)cc1	1887611494	LPEURLXFYHWDRY-UHFFFAOYSA-N	241.247	0.985	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)c1ccon1	160410029	OHHMMJBNAGWFPP-ZETCQYMHSA-N	226.232	0.746	70	20	BCID	
CCN(C)C(=O)CN[C@@H]1CS[C@H](C)C1	217354181	PZBQAJHJCVEGAG-BDAKNGLRSA-N	216.350	0.948	70	20	BCID	
CC[C@@H](CCO)NCc1ncnn1CC	217800011	HMFBMRMGZJFAKB-VIFPVBQESA-N	212.297	0.549	70	20	BCID	
CC[C@@H](CCO)NC(=O)CCCCO	218544880	XCVPTYUWSWUWTL-VIFPVBQESA-N	203.282	0.426	70	20	BCID	
CCOCCCNC(=S)N[C@@H]1CCOC1	159580067	MSIGUVZVIXDTTO-SECBINFHSA-N	232.349	0.666	70	20	BCID	
Cc1nccn1CCN1CCN(C)CC1	160674260	SMYDBXLOELEPDC-UHFFFAOYSA-N	208.309	0.439	70	20	BCID	
CC(C)NC(=O)CCCC(=O)NCC(C)(C)N	160000635	RGRXEMSUDCFGEE-UHFFFAOYSA-N	243.351	0.535	70	20	BCID	
CCCSCC(=O)NCC[C@H](O)COC	161050048	HZEIDLDOHGNOJY-VIFPVBQESA-N	235.349	0.643	70	20	BCID	
CC(C)[C@H](C(=O)NCCCN)N(C)C	160042692	YUIKOUCFLKTVJI-SECBINFHSA-N	201.314	0.038	70	20	BCID	
Cn1nccc1/C=C/C(=O)N1CCC[C@@H]1CN	160350062	YJGIHJQADFINQS-SGUJLRQBSA-N	234.303	0.383	70	20	BCID	
CC(C)(C(N)=O)c1ccc(NC(N)=O)cc1	159977196	SIJAYEYJROQIHK-UHFFFAOYSA-N	221.260	0.940	70	20	BCID	
O=S(=O)(Cl)CCCO[C@H]1CCOC1	112356989	BFRHLHVFSGGXSQ-ZETCQYMHSA-N	228.697	0.751	70	20	BCID	
CC(=O)N[C@H](C)C(=O)NC[C@H](O)C(C)(C)C	159633264	GUPKKCHJRBEPHU-APPZFPTMSA-N	230.308	0.034	70	20	BCID	
C[C@H]1CC[C@H](NC(=O)c2cnn(C)c2N)C1	160179616	IEOGSXQFYBDRLW-YUMQZZPRSA-N	222.292	0.921	70	20	BCID	
C[C@@H]1CC[C@H](NC(=O)c2cnn(C)c2N)C1	160179491	IEOGSXQFYBDRLW-SFYZADRCSA-N	222.292	0.921	70	20	BCID	
CC[C@@H](COC)NS(=O)(=O)CC(C)C	160300960	DTTOUOIEWVNNFU-VIFPVBQESA-N	223.338	0.987	70	20	BCID	
C[C@H](CC(N)=O)N[C@H]1CCCOCC1	161472955	VNKSDAAGRLVPRO-BDAKNGLRSA-N	200.282	0.409	70	20	BCID	
CCC[C@@H](C(=O)NCc1ccnn1C)N(C)C	161492847	WCWJEXQOJUJRGK-NSHDSACASA-N	238.335	0.767	70	20	BCID	
C[C@H](CCCO)NC(=O)[C@H]1CC[C@@H](C)O1	217866304	MWUKSMRUKQBOJK-OPRDCNLKSA-N	215.293	0.831	70	20	BCID	
CC(=O)c1ccc(C(=O)NCCO)cc1	217083867	PLHDWEABCGOELF-UHFFFAOYSA-N	207.229	0.611	70	20	BCID	
CNC(=O)CNCc1cc(O)cc(F)c1	159589792	DMDBJIWCIFHXNX-UHFFFAOYSA-N	212.224	0.367	70	20	BCID	
Cn1ccc(CN2CC[C@H](CCN)C2)n1	160062514	CMIANPGMKUTXRG-JTQLQIEISA-N	208.309	0.591	70	20	BCID	
CCN(C)C(=O)CN1CCC[C@](C)(O)C1	160994276	MLHXTVDNRDOXEC-NSHDSACASA-N	214.309	0.312	70	20	BCID	
Cn1nccc1CCS(=O)(=O)Cl	100547155	QSSIEKAYDHTWSA-UHFFFAOYSA-N	208.670	0.531	70	20	BCID	
O=C(NC[C@@H]1CCOC1)N[C@H]1CCOC1	159393865	SLLYZWNHOUREGN-IUCAKERBSA-N	214.265	0.111	70	20	BCID	
CN(Cc1cccn1C)C(=O)Cc1cnn(C)c1	160714056	AMRWCILNZDJJLX-UHFFFAOYSA-N	246.314	0.960	70	20	BCID	
CC[C@@H](O)CCNC(=O)CNC1CC1	159619207	QCIPDHRLNUIMAN-SECBINFHSA-N	200.282	0.016	70	20	BCID	
O=C1NC[C@@H](Cn2cnc3c2CCCC3)O1	160722424	JQGRXIIEIHRSRS-QMMMGPOBSA-N	221.260	0.870	70	20	BCID	
O=C(C(F)F)N1CCN(c2ncccn2)CC1	217637894	SCQHSCLXTGYSFF-UHFFFAOYSA-N	242.229	0.390	70	20	BCID	
Cc1nc(CCNC(=O)CN(C)C)sc1C	160089437	ZDSCRJNAFQDZPS-UHFFFAOYSA-N	241.360	0.980	70	20	BCID	
COC[C@@H](O)CCNC(=O)C1=C(C)OCCC1	160876013	IWTMNDKTTUILEV-JTQLQIEISA-N	243.303	0.584	70	20	BCID	
CC(C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159618470	YTZZDIZXNLVLTH-TUAOUCFPSA-N	239.363	0.713	70	20	BCID	
CC(C)[C@@H](SCCN1CCOCC1)C(N)=O	159887981	HPXGBCCUXPGCSG-SNVBAGLBSA-N	246.376	0.562	70	20	BCID	
N[C@@H]1CCCCCC[C@H]1C(=O)N1CCNCC1	159394356	VOCDVMBCZGYFQE-VXGBXAGGSA-N	239.363	0.716	70	20	BCID	
N[C@@H]1CCCCCC[C@@H]1C(=O)N1CCNCC1	159394621	VOCDVMBCZGYFQE-NWDGAFQWSA-N	239.363	0.716	70	20	BCID	
O=C(NC[C@H]1CCC[C@H]1O)[C@H]1CCCO1	160082137	ZFGLAQXUCSZRFW-OPRDCNLKSA-N	213.277	0.443	70	20	BCID	
CC[C@@H](CO)NC(=O)NOCc1cccnc1	160982144	OAYYVYWPQLKVKO-JTQLQIEISA-N	239.275	0.583	70	20	BCID	
CNC[C@H]1CCCN1C(=O)C[C@H]1CCCN1	161348632	SHYRLPRORZAEFD-GHMZBOCLSA-N	225.336	0.339	70	20	BCID	
NS(=O)(=O)N1CCC[C@H](N2CCCC2)CC1	160148462	YTJURVZSYBBISD-JTQLQIEISA-N	247.364	0.140	70	20	BCID	
CC(=O)NC1CCN(CC[C@H](C)O)CC1	160319318	YCWFFCWKINCHIJ-VIFPVBQESA-N	214.309	0.358	70	20	BCID	
C[C@H]1CCN(C(=O)c2nnc[nH]2)C[C@@H]1C	161019624	QIXOMUKVJWFXRE-YUMQZZPRSA-N	208.265	0.923	70	20	BCID	
CCC[C@H](O)CNC(=O)[C@H](CN)C(C)C	217965048	PWWSPSLDKPHBON-VHSXEESVSA-N	216.325	0.495	70	20	BCID	
C[C@@]1(O)CCCN(CC(=O)N2CCC2)C1	161002818	HKBKKKJMDJTDSZ-LLVKDONJSA-N	212.293	0.066	70	20	BCID	
O=C(NCCc1ccncc1)N[C@H]1CCOC1	159445424	PGRWGBXALIWJAX-NSHDSACASA-N	235.287	0.712	70	20	BCID	
COC1(CNC(=O)NC2CC2)CCOCC1	160944218	RQFJSDTWXZIZIA-UHFFFAOYSA-N	228.292	0.644	70	20	BCID	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C1(N)CC1	159539233	ICRRUAFBOTXJBB-HLTSFMKQSA-N	224.304	0.407	70	20	BCID	
CC1=C(C(=O)NCC(=O)N(C)C)CCCO1	160269805	APBRRWMILVEGNA-UHFFFAOYSA-N	226.276	0.275	70	20	BCID	
C[C@@H](CO)N(C)C(=O)CCOC[C@@H]1CCCO1	160496812	LMMHFWQTRKKVPC-QWRGUYRKSA-N	245.319	0.411	70	20	BCID	
CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1	160543665	ZIVSPINIJFUOTN-GHMZBOCLSA-N	227.352	0.393	70	20	BCID	
CCCCO[C@H](C)C(=O)NCC[C@H](O)COC	161094431	FRHVGTITRAHCEU-MNOVXSKESA-N	247.335	0.705	70	20	BCID	
CC(=O)NCCCNC(=O)[C@@H]1CCCCO1	161264029	ZVFAGHRVDMNDKD-JTQLQIEISA-N	228.292	0.198	70	20	BCID	
CC[C@H](O)CCN[C@H]1CCCNC(=O)C1	218776531	GOLDVGCKTBHZDW-UWVGGRQHSA-N	214.309	0.406	70	20	BCID	
CCOC(=O)c1coc(N[C@@H](C)CO)n1	159692374	MCDPQSQZRCVEKF-LURJTMIESA-N	214.221	0.644	70	20	BCID	
CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H](N)C1)N(C)C	161209987	DXLBAGXHOGIBNY-TUAOUCFPSA-N	241.379	0.959	70	20	BCID	
Nc1ccccc1C(=O)N1CCC[C@H](N)C1	161262284	BBSJCECYDLVCOD-VIFPVBQESA-N	219.288	0.832	70	20	BCID	
COC(=O)Cn1c(-c2cccnc2)noc1=O	161320729	OHNHSCFRYNBXGS-UHFFFAOYSA-N	235.199	0.071	70	20	BCID	
O=C1Nc2ccc(OS(=O)(=O)F)cc2C1=O	1887504192	LLVAIRGTQHQMJC-UHFFFAOYSA-N	245.187	0.415	70	20	BCID	
CC(C)OCCS(=O)(=O)NCC(C)(C)N	160142224	MQWWQEMVYXRAHU-UHFFFAOYSA-N	238.353	0.068	70	20	BCID	
CCc1nnsc1C(=O)NC1(CO)CC1	161075155	IVARVVSNLSYRNG-UHFFFAOYSA-N	227.289	0.355	70	20	BCID	
CC[C@H](C)[C@@H](O)CNC(=O)CCNC(C)C	159817921	DPEYZPUUKCUSOQ-QWRGUYRKSA-N	230.352	0.898	70	20	BCID	
CN(C(=O)N[C@@H]1CCOC1)[C@@H]1CCSC1	160220881	JXIMEDFDVFUPNR-RKDXNWHRSA-N	230.333	0.922	70	20	BCID	
CCOCCNC(=O)N1CCC[C@@](C)(O)C1	160169020	ACARBZAMAHVQLW-LLVKDONJSA-N	230.308	0.579	70	20	BCID	
CCO[C@@H](C)c1nccn1CCOCCO	159463897	FPJKBSZIRCPSSS-JTQLQIEISA-N	228.292	0.990	70	20	BCID	
COCCN(C)CCN[C@H](C)C1CCOCC1	159431065	POAIHPXGYVVXLV-GFCCVEGCSA-N	244.379	0.969	70	20	BCID	
CCN1CCN(C(=O)N2CCOCC2)C[C@H]1C	159593176	JNQIULJUHVLDIX-LLVKDONJSA-N	241.335	0.465	70	20	BCID	
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NCCO	159715301	WELMHFFXLNLUSQ-JSGCOSHPSA-N	249.358	0.874	70	20	BCID	
COCCC1(C(=O)NCCO)CCCC1	159379758	PAALNYBUDYSWKC-UHFFFAOYSA-N	215.293	0.692	70	20	BCID	
CC[C@H](Oc1cc(C)ccc1C(N)=O)C(N)=O	159382083	LNTGMCAAUJGXIL-VIFPVBQESA-N	236.271	0.737	70	20	BCID	
c1cn(CCN2CCN(CC3CC3)CC2)cn1	159763437	HQZVDNMRVOKXFY-UHFFFAOYSA-N	234.347	0.911	70	20	BCID	
CCOCCO[C@H](C)C(=O)N(C)[C@H](C)CO	160476631	MFBIUFYAZINVAI-NXEZZACHSA-N	233.308	0.267	70	20	BCID	
CS[C@@H](C)CNC(=O)c1nnc[nH]1	159463755	HSZOLHVRWMJSET-YFKPBYRVSA-N	200.267	0.286	70	20	BCID	
COCCCC(=O)NC1(CO)CCC1	161089300	FVAIYISMGOSJSU-UHFFFAOYSA-N	201.266	0.444	70	20	BCID	
CN1C[C@H](C(=O)NOCc2cccnc2)CC1=O	160782095	PRANYSMERTYQBT-SNVBAGLBSA-N	249.270	0.108	70	20	BCID	
CCCNS(=O)(=O)N[C@@H]1CCCC[C@H]1O	160676427	KLOHHEQCOMWIBZ-RKDXNWHRSA-N	236.337	0.124	70	20	BCID	
CC(C)[C@@H](N)CCN(C)S(=O)(=O)C1CC1	161236722	AZMABYUJIUARNJ-JTQLQIEISA-N	234.365	0.784	70	20	BCID	
CCS(=O)(=O)N(C)c1ncccc1OC	159549876	OTUONOOFASICMZ-UHFFFAOYSA-N	230.289	0.876	70	20	BCID	
CC(=O)NCCNC(=O)N1CC[C@H](C)[C@H](C)C1	159793578	XEOIKVAYOGRIRM-VHSXEESVSA-N	241.335	0.810	70	20	BCID	
C[C@@H](CC(=O)N(C)C)NC[C@H]1CCCC[C@@H]1O	160580482	JBFDGPMBUZFLNS-TUAOUCFPSA-N	242.363	0.994	70	20	BCID	
C[C@H](N)C(=O)N1CCOc2cc(F)ccc21	160815313	PJEHHJXQVKRKRR-ZETCQYMHSA-N	224.235	0.898	70	20	BCID	
CCN(CCCO)C(=O)[C@H]1CCO[C@@H]1C	161403375	GAIPKTUACAZAEG-ZJUUUORDSA-N	215.293	0.642	70	20	BCID	
O=C(Cn1cccn1)N1CCc2ncncc2C1	218060109	VJSKXSNNXLBZDO-UHFFFAOYSA-N	243.270	0.258	70	20	BCID	
CCCNS(=O)(=O)NCC(=O)C(C)(C)C	160601582	MKTRELUIHLOHPH-UHFFFAOYSA-N	236.337	0.436	70	20	BCID	
CNCCC(=O)NC[C@H](C)N1CCCC1	161068523	ICNRMDGMVKVHOZ-JTQLQIEISA-N	213.325	0.196	70	20	BCID	
CC(=O)c1nccn1CCS(=O)(=O)F	883953753	JYPRBFIUZHRQSP-UHFFFAOYSA-N	220.225	0.385	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@H](C)N(C)C	160542379	SZZBVRWBDBBENO-VIFPVBQESA-N	215.341	0.570	70	20	BCID	
CCNS(=O)(=O)N1CCCC[C@H]1CCN	160874673	VIJBOWASCRKJOW-VIFPVBQESA-N	235.353	0.044	70	20	BCID	
CN1C[C@@H](CS(=O)(=O)Cl)CC1=O	257630926	PNYSSIGXMOYXGV-YFKPBYRVSA-N	211.670	0.033	70	20	BCID	
COCCOCCN1CC[C@H](CCN)C1	160048771	POGUZRHFCHTFDP-NSHDSACASA-N	216.325	0.320	70	20	BCID	
CN[C@@H]1CCN(C(=O)[C@@H](C)Oc2cccnc2)C1	160723330	NSCFIACDWXQCNL-GHMZBOCLSA-N	249.314	0.669	70	20	BCID	
CS[C@@H](C)CC(=O)NCC(C)(C)C(N)=O	159992650	MWKPGTISWBGFHK-ZETCQYMHSA-N	232.349	0.756	70	20	BCID	
CS[C@H](C)CC(=O)NCC(C)(C)C(N)=O	159992783	MWKPGTISWBGFHK-SSDOTTSWSA-N	232.349	0.756	70	20	BCID	
CC[C@](C)(O)CN1CCC(CC(=O)NC)CC1	161360893	LKAARDLSXXIPGV-ZDUSSCGKSA-N	242.363	0.996	70	20	BCID	
C[C@@H]1[C@@H](S(=O)(=O)Cl)CCS1(=O)=O	306322449	KDLPPSUBPILDNH-UHNVWZDZSA-N	232.710	0.131	70	20	BCID	
CCn1cc(CS(=O)(=O)Cl)cn1	88287549	CUMMZTXFHIBMRH-UHFFFAOYSA-N	208.670	0.972	70	20	BCID	
CCCNS(=O)(=O)N1CCCCO1	160460128	HBGBWSYOOBVOST-UHFFFAOYSA-N	208.283	0.258	70	20	BCID	
C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	161104835	IBQVBHJCRMRAIH-MAUMQABQSA-N	212.293	0.263	70	20	BCID	
Cn1cc(/C=C\C(=O)NCc2ncc[nH]2)cn1	217009922	JBNOATXGUBMGFK-IHWYPQMZSA-N	231.259	0.473	70	20	BCID	
CN1CC[C@H](N(C)CCCCCO)C1=O	217935302	SDAPTKBDLPNFNQ-JTQLQIEISA-N	214.309	0.312	70	20	BCID	
CN[C@@H]1CCN(C(=O)[C@H](C)OCC2CC2)C1	160619469	WTIZQIUUINTSER-GXSJLCMTSA-N	226.320	0.622	70	20	BCID	
O=C1CN(Cc2cccc3c2OCO3)CCN1	160490947	OSJWUEZDFQUJTC-UHFFFAOYSA-N	234.255	0.347	70	20	BCID	
CN(CC(F)F)C(=O)N[C@H]1CCOC1	159456587	OWCOFPSLAXUVDA-LURJTMIESA-N	208.208	0.682	70	20	BCID	
Cc1nnc2c(NCC(C)(C)C(N)=O)nccn12	218049794	DWXAVAIXHWTXTK-UHFFFAOYSA-N	248.290	0.356	70	20	BCID	
C[C@H](O)C[C@@H]1CCCN1[C@@H](C)[C@@H](C)O	159372091	SMRIVHUTIKIGFV-MMWGEVLESA-N	201.310	0.991	70	20	BCID	
CCCOCC(=O)N[C@H]1CCC[C@@H](N)C1	160837486	DCDQLNDTAHFWRB-ZJUUUORDSA-N	214.309	0.799	70	20	BCID	
COc1cccnc1NCCc1ncn[nH]1	160240039	GHFYSVYDKVJIMK-UHFFFAOYSA-N	219.248	0.863	70	20	BCID	
C[C@H](CO)N(C)C(=O)COC[C@@H]1CCCO1	160475019	BQZCJQCAYAZHJZ-ZJUUUORDSA-N	231.292	0.021	70	20	BCID	
CN[C@H]1CCN(C(=O)/C=C/c2ccnn2C)C1	160750925	NLDITMVAUJUFIK-FSIBCCDJSA-N	234.303	0.254	70	20	BCID	
C[C@@H](CN)C(=O)NC[C@@H](C)N1CCCC1	160935282	BMBQDPKRCHULJQ-VHSXEESVSA-N	213.325	0.182	70	20	BCID	
CN(C)CC(=O)N[C@H]1CCO[C@@H](C2CC2)C1	159392351	AMJMYGJKMJBYRP-WDEREUQCSA-N	226.320	0.622	70	20	BCID	
CSC[C@@](C)(O)CNCc1c[nH]nc1C	217857934	LLVGVDMSBPTDBH-JTQLQIEISA-N	229.349	0.922	70	20	BCID	
CCOC(=O)[C@H](N)C(=O)NCCC(C)C	160041210	RXAPXMXOKWGLBE-MRVPVSSYSA-N	216.281	0.039	70	20	BCID	
CC(C)NC(=O)CNC(=O)[C@H]1CCCCO1	160191075	QJTKWAUTOQTBMH-SECBINFHSA-N	228.292	0.196	70	20	BCID	
Cn1cc(S(=O)(=O)Cl)c2cncnc21	584882647	UHNNEXUKRQIRCT-UHFFFAOYSA-N	231.664	0.896	70	20	BCID	
O=S(=O)(Cl)c1cnc2n1CCOC2	97972411	BYGYFHSRHRHTBK-UHFFFAOYSA-N	222.653	0.341	70	20	BCID	
COCCN(CCO)C(=O)c1ccco1	160340849	NLPFRMQBKMQXEX-UHFFFAOYSA-N	213.233	0.361	70	20	BCID	
CSCC[C@H](N)C(=O)NCC[C@@H](O)C(C)C	160899470	IAGQKMSOXULHGX-VHSXEESVSA-N	248.392	0.590	70	20	BCID	
COCCC1(CNC(=O)NCC[C@H](C)O)CC1	160997326	HHOSLKBRFPGRNK-JTQLQIEISA-N	244.335	0.873	70	20	BCID	
COCCCC(=O)N1CC[C@H](CCN)C1	159994043	GIVAQAXQJPKMBY-JTQLQIEISA-N	214.309	0.610	70	20	BCID	
CNCCCC(=O)N(C)CCSC	160005866	MUXQGHOFMFRVGM-UHFFFAOYSA-N	204.339	0.807	70	20	BCID	
CCOCCCN1CCNC(=O)[C@@H]1C(C)C	160452809	VCXXBEVAEXFVHA-NSHDSACASA-N	228.336	0.869	70	20	BCID	
COC(=O)CCC(=O)Nc1c[nH]c(=O)c(C)c1	159431507	WZSHHUHORXUSAZ-UHFFFAOYSA-N	238.243	0.575	70	20	BCID	
CC(C)NS(=O)(=O)N1CC[C@H](N)C[C@H]1C	160948642	UAZPDBPLLUPWMU-BDAKNGLRSA-N	235.353	0.041	70	20	BCID	
CN(CCN1CCCC1)Cc1cnn(C)c1	161057770	SSRJMMNTADQCNW-UHFFFAOYSA-N	222.336	0.948	70	20	BCID	
Cn1cccc1C(=O)NC1(CO)CCC1	161092969	FMAMAYOBGFMRIP-UHFFFAOYSA-N	208.261	0.670	70	20	BCID	
Cn1nccc1Cn1nnnc1C(C)(C)C	161345848	KKBIBYRROPFRSS-UHFFFAOYSA-N	220.280	0.752	70	20	BCID	
CC(=O)N1CCN(c2nccc(N(C)C)n2)CC1	216635564	RYTPSVYBERHEOF-UHFFFAOYSA-N	249.318	0.211	70	20	BCID	
CSC[C@@](C)(O)CNC(=O)c1ccon1	217633585	OFIAHWJJDXOTMA-VIFPVBQESA-N	230.289	0.518	70	20	BCID	
CC[C@H](COC)NS(=O)(=O)c1cnn(C)c1	160315757	ABZVMENCDPHKGE-MRVPVSSYSA-N	247.320	0.123	70	20	BCID	
COCCNC(=O)N1CCc2ncncc2C1	218068677	QBLUHZWEMQHMHI-UHFFFAOYSA-N	236.275	0.191	70	20	BCID	
CC1=C(OS(=O)(=O)C(F)(F)F)COC1=O	136349419	QYJKUXKIJXNAHY-UHFFFAOYSA-N	246.162	0.683	70	20	BCID	
C[C@@H](O)C[C@@H](C)NC(=O)c1ccnnc1	159766620	RRAXAYOTJCBTOZ-HTQZYQBOSA-N	209.249	0.366	70	20	BCID	
O=C(CN[C@@H]1CCSC1)NCC(F)(F)F	160529307	NTOZUNXKPLXFDI-ZCFIWIBFSA-N	242.266	0.760	70	20	BCID	
CCS(=O)(=O)N(C)C[C@H](O)C1CC1	161439159	LIBWPSYYVFRKFD-QMMMGPOBSA-N	207.295	0.039	70	20	BCID	
C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](S(=O)(=O)F)C1	1615002185	PVRUFSXOFWQIET-PRJMDXOYSA-N	235.280	0.543	70	20	BCID	
O=c1ccccn1CCS(=O)(=O)Cl	157451902	COBBKZXJBVSLFB-UHFFFAOYSA-N	221.665	0.417	70	20	BCID	
COC[C@@H]1CCN(C(=O)N[C@@H]2CCOC2)C1	159567441	VUYCAYPWHJSYSU-NXEZZACHSA-N	228.292	0.453	70	20	BCID	
CS[C@H](C)CC(=O)NCCC(=O)N(C)C	159973429	QFONJJPYSUOYJZ-MRVPVSSYSA-N	232.349	0.723	70	20	BCID	
CC(C)C[C@H](CO)NC(=O)[C@@]1(O)CCSC1	160629506	DNNBYZHEVXPMQT-MWLCHTKSSA-N	247.360	0.378	70	20	BCID	
C[C@@H](CO)SCCn1ccccc1=O	160727300	CERUITJJNQMWCC-VIFPVBQESA-N	213.302	0.962	70	20	BCID	
CC(C)(N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	161105547	KGZQSAVTFAMELR-YIZRAAEISA-N	226.320	0.653	70	20	BCID	
COC[C@@H](O)CCNC(=O)C1(O)CCCCC1	161110806	CBUAHSWVWJOLEP-JTQLQIEISA-N	245.319	0.195	70	20	BCID	
O=C([C@H]1CCCS1)N1CC[C@@H]2CNC[C@@H]21	216991010	QSRVSHRWHOYYBP-KXUCPTDWSA-N	226.345	0.702	70	20	BCID	
O=C(NCCS(=O)(=O)F)c1cccs1	1615058031	XFNSEQOQZPGUGC-UHFFFAOYSA-N	237.277	0.777	70	20	BCID	
C[C@H](CO)SCc1nnnn1C1CC1	160738963	GIMDKNJIQOHTSB-ZCFIWIBFSA-N	214.294	0.622	70	20	BCID	
CCCNS(=O)(=O)N[C@H](C)c1ncc[nH]1	160803468	KVUNKNNEZNIROX-SSDOTTSWSA-N	232.309	0.305	70	20	BCID	
COC(=O)[C@](C)(O)CN(C)CCSC	160111366	FUKLHULGJHIMHC-SECBINFHSA-N	221.322	0.205	70	20	BCID	
COCCC(=O)N1CC[C@@H]([C@H](C)O)C1	159419145	IHZUKAAARMCEFG-DTWKUNHWSA-N	201.266	0.252	70	20	BCID	
O=S(=O)(Cl)C[C@H](F)[C@@H]1CCOC1	1537958745	IMKFSZBVZLYXTA-RITPCOANSA-N	216.661	0.930	70	20	BCID	
CC(C)(O)CCNC(C)(C)CC(N)=O	160306117	GUNXWOVXIIQPJS-UHFFFAOYSA-N	202.298	0.391	70	20	BCID	
CNC(=O)c1ccc(S(=O)(=O)F)cc1	675065670	MIMIFQGFZBLUEB-UHFFFAOYSA-N	217.221	0.704	70	20	BCID	
CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]1CSCN1	159816308	VQVZIICBMFFMPT-CIUDSAMLSA-N	232.349	0.172	70	20	BCID	
CCOC(=O)CN1c2ccccc2C[C@H]1C(N)=O	159848322	GZMKXQGUWPUTGW-NSHDSACASA-N	248.282	0.466	70	20	BCID	
CC(=O)N[C@H]1CCN(CCC(C)(C)O)C1	160320262	MGLDZQHSSVVQFF-JTQLQIEISA-N	214.309	0.358	70	20	BCID	
COCCC1(C(=O)NCCN(C)C)CC1	161386015	UDRJLHILEGRSAO-UHFFFAOYSA-N	214.309	0.481	70	20	BCID	
CC[C@@H](N)C(=O)N(C)CCC1CCOCC1	161403472	RBRJHVKELAMZLQ-LLVKDONJSA-N	228.336	0.999	70	20	BCID	
CCCN(CCO)CCCCS(C)(=O)=O	161442387	YKODTBDGTLPKPD-UHFFFAOYSA-N	237.365	0.516	70	20	BCID	
c1cnc(N2CCC[C@@H]2CN2CCOCC2)nc1	160384950	KYHSEHCRIBSRIH-GFCCVEGCSA-N	248.330	0.778	70	20	BCID	
C[C@H](CO)CNC(=O)COCC1CC1	160483220	ZWTLJSBESULTTB-QMMMGPOBSA-N	201.266	0.158	70	20	BCID	
CC(C)NC(=O)CN(C)C(=O)C1(C)CC1	159486252	YLGSUDOPIMEEOX-UHFFFAOYSA-N	212.293	0.770	70	20	BCID	
Cc1cn2c(nc1=O)O[C@H](CBr)C2	140380664	RUQBTXBBNDPPPR-ZCFIWIBFSA-N	245.076	0.708	70	20	BCID	
CCOC(=O)CN1CC[C@H]([C@@H](C)N)C1	160612957	BKHMNGAAFPBPON-BDAKNGLRSA-N	200.282	0.219	70	20	BCID	
CO[C@@H](C)C(=O)N[C@](C)(CN)C1CC1	160934652	RUKQLCXKISJAJH-OIBJUYFYSA-N	200.282	0.265	70	20	BCID	
CC(C)OC(=O)CN1CCC[C@@](C)(O)C1	160996436	DJCRWPPNUMGZEO-LLVKDONJSA-N	215.293	0.785	70	20	BCID	
NC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1	160998950	ZNMQTBRCWOQTIG-VHSXEESVSA-N	240.303	0.279	70	20	BCID	
Cc1cc(CNC(=O)c2cccc(=O)n2C)on1	161216017	DVYLQGXXVIANOL-UHFFFAOYSA-N	247.254	0.612	70	20	BCID	
CNC(=O)[C@@H](C)NC(=O)C[C@@H](C)c1ccncc1	161296392	XDLMJCCNPRYNLC-NXEZZACHSA-N	249.314	0.826	70	20	BCID	
CN(CCO)C(=O)NCc1ccccc1F	217314007	QRZSLUUCFCWZNS-UHFFFAOYSA-N	226.251	0.959	70	20	BCID	
CCc1ncnc(N[C@H](C)CC(N)=O)c1F	218037836	KJQOBUOLVDGNOQ-ZCFIWIBFSA-N	226.255	0.854	70	20	BCID	
CCCS(=O)(=O)N1CCc2ncncc2C1	218076777	JZXWMACKBVBQJO-UHFFFAOYSA-N	241.316	0.575	70	20	BCID	
Cc1noc(CN2CC[C@H](N)C[C@H]2C)n1	218610115	LVYMKIRHNQKENC-APPZFPTMSA-N	210.281	0.690	70	20	BCID	
C[C@H]1CN(CCS(=O)(=O)Cl)C[C@H](C)O1	307182723	VTBOCQLHLWADKF-YUMQZZPRSA-N	241.740	0.664	70	20	BCID	
O=C(Cc1ccon1)N1CCOC[C@H]1C1CC1	161271986	XDAAGNBESOWUCH-NSHDSACASA-N	236.271	0.855	70	20	BCID	
CCOCCCC(=O)N(CC(N)=O)CC(C)C	159716228	DMDAGQYNLRGGJJ-UHFFFAOYSA-N	244.335	0.773	70	20	BCID	
CC(C)C[C@@H](CO)NC(=O)[C@H]1CCCN1C	160950030	FEOSAOJIKOKJDJ-WDEREUQCSA-N	228.336	0.604	70	20	BCID	
COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)Cl	100488699	AXFYZSWSTCZCQT-WDSKDSINSA-N	226.681	0.897	70	20	BCID	in-vitro
CCc1ncnc(NCCC(=O)NC)c1F	217980133	NBAYYCNLWXLDNZ-UHFFFAOYSA-N	226.255	0.726	70	20	BCID	
CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C(C)(C)C	159633400	GUPKKCHJRBEPHU-IONNQARKSA-N	230.308	0.034	70	20	BCID	
CC[C@@H]1COCCN1C(=O)N[C@@H]1CCOC1	159569432	UEHXLRDXTSEPMD-NXEZZACHSA-N	228.292	0.596	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)c2ccc(C)o2)C1	159577858	WZFFFKCUXBSVFN-SNVBAGLBSA-N	236.271	0.939	70	20	BCID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC(=O)N1	159701949	KDCCYDBZUJKOSE-GUBZILKMSA-N	224.304	0.960	70	20	BCID	
CC[C@@H](C)[C@@H](O)CNC(=O)CCNC(C)C	159817819	DPEYZPUUKCUSOQ-MNOVXSKESA-N	230.352	0.898	70	20	BCID	
CCc1nsc(N2CCN(C)CC2)n1	218574080	FYCSGQPWJHOWEG-UHFFFAOYSA-N	212.322	0.852	70	20	BCID	
O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1CCCO1	160081822	ZFGLAQXUCSZRFW-LPEHRKFASA-N	213.277	0.443	70	20	BCID	
C[C@@H](CNCCS(C)(=O)=O)N(C)C1CC1	218564076	UIKKWLIXCVTWAX-VIFPVBQESA-N	234.365	0.103	70	20	BCID	
CCNCCNC(=O)[C@]1(C)CCCNC1	161274827	ILFPCJRMAFLYPP-LLVKDONJSA-N	213.325	0.102	70	20	BCID	
COCCOCCNC(=O)C[C@H](C)SC	161129807	FHDPTVSQSBTKRX-VIFPVBQESA-N	235.349	0.907	70	20	BCID	
CCCNC(=O)CNC(=O)[C@H]1CCCCO1	161363245	SUNLONJHJNUUCH-SECBINFHSA-N	228.292	0.198	70	20	BCID	
Cc1cc(C)c(C(=O)N(C)CC(=O)NC2CC2)[nH]1	160008101	IGKKYJRWKUKOER-UHFFFAOYSA-N	249.314	0.982	70	20	BCID	
CC[C@@]1(C)C[C@@H]1C(=O)NCC(=O)NC1CC1	160160630	JPXUZGMBFDMBLB-SKDRFNHKSA-N	224.304	0.817	70	20	BCID	
COCC(C)(C)C(=O)N(C)CC(=O)N(C)C	160262232	BEGYTGPWHVEUSS-UHFFFAOYSA-N	230.308	0.206	70	20	BCID	
C[C@@H]1CC[C@@H](NS(=O)(=O)NC2CC2)C1	160465492	CTAKYZLSKQLDBJ-VXNVDRBHSA-N	218.322	0.761	70	20	BCID	
CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159614634	UHHJFXIMRNAINF-AXFHLTTASA-N	225.336	0.323	70	20	BCID	
O=C(NC1CCSCC1)N[C@H]1CCOC1	159412272	MKNMLGYPPONJPK-VIFPVBQESA-N	230.333	0.970	70	20	BCID	
CCC[C@H](O)CNC(=O)[C@H](CC)N(C)C	160421633	OWYDQPQDRFVCQZ-UWVGGRQHSA-N	216.325	0.604	70	20	BCID	
COC(=O)[C@H]1CCCN1C[C@H](C)CO	160944518	YNCZDGOVBCHUPZ-DTWKUNHWSA-N	201.266	0.252	70	20	BCID	
CNCCC(=O)NC[C@@H](C)N1CCCC1	161068613	ICNRMDGMVKVHOZ-SNVBAGLBSA-N	213.325	0.196	70	20	BCID	
CCOC(=O)CN(C)C(=O)c1ccn(C)n1	218198481	SJJQGPRBHKYXOB-UHFFFAOYSA-N	225.248	0.055	70	20	BCID	
CO[C@@H]1COCC[C@H]1S(=O)(=O)Cl	306385342	FVTGPJYFSQGAIZ-PHDIDXHHSA-N	214.670	0.359	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)Cc1ccn[nH]1	161233438	IFOQSNZRVGMOTC-JTQLQIEISA-N	222.292	0.163	70	20	BCID	
CCCNS(=O)(=O)N1CC[C@H](N)C[C@@H]1C	160947048	ADCXOPVAAPMRCS-IUCAKERBSA-N	235.353	0.042	70	20	BCID	
Cc1cc(C(=O)NC2(CO)CCC2)on1	161093095	GOTKPDPBZPQARA-UHFFFAOYSA-N	210.233	0.628	70	20	BCID	
CO[C@H]1COCC[C@@H]1S(=O)(=O)Cl	306385346	FVTGPJYFSQGAIZ-WDSKDSINSA-N	214.670	0.359	70	20	BCID	
C[C@H](Oc1cccnc1)C(=O)NCCCN	160129659	MJYRGMGHGMNROJ-VIFPVBQESA-N	223.276	0.314	70	20	BCID	
CC[C@H](O)CCNC(=O)NC1CCN(C)CC1	160714879	NRGJYJHYHUIRNX-NSHDSACASA-N	243.351	0.541	70	20	BCID	
CC[C@H](C)c1cc(C(=O)NCC(N)=O)on1	159847698	GYRDWGXNJDYDHO-LURJTMIESA-N	225.248	0.403	70	20	BCID	
CC[C@]1(C)C[C@H]1C(=O)NCC(=O)N(C)C	159908193	JWYIQNIEANFFJA-GZMMTYOYSA-N	212.293	0.627	70	20	BCID	
CC(C)[C@H](O)CCNC(=O)[C@@H]1CSCN1	160896186	UNEVYBZBLUOXHS-DTWKUNHWSA-N	232.349	0.172	70	20	BCID	
Cc1cc(CNC(=O)N[C@@H]2CCOC2)on1	159398113	LRPWLYFHHCCGAV-MRVPVSSYSA-N	225.248	0.571	70	20	BCID	
O=C(NC[C@@H]1CCCCO1)N[C@H]1CCOC1	159422845	PALPEYQABFXNCE-UWVGGRQHSA-N	228.292	0.644	70	20	BCID	
C[C@H](Sc1ccccn1)C(=O)NCCO	159438699	VJLDGZUMGDWWMR-QMMMGPOBSA-N	226.301	0.671	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCCOC1	160582826	CVCGWHZWWYXSOA-UWVGGRQHSA-N	243.303	0.871	70	20	BCID	
C[C@@H]1OCC[C@H]1NC(=O)NCCn1ccnc1	160616139	NSQDZUYQFYVOLN-VHSXEESVSA-N	238.291	0.360	70	20	BCID	
CC(C)(CCO)NC(=O)[C@H]1CCCOC1	160779164	LMSMOWDGABQQTA-VIFPVBQESA-N	215.293	0.690	70	20	BCID	
Cc1cc(C(=O)N2CC[C@@H]3CNC[C@@H]32)n[nH]1	216971054	NCKMXCXMTOXHJH-SCZZXKLOSA-N	220.276	0.152	70	20	BCID	
CCN(CC(=O)OC)C(=O)c1cncs1	218214509	YMEWZFBMPPQVHU-UHFFFAOYSA-N	228.273	0.778	70	20	BCID	
CCCN1CCCN(C(=O)[C@@H]2CCOC2)CC1	160376714	BKHQJLPFSPZCRU-GFCCVEGCSA-N	240.347	0.967	70	20	BCID	
CCCCC(=O)NCC1CCN(CCO)CC1	160674175	DZNYKEAGXJRVEF-UHFFFAOYSA-N	242.363	0.997	70	20	BCID	
CC[C@H](C)[C@H](O)CNC(=O)[C@@H](N)CCSC	159817166	ZJCKRIDUGOEVPG-LPEHRKFASA-N	248.392	0.590	70	20	BCID	
COCCN(CCO)Cc1cnc(N)s1	161281959	ZELHLSQHXXUYKT-UHFFFAOYSA-N	231.321	0.166	70	20	BCID	
CO[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1CN	160937834	OJQWBXYQKRYIEX-AEJSXWLSSA-N	214.309	0.607	70	20	BCID	
C[C@@]1(C(=O)NCC2CCNCC2)CCCNC1	161267593	RLYZCFWYVBDMKB-CYBMUJFWSA-N	239.363	0.492	70	20	BCID	
O=c1ccc(Cl)cn1CCS(=O)(=O)F	883954077	YBGZLEISONMZFA-UHFFFAOYSA-N	239.655	0.801	70	20	BCID	
O=C(NCCn1ccnc1)NC1CC=CC1	160291975	SMCQUKBEDLQSFQ-UHFFFAOYSA-N	220.276	0.901	70	20	BCID	
OCCCN(CCO)Cc1cnc2ccccn12	160331190	ISYZTKHTROWYKR-UHFFFAOYSA-N	249.314	0.511	70	20	BCID	
CN(C)C(=O)CC(=O)NCC1(N)CCCCC1	159479266	YBKUOGOGMNJXOG-UHFFFAOYSA-N	241.335	0.243	70	20	BCID	
COCCOCC(=O)NC[C@@H](C)C1CC1	218763048	UQDXNFPUZFDGJT-SECBINFHSA-N	215.293	0.812	70	20	BCID	
Cc1nonc1CN1CCC[C@@](C)(O)C1	161015520	REJLWRHXPKTBTL-SNVBAGLBSA-N	211.265	0.725	70	20	BCID	
Cc1cc([N+](=O)[O-])nn1CCS(=O)(=O)F	883954038	WQDMOOXLWQJWMU-UHFFFAOYSA-N	237.212	0.399	70	20	BCID	
Cn1ncc(S(=O)(=O)F)c1Br	306864676	KVLCSLXAXRRVBG-UHFFFAOYSA-N	243.057	0.841	70	20	BCID	
C[C@H](CS(=O)(=O)F)C1CCNCC1	258101775	NZEIVSSWUCTACU-SSDOTTSWSA-N	209.286	0.921	70	20	BCID	
COC[C@H](O)CCNC(=O)CCc1ccoc1	161110450	VUFSTDYXMNKGIH-LLVKDONJSA-N	241.287	0.726	70	20	BCID	
N[C@H](CNC(=O)c1csnn1)C1CC1	160129306	ILQXQMFMFQVPKO-ZCFIWIBFSA-N	212.278	0.005	70	20	BCID	
C[C@@H](CO)N(C)C(=O)CCOC[C@H]1CCCO1	160497066	LMMHFWQTRKKVPC-WDEREUQCSA-N	245.319	0.411	70	20	BCID	
CN(C[C@H]1CCCN1C)C(=O)N[C@@H]1CCOC1	160668769	CSGMGVPDMLKQAH-GHMZBOCLSA-N	241.335	0.511	70	20	BCID	
CC(C)C[C@@H](CO)NC(=O)C1CC(=O)C1	160933135	WXALOPLGTCKDAB-VIFPVBQESA-N	213.277	0.489	70	20	BCID	
C[C@@H](CCO)CNC(=O)COC[C@H]1CCCO1	160941863	CAIVZUFNWSCLDA-WDEREUQCSA-N	245.319	0.317	70	20	BCID	
COCCNC(=O)NCC1(OC)CCOCC1	160943376	UIQLNRBBARTYPL-UHFFFAOYSA-N	246.307	0.128	70	20	BCID	
CC[C@@H](COC)NC(=O)N[C@H]1CCOC1	159413575	LDUQOJXNLCPNDD-IUCAKERBSA-N	216.281	0.500	70	20	BCID	
N#C[C@]1(CS(=O)(=O)F)CCCNC1	1887448351	VEAWWBALHHJXCQ-SSDOTTSWSA-N	206.242	0.179	70	20	BCID	
O=C(NCCS(=O)(=O)Cl)c1ccccc1	100634680	TYMYMFPBZGPBOH-UHFFFAOYSA-N	247.703	0.985	70	20	BCID	
CCOCCOCCCS(=O)(=O)Cl	113222171	TYDWZPWMJIDESP-UHFFFAOYSA-N	230.713	0.998	70	20	BCID	
CCN(CCCO)C(=O)c1cccnc1	160305990	LUVZQPYEXLTRMF-UHFFFAOYSA-N	208.261	0.926	70	20	BCID	
CCN(CCNC(=O)CCC(C)=O)C1CC1	217915723	BPPXWINVEZTVBP-UHFFFAOYSA-N	226.320	0.956	70	20	BCID	
C[C@H](CO)N(C)C(=O)CCOC[C@H]1CCCO1	160497197	LMMHFWQTRKKVPC-GHMZBOCLSA-N	245.319	0.411	70	20	BCID	
C[C@@H](CO)S[C@H](C)C(=O)NC1CC1	160730692	CECRQRUPRITFAJ-NKWVEPMBSA-N	203.307	0.768	70	20	BCID	
CCc1nnc(S(=O)(=O)Cl)n1C	159502211	LWCASZCKSRSXFT-UHFFFAOYSA-N	209.658	0.305	70	20	BCID	
CC[C@](C)(O)CN[C@@H]1C[C@H](O)C1(C)C	159562345	TXBVFZJBNPLHIS-YWVKMMECSA-N	201.310	0.896	70	20	BCID	
CC(C)CC(=O)NCCC(=O)NCCCN	160013189	MAZCGPFYWOWUAO-UHFFFAOYSA-N	229.324	0.004	70	20	BCID	
COCCOCCN1CC[C@@H](CCN)C1	160048899	POGUZRHFCHTFDP-LLVKDONJSA-N	216.325	0.320	70	20	BCID	
COc1cc(NC[C@]2(OC)CCOC2)ncn1	160650869	NLTMQBMGRKLGHL-LLVKDONJSA-N	239.275	0.703	70	20	BCID	
O=C(C[C@@H]1CCCO1)NC1(CO)CCC1	161092131	RZSOZIRBAZHUKR-VIFPVBQESA-N	213.277	0.587	70	20	BCID	
C[C@H](O)CCN(C)Cc1cnc(N)s1	161285898	FNYMDCWCGKARFA-ZETCQYMHSA-N	215.322	0.928	70	20	BCID	
CCC[C@@H](O)CNC(=O)[C@H](CC)N(C)C	160421763	OWYDQPQDRFVCQZ-ZJUUUORDSA-N	216.325	0.604	70	20	BCID	
CC[C@@H](Oc1cc(C)ccc1C(N)=O)C(N)=O	159382221	LNTGMCAAUJGXIL-SECBINFHSA-N	236.271	0.737	70	20	BCID	
COCCC(=O)N1CC[C@@H]([C@@H](C)O)C1	159419293	IHZUKAAARMCEFG-RKDXNWHRSA-N	201.266	0.252	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](CC)N(C)C	159557772	LZMVSKCDAUWJJH-VHSXEESVSA-N	244.335	0.785	70	20	BCID	
Cc1n[nH]cc1CN1CCC(CC(N)=O)CC1	159840694	GMHUXFLYGVEVFT-UHFFFAOYSA-N	236.319	0.806	70	20	BCID	
CCC1(CO)CCN(C(=O)NCCOC)CC1	160732232	OPUXPLBJLNDMLZ-UHFFFAOYSA-N	244.335	0.827	70	20	BCID	
CCC[C@@H](O)CNCc1cc(C)nn1C	217902962	CSENHRBXCWECCM-LLVKDONJSA-N	211.309	0.979	70	20	BCID	
C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1	218086367	VPSRNIPVBIDSKF-YIZRAAEISA-N	210.277	0.570	70	20	BCID	
Cc1cc(C(=O)N[C@@H]2CCC[C@@H](N)C2)no1	161145682	NSGDOZSXZVOHQG-RKDXNWHRSA-N	223.276	0.983	70	20	BCID	
CCOC(=O)[C@@H](N)C(=O)Nc1ccsc1	160116462	XIQAHWPNBPBIEY-ZETCQYMHSA-N	228.273	0.577	70	20	BCID	
C[C@H](CNC(=O)CCCN)N1CCCC1	161015184	DBXWVWOOLABQAJ-SNVBAGLBSA-N	213.325	0.326	70	20	BCID	
C[C@@H](CCCO)NC(=O)c1ccn(C)n1	217868530	NLRYRCMPVOPQID-QMMMGPOBSA-N	211.265	0.311	70	20	BCID	
N[C@H]1CCC[C@@H](NC(=O)[C@H]2CCCCN2)C1	160963432	ODTYGLIAGVGRCG-HBNTYKKESA-N	225.336	0.515	70	20	BCID	
CNC[C@H](C)C(=O)N1CC[C@]2(CCNC2)C1	159392231	GJIGOOXYBKLRIA-JQWIXIFHSA-N	225.336	0.054	70	20	BCID	
CCOC[C@H]1CCCN(C(=O)[C@@H](N)CC)C1	160066722	IBDMPDRMDUKOKN-QWRGUYRKSA-N	228.336	0.999	70	20	BCID	
NC[C@@H]1CN(C(=O)C2CC=CC2)CCO1	159517349	PDECPWWCQRDIHY-SNVBAGLBSA-N	210.277	0.139	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)CCC2CC2)C1	159648865	VCNMETVIFQARSZ-NSHDSACASA-N	224.304	0.914	70	20	BCID	
CO[C@@H](C)C(=O)NC[C@@]1(C)CCCO1	160823861	ALBKQCOEXXARCI-WCBMZHEXSA-N	201.266	0.707	70	20	BCID	
C[C@H](CCO)CNC(=O)COC[C@@H]1CCCO1	160941727	CAIVZUFNWSCLDA-MNOVXSKESA-N	245.319	0.317	70	20	BCID	
CCC[C@@H](O)CN[C@@H]1CCCNC(=O)C1	217862365	VEOYLGXYXLVVCA-NXEZZACHSA-N	214.309	0.406	70	20	BCID	
CCC[C@@H](C)CC(=O)NC[C@@H](O)COC	159440923	QDNXEQDLKNJCSG-NXEZZACHSA-N	217.309	0.936	70	20	BCID	
O=C1O[C@H](CS(=O)(=O)Cl)CC1(F)F	236141578	PNBDWLRGASCQRU-VKHMYHEASA-N	234.607	0.506	70	20	BCID	
C[C@H]1COCCN1C(=O)[C@@H]1CCCCO1	161232217	QDNWGTQZFJHFGG-UWVGGRQHSA-N	213.277	0.803	70	20	BCID	
C[C@H](CO)NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160548633	XYUNMTZWSLMGNQ-IEBDPFPHSA-N	242.319	0.624	70	20	BCID	
CC[C@@H]1CCC[C@@H]1NC(=O)CNC(C)=O	159576759	KUIMLLUHCPFZJN-ZJUUUORDSA-N	212.293	0.817	70	20	BCID	
C[C@H](O)CN(C)[C@@H]1CCN(C2CC2)C1=O	159509773	HXJUYUNYVIQHNA-WCBMZHEXSA-N	212.293	0.062	70	20	BCID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1cn[nH]c1	160288363	HNYHSHWSWIBJPM-UHFFFAOYSA-N	245.304	0.562	70	20	BCID	
O=C([C@@H]1CCCNC1)N1C[C@@H]2CCC[C@H](C1)N2	160740661	BSIIBGWJIXOWKD-UTUOFQBUSA-N	237.347	0.339	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)CNC2CC2)C1	160757137	CAYCJPYMDYMWNE-PSASIEDQSA-N	211.309	0.125	70	20	BCID	
CCNC(=O)CNCc1ccnn1CC	159892700	JQFYRBRKDLQWSB-UHFFFAOYSA-N	210.281	0.129	70	20	BCID	
C[C@@H](O)CNC(=O)c1cccc(OCCO)c1	160003604	UTIJINQGXXVZQI-SECBINFHSA-N	239.271	0.168	70	20	BCID	
CCC(CC)(CNCCO)C(=O)OC	159673732	METIAFJQWXADRL-UHFFFAOYSA-N	203.282	0.548	70	20	BCID	
CC(C)[C@H](O)CCNC(=O)C(C)(C)N	160897166	CEAAGGGXPDVESR-MRVPVSSYSA-N	202.298	0.247	70	20	BCID	
N[C@H]1CCC[C@H](NC(=O)CCn2cccn2)C1	161436993	MHYPHLCIPPLHJG-QWRGUYRKSA-N	236.319	0.659	70	20	BCID	
C[C@@H](C(=O)N(C)C)N1CCC[C@@H](N(C)C)C1	217146625	FKJJRDLOUSEZJL-WDEREUQCSA-N	227.352	0.489	70	20	BCID	
C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCc2ncnn2C1	161073280	OHTHCQZEGHHMEC-IWSPIJDZSA-N	235.291	0.301	70	20	BCID	
CCOCCS(=O)(=O)NCc1ccncc1	159494077	SKZYTEKWTNABBC-UHFFFAOYSA-N	244.316	0.538	70	20	BCID	
Cc1nccc(C(=O)N[C@@H]2CCC[C@H](N)C2)n1	161085122	QPLZWCQUMLWXKP-VHSXEESVSA-N	234.303	0.785	70	20	BCID	
C[C@@H](O)CCN(C)C(=O)N[C@H]1CCOC1	159551835	HPNMMUNNRREHSY-BDAKNGLRSA-N	216.281	0.188	70	20	BCID	
CC[C@@H](CCO)NC(=O)N[C@@H]1CCOC1	159540267	PVOWEIANHVREOR-DTWKUNHWSA-N	216.281	0.236	70	20	BCID	
COCCN(CCO)C(=O)c1cscn1	160341279	HUYLSVSZNOAUJZ-UHFFFAOYSA-N	230.289	0.224	70	20	BCID	
COCCC(=O)N[C@H](CCO)C(C)C	160492340	STFQTKKKRNLPIT-SECBINFHSA-N	203.282	0.546	70	20	BCID	
Cc1cc(N[C@@H]2CCN(C)C2=O)ncn1	217495702	WQOCWSAADHCOQT-MRVPVSSYSA-N	206.249	0.428	70	20	BCID	
Cn1ccc(C(=O)N2CCC(O)CC2)n1	218027938	QUNGBQZKQMOUGG-UHFFFAOYSA-N	209.249	0.017	70	20	BCID	
COCCCCNC(=O)N1CCC[C@](C)(O)C1	160353795	PQWNYPUNXWAYQM-LBPRGKRZSA-N	244.335	0.969	70	20	BCID	
CC[C@H]1CCC[C@@H]1NC(=O)CSCC(N)=O	159687219	MGJVUZLEBDYDFX-IUCAKERBSA-N	244.360	0.900	70	20	BCID	
O=C(NC1CCC1)c1cc(S(=O)(=O)F)c[nH]1	1340625171	NKLJKGOWPYGJOX-UHFFFAOYSA-N	246.263	0.955	70	20	BCID	
O=C(N[C@@H]1CCOC1)N1CCO[C@H]2CCC[C@H]21	159453046	UFTJOONKUULEDJ-MXWKQRLJSA-N	240.303	0.738	70	20	BCID	
CC(C)OC(=O)CCCNC(=O)CN(C)C	159376344	KAMPXYPLBLAPKB-UHFFFAOYSA-N	230.308	0.396	70	20	BCID	
CC(C)c1nnc(S(=O)(=O)Cl)n1C	133419461	LXEDAFNNHKLYEX-UHFFFAOYSA-N	223.685	0.866	70	20	BCID	
Cc1[nH]ncc1C(=O)N[C@@]1(C)CCOC1	160212044	LLKREHYMEZSACM-JTQLQIEISA-N	209.249	0.627	70	20	BCID	
CCN(CCCO)C(=O)C[C@H](C)COC	160324512	SLUNJRHAZXWBLW-JTQLQIEISA-N	217.309	0.890	70	20	BCID	
CN(C)C(=O)CN(C)[C@@H]1CCCC[C@@H]1O	160769524	NGJYBOVCVMNTFB-ZJUUUORDSA-N	214.309	0.310	70	20	BCID	
CCOC(=O)CNC(=O)C[C@H](C)SC	160298169	HBASDMPFDGLBRX-ZETCQYMHSA-N	219.306	0.807	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccon1	160409889	OHHMMJBNAGWFPP-SSDOTTSWSA-N	226.232	0.746	70	20	BCID	
CCC(=O)N1CCCN(CC(OC)OC)CC1	160651019	VJVJMBXFLVNDON-UHFFFAOYSA-N	244.335	0.550	70	20	BCID	
CCn1ccnc1CN(CCOC)CCOC	160708709	ABUCKOOQQTUYIE-UHFFFAOYSA-N	241.335	0.998	70	20	BCID	
C[C@@]1(O)CCCN(c2ncc(F)cn2)C1	160846038	GGKQVOPVHNTLPG-SNVBAGLBSA-N	211.240	0.967	70	20	BCID	
CC[C@@H](O)CCNC(=O)c1ccn(C)n1	218093996	DMIWSISPDYVZRT-MRVPVSSYSA-N	211.265	0.311	70	20	BCID	
CNC(=O)C1(C(=O)N[C@H](CO)CC(C)C)CC1	160646346	JIPXOKTWDWQSGA-VIFPVBQESA-N	242.319	0.036	70	20	BCID	
CSCCN(C)C(=O)[C@@H]1CC[C@H](N)C1	160014141	DUZDLFSVFHISNE-BDAKNGLRSA-N	216.350	0.935	70	20	BCID	
C[C@@H](O)C[C@H]1CCCN1CCCCO	159384388	SEMHJSUWQHWTMA-GHMZBOCLSA-N	201.310	0.994	70	20	BCID	
Cc1noc(CSCCN2CCOCC2)n1	159787512	BUTSXXCGCZGJKA-UHFFFAOYSA-N	243.332	0.943	70	20	BCID	
CC[C@@H](C)OCC(=O)N(C)C[C@H](C)O	160091522	ZTGRSZHRSXDKSY-DTWKUNHWSA-N	203.282	0.641	70	20	BCID	
CCOC(=O)c1ccc(S(N)(=O)=O)s1	217742235	RQSGIYNOGDUMIK-UHFFFAOYSA-N	235.286	0.572	70	20	BCID	
CC(C)NCCCNS(=O)(=O)NC(C)C	160825505	CSTWISDMPBASBC-UHFFFAOYSA-N	237.369	0.207	70	20	BCID	
CCO[C@H](C)C(=O)N[C@H](CO)CC(C)C	160919090	ATWJGKAONZQYCB-ZJUUUORDSA-N	217.309	0.935	70	20	BCID	
CO[C@H](C)C(=O)N1CCC[C@@H]([C@@H](C)N)C1	160937046	FUJFKSSJJFZSAP-OPRDCNLKSA-N	214.309	0.607	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)CCOCCOC	161348025	AIOMNRSJNVVVPW-NSHDSACASA-N	244.335	0.250	70	20	BCID	
CC(C)OCC(=O)N[C@@H]1CCC[C@@H]1CO	217894511	DHMQWQCPJAIWSR-NXEZZACHSA-N	215.293	0.689	70	20	BCID	
CCC[C@@H](C)NC(=O)[C@@H](N)C(=O)OCC	160039998	XWOHBPMFRVAUQC-HTQZYQBOSA-N	216.281	0.182	70	20	BCID	
CCNCCNC(=O)C1CCN(C)CC1	218647776	CWJMZUTWCGWJQG-UHFFFAOYSA-N	213.325	0.054	70	20	BCID	
C[C@@H]1CN(CCCCS(C)(=O)=O)[C@H](C)CO1	161388649	FIPBLVSKAXCEAW-GHMZBOCLSA-N	249.376	0.920	70	20	BCID	
CC1(C)CN(C(=O)CC2CC2)CCS1(=O)=O	160164112	LNIIXPKZFCVZNN-UHFFFAOYSA-N	245.344	0.822	70	20	BCID	
O=C(NCC1=CCNCC1)c1ccon1	160512620	ZBYBASYIOHBSDH-UHFFFAOYSA-N	207.233	0.324	70	20	BCID	
CO[C@H](C)CN(C)S(=O)(=O)Cl	307689058	MTFNYURJGPZURG-RXMQYKEDSA-N	201.675	0.437	70	20	BCID	
COC[C@@H](C)NC(=O)[C@@]1(C)CCCCN1	159555356	DMAGUKDXWPDNTE-MWLCHTKSSA-N	214.309	0.670	70	20	BCID	
CO[C@H](C)C(=O)N[C@@](C)(CN)CC(C)C	160938627	AIECMXJHUUTJHD-MWLCHTKSSA-N	216.325	0.901	70	20	BCID	
CSCC[C@@H](C)N(C)C[C@H](O)CO	160394249	QXIOAKYKXWJPCL-BDAKNGLRSA-N	207.339	0.413	70	20	BCID	
CCN(CC)C(=O)N[C@H]1CCN(C)C1=O	160473734	DZHBTGWIALJGQN-QMMMGPOBSA-N	213.281	0.269	70	20	BCID	
CCCCN(CCO)S(=O)(=O)NCCC	160669179	ALPWYEJGTUVRMO-UHFFFAOYSA-N	238.353	0.325	70	20	BCID	
Cc1cn(CCS(=O)(=O)F)ccc1=O	883954854	IOHXMLFRGCWECD-UHFFFAOYSA-N	219.237	0.456	70	20	BCID	
C[C@@H]1CC[C@@H](C)N1C(=O)CCS(C)(=O)=O	161453363	XLOKFSYIPBZKJZ-RKDXNWHRSA-N	233.333	0.821	70	20	BCID	
CC[C@H](C(N)=O)N1CCC[C@@H]1C[C@@H](C)O	159381953	QRDYMDGMIVDGPJ-OPRDCNLKSA-N	214.309	0.486	70	20	BCID	
Nc1ccccc1C(=O)N1CCC[C@@H](N)C1	161262392	BBSJCECYDLVCOD-SECBINFHSA-N	219.288	0.832	70	20	BCID	
CCCSCC(=O)N(C)[C@H](C)CO	160426894	BOIOSRSUYWKKNB-MRVPVSSYSA-N	205.323	0.969	70	20	BCID	
CCN(CCCO)C(=O)[C@@H]1CCO[C@H]1C	161403539	GAIPKTUACAZAEG-VHSXEESVSA-N	215.293	0.642	70	20	BCID	
O=C1CC2(CCC2)C(=O)N1CCS(=O)(=O)F	883953950	RYDXDKYYICZPFA-UHFFFAOYSA-N	249.263	0.215	70	20	BCID	
CCNC(=S)N1CCN(CC)[C@H](C)C1	159745284	GXRLTZBMFMJLSD-SECBINFHSA-N	215.366	0.907	70	20	BCID	
C[C@H](CO)NC(=O)N[C@H]1CCO[C@H](C2CC2)C1	160548766	XYUNMTZWSLMGNQ-MIMYLULJSA-N	242.319	0.624	70	20	BCID	
CC(C)[C@H](CO)N[C@@H]1CCCNCC1	160691532	VPJNALYIBGUIBK-MNOVXSKESA-N	200.326	0.735	70	20	BCID	
CSCCC(=O)N[C@@H]1CCN(C(C)=O)C1	159683915	FVTLSSCIWGQGBI-SECBINFHSA-N	230.333	0.477	70	20	BCID	
COC(=O)[C@H]1CC[C@H](S(=O)(=O)Cl)C1	675051396	RSYCXMCADYKZPW-WDSKDSINSA-N	226.681	0.897	70	20	BCID	
CSCCN(C)C(=O)[C@]1(C)CCCN1	159598610	GGOCJNLFLBEBOI-JTQLQIEISA-N	216.350	0.950	70	20	BCID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(N)=O	160742540	OUFVUBOGAPMGJG-SFYZADRCSA-N	238.312	0.762	70	20	BCID	
CO[C@@H](C)C(=O)NCC(=O)C(C)(C)C	161007034	IWQIIALLLCRIRB-ZETCQYMHSA-N	201.266	0.753	70	20	BCID	
CCN(CCCO)Cc1cnc(N)s1	161300810	XIGMGPVHTKDNLY-UHFFFAOYSA-N	215.322	0.930	70	20	BCID	
CSc1cc(C(=O)NCC(N)=O)ccc1F	161248300	HDXSKTWFRNILSR-UHFFFAOYSA-N	242.275	0.763	70	20	BCID	
CCO[C@@H]1CCCN(C(=O)N[C@H]2CCOC2)C1	159384273	SVSABNKTOXGODX-WDEREUQCSA-N	242.319	0.986	70	20	BCID	
Cn1cc(CC(=O)N[C@@H]2CCC[C@H](N)C2)cn1	161204546	ZIPMSAMDZDHMIO-WDEREUQCSA-N	236.319	0.349	70	20	BCID	
CC(C)(C)n1cc(CN2CCNC(=O)C2)cn1	160514156	HNRBJKFOVYPLKB-UHFFFAOYSA-N	236.319	0.570	70	20	BCID	
CC(=O)[C@H]1CCCCN1S(=O)(=O)NC(C)C	160600339	YXPBNCAPOWJYML-SNVBAGLBSA-N	248.348	0.673	70	20	BCID	
N[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2)C1	161414863	NECALYFIFRQPRB-AEJSXWLSSA-N	211.309	0.125	70	20	BCID	
CCCNS(=O)(=O)N[C@@H]1CCCC[C@@H]1O	160676208	KLOHHEQCOMWIBZ-BDAKNGLRSA-N	236.337	0.124	70	20	BCID	
Cc1ccn2nc(S(=O)(=O)Cl)nc2c1	100635038	PZUOJSXZBNPRDQ-UHFFFAOYSA-N	231.664	0.965	70	20	BCID	
CCOC(=O)[C@H](C)N1CC[C@H](NC(C)=O)C1	160290054	AMVBDNGUUAEDDI-WPRPVWTQSA-N	228.292	0.148	70	20	BCID	
CCNS(=O)(=O)N1CCCC[C@@H]1CCN	160874577	VIJBOWASCRKJOW-SECBINFHSA-N	235.353	0.044	70	20	BCID	
CO[C@@H](C)C(=O)N1CC[C@H](CCN)C1	159987736	GFZPJQAYVUMQRW-IUCAKERBSA-N	200.282	0.219	70	20	BCID	
O=[N+]([O-])c1cn(CCS(=O)(=O)F)cn1	883953988	URLIRRTYFUBFCY-UHFFFAOYSA-N	223.185	0.091	70	20	BCID	
CC[C@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1	160191359	HBHVDPXRYORNJT-VIFPVBQESA-N	239.319	0.836	70	20	BCID	
COCCC1(C(=O)NC[C@@H]2CCN(C)C2)CC1	159544321	WQYYFAZSVMFCBW-NSHDSACASA-N	240.347	0.871	70	20	BCID	
NC[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@H]3C2)O1	159818160	GIFYJRXLOFKXSW-YFKTTZPYSA-N	238.331	0.751	70	20	BCID	
CCN(CCCO)C(=O)c1ccnn1C	160323703	WHKLFBDOALHCBO-UHFFFAOYSA-N	211.265	0.265	70	20	BCID	
C[C@H]1CN(Cc2ccc(CO)o2)CCO1	161156310	GRFOOQRLNLQXMG-VIFPVBQESA-N	211.261	0.993	70	20	BCID	
CS[C@H](C)CNC(=O)NCCC(=O)N(C)C	159648430	IQTYGANMNZMRLO-MRVPVSSYSA-N	247.364	0.515	70	20	BCID	
COCCCCCN(C)CC(C)(CO)CO	159587986	QDMKEXPSBQOWRJ-UHFFFAOYSA-N	233.352	0.726	70	20	BCID	
Cc1cc(C(=O)N[C@@H]2CCC[C@H](N)C2)n(C)n1	161316498	RNKSNXDMTLXMGZ-VHSXEESVSA-N	236.319	0.728	70	20	BCID	
COC(=O)[C@H]1CCC[C@H](C(=O)NCCO)C1	159425654	LHFLQRYXFBLYSF-IUCAKERBSA-N	229.276	0.074	70	20	BCID	
COC1CCC(N(C)C(=O)[C@H](C)N)CC1	160056039	KVTUNHUKLWKGTB-IDKOKCKLSA-N	214.309	0.750	70	20	BCID	
COCCOCC(=O)Nc1cccc(F)n1	160532785	JDNKYARVIZQRAH-UHFFFAOYSA-N	228.223	0.822	70	20	BCID	
COCCCNC(=O)CS[C@H](C)CO	160756933	XTTWCYAJVDGPOV-MRVPVSSYSA-N	221.322	0.253	70	20	BCID	
CO[C@H](C)C(=O)N(C)CC[C@H](N)C(C)C	160944144	XIZDQYKMZMMYSW-ZJUUUORDSA-N	216.325	0.853	70	20	BCID	
CCc1nc(CN[C@@H](COC)C2CC2)n[nH]1	160625979	XEIWXIMFROVSBO-VIFPVBQESA-N	224.308	0.882	70	20	BCID	
COCCCC(=O)NC(C)(C)[C@H](C)O	161334870	AAJWOSSFZNDCDJ-QMMMGPOBSA-N	203.282	0.689	70	20	BCID	
CS(=O)(=O)NCCCNc1cccc(F)n1	218119806	SHEOMVDUDQRIIX-UHFFFAOYSA-N	247.295	0.572	70	20	BCID	
O=C(NC1[C@@H]2CNC[C@@H]12)[C@H]1CC=CCC1	217767730	DWXXHNXLLQCZLN-IVZWLZJFSA-N	206.289	0.677	70	20	BCID	
NS(=O)(=O)N1CCC[C@@H](N2CCCC2)CC1	160148320	YTJURVZSYBBISD-SNVBAGLBSA-N	247.364	0.140	70	20	BCID	
CCO[C@H](C)C(=O)N[C@H](CCO)C(C)C	160727069	MMYWOVJKAWQNSG-NXEZZACHSA-N	217.309	0.935	70	20	BCID	
CCCN(CCC)C(=O)CCC(=O)NCCO	159421713	NNXUFJJWAQVKHT-UHFFFAOYSA-N	244.335	0.524	70	20	BCID	
CC[C@@H](CCO)NC(=O)c1cnns1	159431937	SLODTKPAJZCZOV-LURJTMIESA-N	215.278	0.429	70	20	BCID	
Cc1cn2c(nc1=O)O[C@@H](CBr)C2	140380833	RUQBTXBBNDPPPR-LURJTMIESA-N	245.076	0.708	70	20	BCID	
CC[C@H](C)OCC(=O)NC[C@H]1CCOC1	161105817	PGUYEMBPHDQVOV-VHSXEESVSA-N	215.293	0.954	70	20	BCID	
CC[C@H](CCO)NC(=O)N[C@H]1CCOC1	159540656	PVOWEIANHVREOR-BDAKNGLRSA-N	216.281	0.236	70	20	BCID	
Cc1cc(C(=O)NCCCn2ccnc2)ncn1	161162110	IYHROIHSKKDOQT-UHFFFAOYSA-N	245.286	0.802	70	20	BCID	
C[C@H](N)C(=O)N(C1CCNCC1)C1CC1	218744664	QWRCMRKVGOUVKE-QMMMGPOBSA-N	211.309	0.077	70	20	BCID	
CCO[C@H](CC)C(=O)N1CCNCC1	159433914	FFDZYJVMIYRSCY-SECBINFHSA-N	200.282	0.233	70	20	BCID	
CCCCN(CCOC)C(=O)[C@H](C)N	159550905	PGQQARLMTMOVKW-VIFPVBQESA-N	202.298	0.609	70	20	BCID	
COCC(C)(C)C(=O)NCCCC(=O)OC	160355946	AMTZGAOGTRTERB-UHFFFAOYSA-N	231.292	0.728	70	20	BCID	
CC(C)NCCC(=O)NCC[C@H](O)C(C)C	160897573	KCKMNZVBPPJZSH-NSHDSACASA-N	230.352	0.898	70	20	BCID	
O=C(C[C@H]1OCCc2ccccc21)N1CC(O)C1	161498194	KTURFCXGGZIUBJ-CYBMUJFWSA-N	247.294	0.894	70	20	BCID	
CSC[C@H](C)NC(=O)N[C@@H](C)CCO	160424712	BXYMOTVNAVUZSU-YUMQZZPRSA-N	220.338	0.808	70	20	BCID	
CN(C)C(=O)NCCNc1ncc(F)cn1	159597769	HBMNGCULJHVIRE-UHFFFAOYSA-N	227.243	0.299	70	20	BCID	
CCN(CCCO)C(=O)[C@@H]1CCOC1	160323432	CPPYDXQVFFTVME-SECBINFHSA-N	201.266	0.254	70	20	BCID	
CCC[C@H](O)CNCc1cn(C)nc1C	160145568	JVQUJZHGQOYAIE-NSHDSACASA-N	211.309	0.979	70	20	BCID	
CC(C)OCC(=O)NC1(CO)CCC1	161098916	TVONCVJBSHNIKY-UHFFFAOYSA-N	201.266	0.443	70	20	BCID	
O=C(NCCCO)N[C@@H]1CCO[C@@H](C2CC2)C1	160397929	VUCFRCILCYODRF-GHMZBOCLSA-N	242.319	0.626	70	20	BCID	
C[C@@H]1C[C@@H]1C(=O)N1CCC(S(=O)(=O)F)CC1	1615002382	XOKQISZMWZRTDP-APPZFPTMSA-N	249.307	0.933	70	20	BCID	
COCCC1(C(=O)NCCO)CCC1	159488957	HZUDTYAQNAELPZ-UHFFFAOYSA-N	201.266	0.302	70	20	BCID	
CN(C)[C@H]1CCCN(S(=O)(=O)Cl)C1	167362529	LRJUTNMIQVSBJM-ZETCQYMHSA-N	226.729	0.496	70	20	BCID	
C[C@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2)CC1	216859763	OEFVLVNNXBRCEJ-HBNTYKKESA-N	226.320	0.358	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCCN2)C1	160963643	ODTYGLIAGVGRCG-GMTAPVOTSA-N	225.336	0.515	70	20	BCID	
N[C@@H]1CCC[C@@H]1C(=O)Nc1cccnn1	161076599	KVFUWUZFHGCDLE-JGVFFNPUSA-N	206.249	0.543	70	20	BCID	
CC[C@@H](N)CNC(=O)c1oc(C)nc1C	159567033	ZZGADFSRTILRIK-MRVPVSSYSA-N	211.265	0.759	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)[C@H]1CCCO1	159798185	KWTPUFCMHPEMCF-SECBINFHSA-N	228.292	0.135	70	20	BCID	
C[C@@H](N)C(=O)Nc1cnn(CC(F)F)c1	160989905	GYOBFDIMUDOSKQ-RXMQYKEDSA-N	218.207	0.434	70	20	BCID	
Cn1ccc(NC(=O)N[C@H]2CCOC2)n1	159431901	SPCSPGUCEMSIJO-ZETCQYMHSA-N	210.237	0.331	70	20	BCID	
CCC(CC)[C@@H](O)CNC(=O)[C@H](C)N	159758844	XXCMAIQIBKHFJW-CBAPKCEASA-N	202.298	0.247	70	20	BCID	
C[C@@H](NCCOCCO)c1cscn1	161143506	VQNXFGOCTDUIQJ-MRVPVSSYSA-N	216.306	0.803	70	20	BCID	
COc1cc(C)cc(C(=O)NCCO)c1O	159361883	GBOUWWVHWRMZEO-UHFFFAOYSA-N	225.244	0.431	70	20	BCID	
CC(=O)c1cc(C(=O)NCC(C)(C)N)n(C)c1	159984393	HCCDPCKHJQNCFD-UHFFFAOYSA-N	237.303	0.695	70	20	BCID	
Cn1cnnc1CN(C[C@H]1CCOC1)C1CC1	160788927	JFJLKPQFSUJYAZ-SNVBAGLBSA-N	236.319	0.816	70	20	BCID	
O=S(=O)(F)CCn1nnc(-c2ccco2)n1	883953396	UBRUUIANUMHGSI-UHFFFAOYSA-N	246.223	0.232	70	20	BCID	
CO[C@H](C)C(=O)N1CC[C@@H](CCN)C1	159988152	GFZPJQAYVUMQRW-RKDXNWHRSA-N	200.282	0.219	70	20	BCID	
Cc1cnc(NCCn2ccnn2)nc1	159625217	YIBACRXEXKIODP-UHFFFAOYSA-N	204.237	0.489	70	20	BCID	
C[C@@H](N)C(=O)NCC1(C(=O)N(C)C)CCCC1	160045525	JDDIDTVFXRZBGP-SECBINFHSA-N	241.335	0.098	70	20	BCID	
CCCC[C@H](COC)NC(=O)[C@@H]1CSCN1	161163665	RRYIJYRCYDPKFS-ZJUUUORDSA-N	246.376	0.970	70	20	BCID	
CCC(CC)[C@@H](CNC(=N)N)N1CCOCC1	161489121	YIDVHPWIVSHSBH-LLVKDONJSA-N	242.367	0.606	70	20	BCID	
COC(=O)N[C@@H](C(=O)OC)C1CCOCC1	218366566	WEBIDXSMXBWQKK-MRVPVSSYSA-N	231.248	0.311	70	20	BCID	
CCOC(=O)CCC(=O)N[C@@]1(C)CCOC1	160213298	URKLJMHMRIOCDN-NSHDSACASA-N	229.276	0.625	70	20	BCID	
CCNC(=O)CN(CC)Cc1nccn1CC	160750773	DLCZADWVKZVHMN-UHFFFAOYSA-N	238.335	0.861	70	20	BCID	
CO[C@H](C)C(=O)NC[C@H]1CCCCN1	160923387	SXRPJWZPZXILGD-RKDXNWHRSA-N	200.282	0.280	70	20	BCID	
CCCS(=O)(=O)CCS[C@H](C)CO	217975106	GQYDAYQYNDCKFB-MRVPVSSYSA-N	226.363	0.925	70	20	BCID	
CCC[C@H](N)C(=O)NCC[C@H](O)C(C)C	160897962	BKCZWLNGWILIAE-UWVGGRQHSA-N	216.325	0.637	70	20	BCID	
O=C(C1CC1)N1CCc2ncncc2C1	218049179	BSVHLNQHQYNMRW-UHFFFAOYSA-N	203.245	0.771	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)CC2CC2)C1	159711448	KRGXDBZQQPZUHJ-SNVBAGLBSA-N	210.277	0.524	70	20	BCID	
CCCCOCC(=O)NC[C@H](C)CCO	161028685	FNLMVVZOOTVUTD-SNVBAGLBSA-N	217.309	0.938	70	20	BCID	
CC[C@@H]1CO[C@H](C)CN1C(=O)COCCOC	218070637	OMKPGBLRWYTMKO-GHMZBOCLSA-N	245.319	0.675	70	20	BCID	
COC(=O)[C@@H](C(C)C)S(=O)(=O)Cl	59025732	ZCQYFEOQLGDHAL-RXMQYKEDSA-N	214.670	0.753	70	20	BCID	
CCCS(=O)(=O)NC[C@H](C)CNC	160141032	QNQFBAYFUXNQOY-MRVPVSSYSA-N	208.327	0.171	70	20	BCID	
CO[C@H](C)C(=O)N[C@H]1CCC[C@@H]1CN	160939378	RXUFVWDXDVSCTF-HLTSFMKQSA-N	200.282	0.265	70	20	BCID	
C[C@H]1OCC[C@@H]1NC(=O)NCCn1ccnc1	160616268	NSQDZUYQFYVOLN-ZJUUUORDSA-N	238.291	0.360	70	20	BCID	
O=C(NC[C@H]1CCCS1)N[C@H]1CCOC1	159427175	XCFWZMDMOKSTGK-DTWKUNHWSA-N	230.333	0.970	70	20	BCID	
CCOC(=O)[C@H](C)S(=O)(=O)Cl	106321531	CXGQQVHQRPNNIJ-BYPYZUCNSA-N	200.643	0.507	70	20	BCID	
CCC[C@H](O)CNC(=O)[C@H]1CC[C@@H](C)O1	218065102	FOCJRZTXFAOXKD-KXUCPTDWSA-N	215.293	0.831	70	20	BCID	
CC[C@@H](C)OCC(=O)NC[C@@H]1CCN(C)C1	160101750	YFYVFVGRAULNOQ-MNOVXSKESA-N	228.336	0.869	70	20	BCID	
CCO[C@H](C)C(=O)N(CC(N)=O)CC(C)C	159717269	LGHGUKGXIFUDBF-SECBINFHSA-N	230.308	0.381	70	20	BCID	
CCO[C@H](C)C(=O)N[C@@H]1CCC[C@H](N)C1	160875041	RYZIHQHUMPZJAA-KXUCPTDWSA-N	214.309	0.798	70	20	BCID	
CC(C)[C@@H](CCO)NC(=O)[C@H]1CSCN1	159598557	WFRYMAQKJPLDDV-RKDXNWHRSA-N	232.349	0.172	70	20	BCID	
C[C@H](CCCO)NC(=O)[C@@H]1CC[C@@H](C)O1	217866222	MWUKSMRUKQBOJK-BBBLOLIVSA-N	215.293	0.831	70	20	BCID	
CCS(=O)(=O)NCc1ccncc1C	160621551	JSMASCHCFMRBQP-UHFFFAOYSA-N	214.290	0.829	70	20	BCID	
Cc1onc(-c2ccncc2)c1C(=O)NCCO	159403493	ZISGYAYILPKFQV-UHFFFAOYSA-N	247.254	0.767	70	20	BCID	
CN(CC(F)F)C(=O)N[C@@H]1CCOC1	159456455	OWCOFPSLAXUVDA-ZCFIWIBFSA-N	208.208	0.682	70	20	BCID	
COC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)C[C@@H]1C	159693154	AQYOUOWKUWZQJK-OYNCUSHFSA-N	241.287	0.669	70	20	BCID	
C[C@H](CO)NC(=O)c1cnc2c(c1)ncn2C	160091453	NFTOSVFWJHYJSA-SSDOTTSWSA-N	234.259	0.079	70	20	BCID	
CCOC[C@H](O)CN1CCC[C@@](C)(O)C1	160990265	LDCHOWFXIYXCSL-GHMZBOCLSA-N	217.309	0.231	70	20	BCID	
CCNC(=O)C1CN(C(=O)[C@@H]2CC2(C)C)C1	161294337	ZMKNIVADGZYQJH-VIFPVBQESA-N	224.304	0.627	70	20	BCID	
Cc1nc(C)c(-c2nc(CCN)no2)o1	159664453	AERAUGYZLUCSGB-UHFFFAOYSA-N	208.221	0.843	70	20	BCID	
CC[C@H](CCO)NC(=O)c1cn[nH]c1C	160120292	QAHKECANYOFEJK-MRVPVSSYSA-N	211.265	0.609	70	20	BCID	
CC[C@@H](C)C(=O)N(CCO)CCOC	160344271	XLEIYZSSZSQOKJ-SECBINFHSA-N	203.282	0.500	70	20	BCID	
CN[C@H]1CCN(C(=O)[C@H](C)Oc2cccnc2)C1	160722939	NSCFIACDWXQCNL-QWRGUYRKSA-N	249.314	0.669	70	20	BCID	
CCc1cc(NC(=O)[C@@H](N)CC)n(C)n1	160825940	KSJDMGYFRWUDAS-QMMMGPOBSA-N	210.281	0.658	70	20	BCID	
NC1(C(=O)NCC[C@H](O)c2ccccc2)CC1	160847017	KGWNNYPJVMILEN-NSHDSACASA-N	234.299	0.718	70	20	BCID	
CC(C)CS(=O)(=O)N1CCC[C@@](C)(O)C1	160899448	IOGMFPXXWYOTPM-SNVBAGLBSA-N	235.349	0.819	70	20	BCID	
C[C@@H]1CC[C@@H](C(=O)NC[C@@H](O)C(F)F)O1	218062310	XVBAFHABGYLBNO-QYNIQEEDSA-N	223.219	0.296	70	20	BCID	
CCN(CCCO)C(=O)c1cnns1	160303315	WLBXHEXKXUUZPM-UHFFFAOYSA-N	215.278	0.383	70	20	BCID	
O=C(NCC1=CCNCC1)[C@H]1CCOC1	160512896	VNYYJRTVOXYDFI-JTQLQIEISA-N	210.277	0.059	70	20	BCID	
CC[C@@H](CSC)NC(=O)[C@H](N)CCOC	217332304	XGOMECNCGGZJSW-DTWKUNHWSA-N	234.365	0.608	70	20	BCID	
CN1CC[C@H](SCCN2CCOCC2)C1=O	159889863	UTFLPHIEKASHFW-JTQLQIEISA-N	244.360	0.283	70	20	BCID	
COCC(C)(C)C(=O)NCC(=O)NC(C)C	159768786	JWJPVSULRCEKJQ-UHFFFAOYSA-N	230.308	0.300	70	20	BCID	
COCCNC(=O)N1CCC[C@@H]([C@@H](C)O)C1	160897013	BFVREESVIFQILE-NXEZZACHSA-N	230.308	0.435	70	20	BCID	
Cn1c(SCc2nccs2)n[nH]c1=O	161252553	AKSOVSMIRUSFSI-UHFFFAOYSA-N	228.302	0.857	70	20	BCID	
CCS(=O)(=O)N1CCc2ncncc2C1	218070549	BZCNTSOSQSYMOO-UHFFFAOYSA-N	227.289	0.184	70	20	BCID	
C[C@H]1C[C@@H]1C(=O)N1CCC(S(=O)(=O)F)CC1	1615002383	XOKQISZMWZRTDP-CBAPKCEASA-N	249.307	0.933	70	20	BCID	
CCC(=O)N1CCS(=O)(=O)C(C)(C)C1	160168760	HSQSGBUCKNFIJU-UHFFFAOYSA-N	219.306	0.432	70	20	BCID	
CN(C)CC(=O)N[C@@H](CCO)c1ccccc1	159506516	XMXXVHLRNGUCNW-LBPRGKRZSA-N	236.315	0.788	70	20	BCID	
CC(=O)N[C@@H](C)C(=O)Nc1ncccc1O	159563237	LAURBZPDIIMCGY-LURJTMIESA-N	223.232	0.250	70	20	BCID	
CCC(CC)(CN)C(=O)NCCNC	161159767	TUZIZLYGGWCBFW-UHFFFAOYSA-N	201.314	0.087	70	20	BCID	
COCCC1(C(=O)NCC[C@@H](O)COC)CC1	161114261	SYWZZFVGTBMADH-SNVBAGLBSA-N	245.319	0.317	70	20	BCID	
Cn1nccc1C(=O)N[C@@H]1CCC[C@H](N)C1	161501383	QNANSLMYNOAMSL-DTWKUNHWSA-N	222.292	0.420	70	20	BCID	
C[C@@H]1COCCN1C(=O)N[C@H]1CCOC1	159451534	WPWVCEYOYVQWGZ-BDAKNGLRSA-N	214.265	0.206	70	20	BCID	
C[C@@H](CO)SCC(=O)NCC1CC1	160750887	ZJGLHSYPIVQUOH-ZETCQYMHSA-N	203.307	0.627	70	20	BCID	
CCO[C@H](C)c1nccn1CCOCCO	159464023	FPJKBSZIRCPSSS-SNVBAGLBSA-N	228.292	0.990	70	20	BCID	
CCN(C)CCNC(=O)N[C@@H]1CCOC1	159537393	NBCSLIWBWDAPAF-SECBINFHSA-N	215.297	0.026	70	20	BCID	
Cc1cccc(C(=O)N(CC(N)=O)CC(C)C)n1	159738762	PHQHACVSSQLDLS-UHFFFAOYSA-N	249.314	0.974	70	20	BCID	
CO[C@H](C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2	160922340	ZLUCFOIHVKXZED-HNJRMYHASA-N	212.293	0.421	70	20	BCID	
CC(C)N1CCN(C(=O)N[C@@H]2CCOC2)CC1	159460664	GZFWKTJPHPKYNS-LLVKDONJSA-N	241.335	0.511	70	20	BCID	
CS(=O)(=O)CCCCN1CCOCC1	161083576	DDRHYOLXCZFQDI-UHFFFAOYSA-N	221.322	0.143	70	20	BCID	
C[C@@H](CO)N(C)C(=O)CNC(=O)CC(C)(C)C	160536754	CTVSTKAHGIDJQV-VIFPVBQESA-N	244.335	0.378	70	20	BCID	
CCc1ncnc(N[C@@H](C)CC(N)=O)c1F	218037757	KJQOBUOLVDGNOQ-LURJTMIESA-N	226.255	0.854	70	20	BCID	
CN(C)C(=O)CCN1CCC[C@](C)(O)C1	160998715	LDOVEGGQYITQCR-NSHDSACASA-N	214.309	0.312	70	20	BCID	
CCCN(CC(=O)NC)C(=O)CO[C@H](C)CC	160295915	SHUNJJXFNHWPBG-SNVBAGLBSA-N	244.335	0.786	70	20	BCID	
C1CC(CN2CCC3(C2)OCCO3)CCO1	160670777	MDFMROOLBUFYHT-UHFFFAOYSA-N	227.304	0.862	70	20	BCID	
CCC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O	160716398	JUPDKULVXNKRCE-DTWKUNHWSA-N	248.348	0.231	70	20	BCID	
CCC1(CNC(=O)[C@H]2CSCN2)CC1	159631886	XKMNJXWTMIXVTI-MRVPVSSYSA-N	214.334	0.955	70	20	BCID	
Cn1cccc1C(=O)N[C@H]1CCC[C@@H]1O	161244646	OGWALRWMFPZDPH-WPRPVWTQSA-N	208.261	0.668	70	20	BCID	
C[C@@H](CO)SCc1nnnn1C1CC1	160738845	GIMDKNJIQOHTSB-LURJTMIESA-N	214.294	0.622	70	20	BCID	
O=C(NCC1=CCNCC1)c1ccc[nH]1	160513308	OZYWARHBWNFDPD-UHFFFAOYSA-N	205.261	0.664	70	20	BCID	
CCCNS(=O)(=O)NC[C@@H](CC)CCO	160721812	IVKPUWGSROHUQD-VIFPVBQESA-N	238.353	0.229	70	20	BCID	
CSC[C@@](C)(O)CNC(=O)c1cn[nH]c1	217671030	XAVZCEIPOJNRNT-VIFPVBQESA-N	229.305	0.254	70	20	BCID	
CSC[C@](C)(O)CNC(=O)c1ccc[nH]1	217636942	RRHDYCYXXNHRDT-SNVBAGLBSA-N	228.317	0.859	70	20	BCID	
CCOC(=O)c1coc(S(=O)(=O)N(C)C)c1	160252273	PKCNGHFTUXPJIS-UHFFFAOYSA-N	247.272	0.707	70	20	BCID	
CN(CCNC(=O)N[C@H]1CCOC1)C1CC1	159424092	KIMNDWJKZWKTKA-VIFPVBQESA-N	227.308	0.169	70	20	BCID	
CC(=O)N[C@H](C)C(=O)Nc1ncccc1O	159563378	LAURBZPDIIMCGY-ZCFIWIBFSA-N	223.232	0.250	70	20	BCID	
C[C@]1(O)CCCN(CC(=O)N2CCC2)C1	161002669	HKBKKKJMDJTDSZ-NSHDSACASA-N	212.293	0.066	70	20	BCID	
Cn1cc(CCNc2ccn(C)n2)cn1	218183405	ACHJODAGWIEEBS-UHFFFAOYSA-N	205.265	0.808	70	20	BCID	
COC[C@H](NC(=O)N[C@H]1CCOC1)C(C)C	159414592	NFMRDHAFMWLZKL-UWVGGRQHSA-N	230.308	0.746	70	20	BCID	
COCCNC(=S)NC[C@@H](C)SC	159574907	AXSMTBYKSYNRCG-SSDOTTSWSA-N	222.379	0.848	70	20	BCID	
COc1ccnc(NCCn2ccnn2)n1	159626872	IOHRMAGAWLHNIN-UHFFFAOYSA-N	220.236	0.189	70	20	BCID	
CSCCCC(=O)N[C@@H]1CCN(C(C)=O)C1	159843612	KKGVKWTZYUFVEL-SNVBAGLBSA-N	244.360	0.867	70	20	BCID	
N[C@H]1CCC[C@H](NC(=O)c2ccon2)C1	161163946	MJQPXDXWLCPSDX-YUMQZZPRSA-N	209.249	0.674	70	20	BCID	
O=[N+]([O-])c1cnn(CCS(=O)(=O)F)c1	883953918	QGNVWWVKUHLSKA-UHFFFAOYSA-N	223.185	0.091	70	20	BCID	
CCCS(=O)(=O)N(C)CCCC(=O)NC	159432478	DIQXTWSAMQZMGE-UHFFFAOYSA-N	236.337	0.184	70	20	BCID	
Cc1cc(C(=O)N[C@H]2CCC[C@H](N)C2)n(C)n1	161316622	RNKSNXDMTLXMGZ-UWVGGRQHSA-N	236.319	0.728	70	20	BCID	
Cc1ccc(CCNC(=O)NCCO)cc1	217307848	BOFOHJONXJBVHR-UHFFFAOYSA-N	222.288	0.829	70	20	BCID	
CCN(CCCO)[C@@H](C)C(=O)NC1CC1	160728295	IKPAPESGGWHRRI-VIFPVBQESA-N	214.309	0.358	70	20	BCID	
CC[C@H](CO)NC(=O)NCC1(CCOC)CC1	161010429	UAVKHXSOQCPZPB-SNVBAGLBSA-N	244.335	0.873	70	20	BCID	
COCCCC(=O)N(CC(N)=O)CC(C)C	159708531	RYYABGJQCSKDGX-UHFFFAOYSA-N	230.308	0.383	70	20	BCID	
CCN(CCCO)C(=O)c1ocnc1C	160304840	VLMYVLPAMCMYNE-UHFFFAOYSA-N	212.249	0.828	70	20	BCID	
COCCC(=O)N[C@@H](CCO)C(C)C	160492442	STFQTKKKRNLPIT-VIFPVBQESA-N	203.282	0.546	70	20	BCID	
CO[C@H](C)C(=O)N1CCC[C@H]([C@H](C)N)C1	160937187	FUJFKSSJJFZSAP-AEJSXWLSSA-N	214.309	0.607	70	20	BCID	
N[C@H]1CCC[C@H](NC(=O)c2cnns2)C1	161286182	ZSTXXYCRBPODDJ-BQBZGAKWSA-N	226.305	0.538	70	20	BCID	
C[C@@H](CC(N)=O)N[C@@H]1CCCOCC1	161472616	VNKSDAAGRLVPRO-DTWKUNHWSA-N	200.282	0.409	70	20	BCID	
COC[C@@H](O)CCNC(=O)CC1CC1	161453297	IPURSKYJQZPZID-VIFPVBQESA-N	201.266	0.300	70	20	BCID	
CN(CCCCCO)Cc1ncnn1C	218016679	WEWNIHJKWXXUKP-UHFFFAOYSA-N	212.297	0.410	70	20	BCID	
C[C@@]1(C(=O)N2CCC[C@H](N)C2)CCCNC1	161262660	UTDZLHVVMSUQDZ-CMPLNLGQSA-N	225.336	0.326	70	20	BCID	
NC(=O)Cn1nc(C2CC2)nc1C1CC1	161446046	ZHFZRJYFDZHQQZ-UHFFFAOYSA-N	206.249	0.518	70	20	BCID	
CC(C)C[C@H](CO)NC(=O)[C@]1(O)CCSC1	160629260	DNNBYZHEVXPMQT-KOLCDFICSA-N	247.360	0.378	70	20	BCID	
COC[C@@H](O)CCNC(=O)CCC(C)C	161215194	ZDUFKRIEMZQRDZ-JTQLQIEISA-N	217.309	0.936	70	20	BCID	
CC(=O)NC1CCN(CC[C@@H](C)O)CC1	160319413	YCWFFCWKINCHIJ-SECBINFHSA-N	214.309	0.358	70	20	BCID	
CSCCCNC(=O)N[C@@H]1CCOC1	159410194	IWDAJSPEAZELIB-MRVPVSSYSA-N	218.322	0.828	70	20	BCID	
CC(C)NC(=O)NCCN1C(=O)CSC1=O	217312826	ZMLXZOFDCLYMCY-UHFFFAOYSA-N	245.304	0.389	70	20	BCID	
CCN(CCCO)C(=O)c1csnn1	160303173	PCFKXPGHGRDORO-UHFFFAOYSA-N	215.278	0.383	70	20	BCID	
COCCNC(=S)N(C)CC1CCOCC1	161123281	VLBLNZKFRIOZST-UHFFFAOYSA-N	246.376	0.866	70	20	BCID	
CCOCCNC(=O)[C@@]1(C)CCCCN1	159562481	NTFYUPACLWLXJI-LLVKDONJSA-N	214.309	0.671	70	20	BCID	
O=C(Cc1cccc(O)c1)N1CC[C@@H]2CNC[C@@H]21	216844151	ABWAQQWUJNNZCD-YPMHNXCESA-N	246.310	0.755	70	20	BCID	
CCOC(C)(C)CNC(=O)c1ccc(=O)[nH]c1	159487316	VVSZNIZCICZDMB-UHFFFAOYSA-N	238.287	0.920	70	20	BCID	
CC1(CCS(=O)(=O)F)C(=O)CCC1=O	883954368	KOQVJEJLRDWYCT-UHFFFAOYSA-N	222.237	0.614	70	20	BCID	
CC[C@@H](C)N1CCN(S(=O)(=O)Cl)CC1	167338974	QLPAVGYNCKOGOE-MRVPVSSYSA-N	240.756	0.886	70	20	BCID	
CCCNC(=O)CCNC(=O)CO[C@@H](C)CC	160244504	XLDSVWHGYDLHPB-JTQLQIEISA-N	244.335	0.834	70	20	BCID	
N#C[C@@]1(CS(=O)(=O)F)CCCNC1	1887448352	VEAWWBALHHJXCQ-ZETCQYMHSA-N	206.242	0.179	70	20	BCID	
COc1cccnc1N(C)S(C)(=O)=O	159560759	SWAIOHUWNZYISA-UHFFFAOYSA-N	216.262	0.486	70	20	BCID	
NCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F	161019492	HEXIETGMHLLYPG-HZGVNTEJSA-N	226.226	0.896	70	20	BCID	
CN(Cc1cccn1C)C(=O)Cn1cccn1	160525259	WALRTADBHSFTJU-UHFFFAOYSA-N	232.287	0.880	70	20	BCID	
CCN1C[C@@H](C(=O)NC2CC=CC2)CC1=O	160864681	XNZKIQLIJMSZKQ-VIFPVBQESA-N	222.288	0.690	70	20	BCID	
CCC(CC)[C@H](O)CNC(=O)CCCN	159762285	YNGLNEVDSIPGGF-SNVBAGLBSA-N	216.325	0.639	70	20	BCID	
CC(C)[C@H](O)CCNC(=O)[C@H]1CSCN1	160896451	UNEVYBZBLUOXHS-RKDXNWHRSA-N	232.349	0.172	70	20	BCID	
CSCC[C@@H](N)C(=O)NCC[C@@H](O)C(C)C	160899212	IAGQKMSOXULHGX-NXEZZACHSA-N	248.392	0.590	70	20	BCID	
CCO[C@H](C)C(=O)N1CCC[C@H]1CNC	161343376	NHSGDOOBGKWKLF-ZJUUUORDSA-N	214.309	0.622	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@H]1CC1(C)C	161423327	WDSSMZADDHKCEX-DTWKUNHWSA-N	215.293	0.546	70	20	BCID	
O=C(NCCN1CCNCC1)Nc1cccnc1	217264697	NBOLICOCOPKXEQ-UHFFFAOYSA-N	249.318	0.108	70	20	BCID	
CC(=O)CCC(=O)NC[C@@H](C)N(C)C1CC1	217916598	PYDVCKOMCUNACY-SECBINFHSA-N	226.320	0.955	70	20	BCID	
CSC[C@](C)(O)CNC(=O)NC1CCC1	217940829	JNEHZFULBCBHOX-SNVBAGLBSA-N	232.349	0.952	70	20	BCID	
Cn1cnc(C(=O)NC2(CO)CCC2)c1	218177577	KNGFWRLSGOCFHB-UHFFFAOYSA-N	209.249	0.065	70	20	BCID	
COC[C@@H](C)NC(=S)N[C@@H]1CCOC1	159581020	NMDFISVJIUTXGJ-HTQZYQBOSA-N	218.322	0.274	70	20	BCID	
O=C(NCCCO)N[C@H]1CCO[C@H](C2CC2)C1	160398066	VUCFRCILCYODRF-QWRGUYRKSA-N	242.319	0.626	70	20	BCID	
CCS(=O)(=O)CCS[C@@H](C)CO	160715604	FMYNQFBKGXEMIT-ZETCQYMHSA-N	212.336	0.535	70	20	BCID	
C[C@@H](CC(N)=O)NCc1ccc(CO)o1	160799986	RUROXUKLWLMXJH-ZETCQYMHSA-N	212.249	0.125	70	20	BCID	
CNC(=O)c1ccc(CS(=O)(=O)F)cc1	238854277	NHKGDNSACRABBE-UHFFFAOYSA-N	231.248	0.846	70	20	BCID	
CCCCN(CCO)C(=O)[C@H](C)OC	160527056	HZPYJECGNLPAPA-VIFPVBQESA-N	203.282	0.642	70	20	BCID	
CO[C@H](C)C(=O)N[C@@H](C)[C@H]1CCCNC1	160924956	CKSQEQLYYHSDHX-AEJSXWLSSA-N	214.309	0.526	70	20	BCID	
CC[C@@H](C)OCC(=O)N(C)C[C@@H](C)O	160091235	ZTGRSZHRSXDKSY-RKDXNWHRSA-N	203.282	0.641	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCOC1	160468587	NADMMENXLVZICX-BDAKNGLRSA-N	229.276	0.481	70	20	BCID	
Cc1ccccc1[C@@H](O)CNC(=O)CCCN	159845094	FSGZVNPLJQVDQM-LBPRGKRZSA-N	236.315	0.884	70	20	BCID	
C[C@H](CO)SCCN1C(=O)CCC1=O	160713304	MKSOZSZIPMNJJZ-SSDOTTSWSA-N	217.290	0.249	70	20	BCID	
NCCCNC(=O)CSCc1cccnc1	160052919	UFAFSGCODZPCAK-UHFFFAOYSA-N	239.344	0.780	70	20	BCID	
CC[C@@H]1CN(C(=O)N[C@H]2CCOC2)CCO1	159447859	YGOXDZJRXLLDNG-VHSXEESVSA-N	228.292	0.596	70	20	BCID	
O=C(CSC[C@H]1CCCCO1)NCCO	159407476	RSKVZQOIHUPNMP-SECBINFHSA-N	233.333	0.397	70	20	BCID	
CC[C@H](C(=O)N[C@@H]1CCN(C(C)=O)C1)N(C)C	159492043	KTGIFPRLOKKALK-GHMZBOCLSA-N	241.335	0.064	70	20	BCID	
CCCNS(=O)(=O)N[C@@H]1CCCC[C@H]1N	160829372	GQUYVRIBVKVFDJ-RKDXNWHRSA-N	235.353	0.090	70	20	BCID	
Cc1ncsc1CN1CCO[C@@H](CN)C1	159519682	WRRXBHUTFWXKNT-VIFPVBQESA-N	227.333	0.611	70	20	BCID	
Cc1cc(C(=O)N(CC(N)=O)CC(C)C)[nH]n1	159696425	CPAZKARSYDSQNW-UHFFFAOYSA-N	238.291	0.302	70	20	BCID	
CCOCCO[C@H](C)C(=O)NC[C@H](O)C(C)C	159762959	FRQCHHIXGLDHNW-MNOVXSKESA-N	247.335	0.561	70	20	BCID	
Cn1cc(CSCCN2CCOCC2)cn1	159855908	LRLBBZNMQRCFGU-UHFFFAOYSA-N	241.360	0.986	70	20	BCID	
Cc1ccc(CC(=O)N(C)[C@@H](C)CO)cn1	160365218	YLOQVYYPDKWEDT-JTQLQIEISA-N	222.288	0.772	70	20	BCID	
CCC[C@@H](N)C(=O)NCC[C@H](O)C(C)C	160898097	BKCZWLNGWILIAE-ZJUUUORDSA-N	216.325	0.637	70	20	BCID	
CCOCCCC(=O)NC1(CO)CCC1	161122062	YYIZHVPOVQTQCB-UHFFFAOYSA-N	215.293	0.834	70	20	BCID	
CC(C)N1C[C@H](NC(=O)NC2CC2)CC1=O	217288914	JWMKEOFTVACKCW-SECBINFHSA-N	225.292	0.457	70	20	BCID	
CC[C@H](NC(=O)CN(C)C)c1ncc[nH]1	218083590	HJDUXOULKNAYPW-QMMMGPOBSA-N	210.281	0.539	70	20	BCID	
CCN(CCCO)C(=O)[C@H]1CCCCO1	160311367	MURIOFKIUZYRRH-SNVBAGLBSA-N	215.293	0.786	70	20	BCID	
COCCn1c(-c2cccnc2)noc1=O	161281455	BIMNIHUZDWRNQE-UHFFFAOYSA-N	221.216	0.545	70	20	BCID	
CC[C@@H](CO)NC(=O)c1cnc2c(c1)ncn2C	160090236	BIGJJBHQNJJJKD-VIFPVBQESA-N	248.286	0.469	70	20	BCID	
C[C@@H]1CCC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1	159455340	RPVMTAQPOIFYOV-RKDXNWHRSA-N	239.319	0.882	70	20	BCID	
COCCC1(C(=O)NCC[C@H](O)COC)CC1	161114136	SYWZZFVGTBMADH-JTQLQIEISA-N	245.319	0.317	70	20	BCID	
CC[C@@]1(C)C[C@H]1C(=O)NCC(=O)NC1CC1	160160836	JPXUZGMBFDMBLB-CABZTGNLSA-N	224.304	0.817	70	20	BCID	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CN	161175926	SAPJRVIHBFCREX-MWLCHTKSSA-N	228.336	0.903	70	20	BCID	
CC1=C(C(=O)NCC(=O)NC(C)C)CCCO1	159767101	JPPNNLXFNDQRRZ-UHFFFAOYSA-N	240.303	0.712	70	20	BCID	
CCCN(C)C(=O)NC[C@@H]1CCCS1(=O)=O	159923672	JZSRLXUILHBLOF-VIFPVBQESA-N	248.348	0.615	70	20	BCID	
CN(C[C@H]1CCCN1C)C(=O)N1CCOCC1	160667396	WPHZAYHXNWOQTF-LLVKDONJSA-N	241.335	0.465	70	20	BCID	
O=C(CCCCO)NCC1(O)CCC1	161478704	GIXPZDVDJYORSH-UHFFFAOYSA-N	201.266	0.180	70	20	BCID	
CC[C@H](O)CCNC1CCS(=O)(=O)CC1	218757846	LIJLWIZZQOUWRW-JTQLQIEISA-N	235.349	0.314	70	20	BCID	
Cc1nnc(Cn2nnnc2C(C)(C)C)n1C	161033955	ZFQJFKFUYQEBCN-UHFFFAOYSA-N	235.295	0.456	70	20	BCID	
O=C(C(=O)N1CC[C@@H](O)C1)c1ccc(O)cc1	217345272	UFDGTCYEXONXCZ-SNVBAGLBSA-N	235.239	0.168	70	20	BCID	
C[C@@H](CO)N(C)Cc1ccc(CO)cc1	159458356	WUTPBJVUHIQHGT-JTQLQIEISA-N	209.289	0.992	70	20	BCID	
CCC[C@@H](O)CNC(=O)[C@H](N)CCSC	159763209	PYXGSBODHYEKGM-RKDXNWHRSA-N	234.365	0.344	70	20	BCID	
CCN(CCCO)C(=O)c1cn[nH]c1C	160303025	SSJLKIJEZALJCB-UHFFFAOYSA-N	211.265	0.563	70	20	BCID	
CCOCC(=O)N[C@H](C)CC(=O)OCC	160061930	DSDHGQDFEGIPRW-MRVPVSSYSA-N	217.265	0.481	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnccn1	160453747	RYEDPNMEVGJHEA-MRVPVSSYSA-N	237.259	0.548	70	20	BCID	
CC[C@H](C(=O)N[C@H](CO)CC(C)C)N(C)C	160886843	IPFNOAPAWPXEJJ-WDEREUQCSA-N	230.352	0.850	70	20	BCID	
O=C1C[C@H](C(=O)Nc2ccncc2)CCN1	159606183	TYPUZHILNQODPI-MRVPVSSYSA-N	219.244	0.546	70	20	BCID	
CCCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O	159811679	BEKRWLIHASMVCN-SRVKXCTJSA-N	242.363	0.994	70	20	BCID	
CCNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217288425	OPDRKDQEPZPKCD-MRVPVSSYSA-N	213.281	0.315	70	20	BCID	
C[C@@H]1CCN(CCCS(N)(=O)=O)C[C@@H]1C	160981185	CBZWMVOSLVJBHM-ZJUUUORDSA-N	234.365	0.643	70	20	BCID	
OCCOc1cccc(-n2cncn2)c1	160004587	ZRLYXPNLCOEJNH-UHFFFAOYSA-N	205.217	0.638	70	20	BCID	
Cc1[nH]ncc1S(=O)(=O)NC1(C)CCC1	159989796	ITHBLRCJUOJRRJ-UHFFFAOYSA-N	229.305	0.939	70	20	BCID	
COC[C@H](O)CCNC(=O)c1ccco1	161025359	YQMYHYASEFRZKP-MRVPVSSYSA-N	213.233	0.407	70	20	BCID	
CNCCCC(=O)N[C@@H]1CCC[C@@H](N)C1	160962722	LLPTXVZTFBDBLZ-NXEZZACHSA-N	213.325	0.372	70	20	BCID	
COCC[C@@H](C)NC(=O)N1CCC[C@@](C)(O)C1	161465387	KASUUEPUTUYUEM-ZYHUDNBSSA-N	244.335	0.968	70	20	BCID	
CNC(=O)C(C)(C)CNC(=O)C(C)(C)COC	160827534	LQGACOBAICYUIX-UHFFFAOYSA-N	244.335	0.547	70	20	BCID	
COCCC1(C(=O)NCc2cnn(C)c2)CC1	159708409	RYJYGODDUGZLBO-UHFFFAOYSA-N	237.303	0.853	70	20	BCID	
CN(C)CC(=O)NCC1(C)CCNCC1	159977615	ADIGZAPBAINCIH-UHFFFAOYSA-N	213.325	0.054	70	20	BCID	
COCCNC(=O)N[C@H](C)[C@@H](CO)SC	160775990	DPQBJSDDWNFSDJ-HTQZYQBOSA-N	236.337	0.044	70	20	BCID	
C[C@H](O)C[C@H](C)CNC(=O)C[C@@H]1CCCN1	160572654	WMNLDIPDOWPBTL-DCAQKATOSA-N	228.336	0.652	70	20	BCID	
CSCCN(C)C(=O)[C@H]1CCN[C@H]1C	160010300	FHATUBGYWJAANV-IUCAKERBSA-N	216.350	0.806	70	20	BCID	
CC[C@H](O)CCNC(=O)CNC1CC1	159619081	QCIPDHRLNUIMAN-VIFPVBQESA-N	200.282	0.016	70	20	BCID	
CCOCC(=O)NCC1(C)CCNCC1	159979787	RJXSAKOCBLNYPU-UHFFFAOYSA-N	214.309	0.529	70	20	BCID	
CCC[C@H](C)C(=O)N(CCO)CCOC	160338711	XSIWIFACHYAYJX-JTQLQIEISA-N	217.309	0.890	70	20	BCID	
CCCOCC(=O)N[C@@H](CO)CC(C)C	160908495	JEYRAULJGNXSAF-SNVBAGLBSA-N	217.309	0.936	70	20	BCID	
CNC(=O)[C@H](C)NC(=O)c1ccncc1F	161394969	QCEWVJYEBZCBEO-LURJTMIESA-N	225.223	0.085	70	20	BCID	
CSC[C@@](C)(O)CNC(=O)COC(C)C	217632248	CXNMUOGWSZEGEA-JTQLQIEISA-N	235.349	0.642	70	20	BCID	
CCCN(CC(=O)NC)C(=O)CO[C@@H](C)CC	160295752	SHUNJJXFNHWPBG-JTQLQIEISA-N	244.335	0.786	70	20	BCID	
CCOC(=O)[C@@H]1CC[C@H](NC(=O)CN(C)C)C1	160584933	DHAJQLKFDQXYMJ-ZJUUUORDSA-N	242.319	0.396	70	20	BCID	
CCOCCO[C@@H](C)C(=O)NC[C@H](O)C(C)C	159762806	FRQCHHIXGLDHNW-QWRGUYRKSA-N	247.335	0.561	70	20	BCID	
COCC[C@H](C)NC(=O)N[C@H]1CCOC1	159398693	CTJADEKMMMVYPB-IUCAKERBSA-N	216.281	0.500	70	20	BCID	
CC[C@@H](O)CNC(=O)c1ccccc1O	159717573	RPRCKTCPJSUKOX-MRVPVSSYSA-N	209.245	0.893	70	20	BCID	
Cn1cc(C(=O)NC(C)(C)CCO)cn1	160781873	JZOGZWVTJDDTMK-UHFFFAOYSA-N	211.265	0.311	70	20	BCID	
COC(=O)[C@H](CC(C)C)NC(=O)C(F)F	217609434	YWIOGRPYHFGULO-LURJTMIESA-N	223.219	0.955	70	20	BCID	
Cc1cc(C(=O)NC2CCN(C)CC2)ncn1	161290623	FNOBCCUJMIXDHL-UHFFFAOYSA-N	234.303	0.609	70	20	BCID	
C[C@@H](O)CN(C)[C@H](C(N)=O)c1ccc(F)cc1	159521015	XJIXPZJOSIHWOA-KCJUWKMLSA-N	240.278	0.665	70	20	BCID	
CC(C)N1C[C@@H](NC(=O)NC2CC2)CC1=O	217288916	JWMKEOFTVACKCW-VIFPVBQESA-N	225.292	0.457	70	20	BCID	
CCc1cc(O)nc(Cn2ccnc2)n1	160612953	DINOUQWWHBALON-UHFFFAOYSA-N	204.233	0.989	70	20	BCID	
COC[C@@H](C)NC(=O)[C@@H]1CCCCO1	159613313	GVDPSGIVOUJNDG-BDAKNGLRSA-N	201.266	0.707	70	20	BCID	
CC[C@H](CCO)NC(=O)c1cc(OC)no1	159464725	YLQYVVINUMHWFA-SSDOTTSWSA-N	228.248	0.574	70	20	BCID	
C[C@@H]1CC[C@H](C(N)=O)CN1CCOCC1CC1	160526450	KSOJZCNKFMUPQD-PWSUYJOCSA-N	240.347	0.999	70	20	BCID	
O=C(NC[C@H](O)C1CC1)C1[C@H]2CCC[C@H]12	161058693	ICYSWJYWDAVEFI-GUBZILKMSA-N	209.289	0.920	70	20	BCID	
CNC(=O)c1cccc(CCNC(=O)[C@@H](C)N)c1	161417536	IXDJWSIPTBSROW-SECBINFHSA-N	249.314	0.052	70	20	BCID	
N[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2N)C1	160260061	HPAFEEHIFRMURI-GRYCIOLGSA-N	239.363	0.844	70	20	BCID	
CC(=O)N(C)CC(C)(C)CN1CCOCC1	160316015	VYAUAYHGZIMFAL-UHFFFAOYSA-N	228.336	0.823	70	20	BCID	
Cc1ccc(NC(=O)C(=O)N2CCCC2)cn1	160446833	LDBAWSYWANJRQU-UHFFFAOYSA-N	233.271	0.951	70	20	BCID	
CCC[C@@H](O)CNC(=O)CNC(C)C	217964264	BGQSACKGXFXYMU-SECBINFHSA-N	202.298	0.262	70	20	BCID	
CC(C)(C)OC(=O)CCN1CC[C@@H](O)C1	159613827	GQWMSZZWGQBQES-SECBINFHSA-N	215.293	0.785	70	20	BCID	
CC1(O)CN(C(=O)c2cncc(F)c2)C1	160141618	WWADBZWPHDUOKZ-UHFFFAOYSA-N	210.208	0.428	70	20	BCID	
CS[C@@H](C)CC(=O)NCCC(=O)N(C)C	159973299	QFONJJPYSUOYJZ-QMMMGPOBSA-N	232.349	0.723	70	20	BCID	
CC(C)N1CC[C@H](S(=O)(=O)Cl)C1=O	306559815	LQHMJESFIWQBNN-LURJTMIESA-N	225.697	0.564	70	20	BCID	
CCCCN(CC(N)=O)c1ccnc(C)n1	161248298	GOSXKNQCXUAYIC-UHFFFAOYSA-N	222.292	0.877	70	20	BCID	
CC[C@H]1C(=O)NCCN1c1ccnc(C)n1	160413858	NDTGFQWQOAKJSF-VIFPVBQESA-N	220.276	0.500	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)c1cnccn1	160453881	RYEDPNMEVGJHEA-QMMMGPOBSA-N	237.259	0.548	70	20	BCID	
COC(=O)C1(N(C)CC(=O)N(C)C)CCCC1	159373335	HLLAUKATMOCDQO-UHFFFAOYSA-N	242.319	0.492	70	20	BCID	
CC[C@@H](C(=O)N[C@H](C)C(=O)OC)N(C)C	159630577	SIGDRTKNLMWYBC-SFYZADRCSA-N	216.281	0.004	70	20	BCID	
CCOC(=O)CCNC(=O)c1ccn(C)n1	218033356	FCEYCOOKIOYQKU-UHFFFAOYSA-N	225.248	0.103	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@@H](C)OCC1CC1	161287864	COQGBPZGWLCIAT-KOLCDFICSA-N	245.319	0.315	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)[C@H](C)C2CC2)C1	159561481	QNFNKIWPXILIMN-KCJUWKMLSA-N	224.304	0.770	70	20	BCID	
N[C@H]1CCC[C@@H](NC(=O)CNC2CC2)C1	160756996	CAYCJPYMDYMWNE-WCBMZHEXSA-N	211.309	0.125	70	20	BCID	
CO[C@H]1CCCN(S(=O)(=O)Cl)C1	230306114	RADKOVLTRDYUGV-LURJTMIESA-N	213.686	0.581	70	20	BCID	
COCC(C)(C)C(=O)NC1CCN(C)CC1	160246606	SXZHMPWDOCQITI-UHFFFAOYSA-N	228.336	0.869	70	20	BCID	
NC(=O)[C@@H]1CCCN1C(=O)CCCn1cccc1	159390875	JZMZOAZNXPYPIR-NSHDSACASA-N	249.314	0.745	70	20	BCID	
C[C@@H](CO)SCC(=O)N(C)C1CC1	160754682	LAUVWGCDKRZVMX-ZETCQYMHSA-N	203.307	0.721	70	20	BCID	
Cc1nnc(C(=O)N[C@@H](C(N)=O)C(C)C)s1	161128791	PBHIQANMCLFTOI-ZCFIWIBFSA-N	242.304	0.086	70	20	BCID	
CC(=O)N[C@H]1CCN(C(=O)NC2CCCC2)C1	160800266	KREUCCZRXLAQJC-NSHDSACASA-N	239.319	0.849	70	20	BCID	
CC(=O)N[C@@H](C)C(=O)N(C)Cc1cccn1C	160841328	SHVCZOBLJQFWML-VIFPVBQESA-N	237.303	0.508	70	20	BCID	
CC[C@@H](CCO)NC(=O)c1cc(OC)no1	159464585	YLQYVVINUMHWFA-ZETCQYMHSA-N	228.248	0.574	70	20	BCID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC(N)=O	160742927	OUFVUBOGAPMGJG-JGVFFNPUSA-N	238.312	0.762	70	20	BCID	
CC(C)S(=O)(=O)CCCN1CCOC[C@@H]1C	160793713	XFVCXYAEOJWIGS-NSHDSACASA-N	249.376	0.920	70	20	BCID	
CC[C@H](N)C(=O)N[C@@H](C)c1cnn(C)c1	159583025	MIZPEEGQGPUMSR-CBAPKCEASA-N	210.281	0.335	70	20	BCID	
CCCCOCC(=O)N1CCC[C@H]1CN	160196591	BMZHVLYDSPYVDI-JTQLQIEISA-N	214.309	0.753	70	20	BCID	
C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1	218086447	VPSRNIPVBIDSKF-VGMNWLOBSA-N	210.277	0.570	70	20	BCID	
O=C(NC[C@@H]1CCCCO1)N[C@@H]1CCOC1	159422560	PALPEYQABFXNCE-ZJUUUORDSA-N	228.292	0.644	70	20	BCID	
CC(C)COCCC(=O)NCCCN	160032653	NRHWSXHNICAXMG-UHFFFAOYSA-N	202.298	0.514	70	20	BCID	
Cc1ncncc1C(=O)N[C@H](CO)CC(C)C	160870144	KCZUBUHNMUFBKX-JTQLQIEISA-N	237.303	0.922	70	20	BCID	
C[C@@H](CCO)CNC(=O)COC[C@@H]1CCCO1	160941613	CAIVZUFNWSCLDA-QWRGUYRKSA-N	245.319	0.317	70	20	BCID	
COC[C@@H](O)CCNC(=O)c1ccsc1	161125658	ZXKBGHXBFOFVCO-VIFPVBQESA-N	229.301	0.875	70	20	BCID	
CCN(C)S(=O)(=O)N(C)[C@@H]1CCSC1	159454103	GTQKIRAMKBVTFA-MRVPVSSYSA-N	238.378	0.620	70	20	BCID	
CCO[C@H](C)C(=O)N[C@H]1CCN(C(C)=O)C1	159715813	LLMBVYCOHMWNCF-SCZZXKLOSA-N	228.292	0.148	70	20	BCID	
COc1c(CNC(=O)N(C)C)c(C)nn1C	160350757	IFBDPROFXGDUJV-UHFFFAOYSA-N	226.280	0.508	70	20	BCID	
CC(C)(CCO)NC(=O)C1CCOCC1	160777292	WAHULCHNLSVOTK-UHFFFAOYSA-N	215.293	0.690	70	20	BCID	
O=C([C@@H]1C[C@H]1c1cccnc1)N1CCNCC1	159402595	RHTDLDYWDFNFNE-NWDGAFQWSA-N	231.299	0.617	70	20	BCID	
CO[C@H](C)C(=O)NC[C@@]1(C)CCCNC1	159973074	VTGBIAZSLQPOMX-KOLCDFICSA-N	214.309	0.527	70	20	BCID	
O=C(NCc1ccc(O)cc1)N[C@@H]1CCOC1	159363611	YMNZVQBGNHNNGF-SNVBAGLBSA-N	236.271	0.980	70	20	BCID	
COc1ccccc1Cn1ncn(C)c1=O	160781408	ATYKUJQUOBGFKN-UHFFFAOYSA-N	219.244	0.639	70	20	BCID	
Cc1ccccc1Cn1ncn(C)c1=O	160784267	RTLCCWPWKZFGJK-UHFFFAOYSA-N	203.245	0.939	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@H](C(C)C)N(C)C	161204675	CPNDXVZDRWBPEW-MNOVXSKESA-N	246.351	0.086	70	20	BCID	
CC(C)S(=O)(=O)CCCN1CC[C@H](N)C1	216879550	POQAHFHSZASNKT-JTQLQIEISA-N	234.365	0.233	70	20	BCID	
CC1(NC(=O)c2nnc[nH]2)CCOCC1	159472715	SFKCQWTXCHOGMW-UHFFFAOYSA-N	210.237	0.104	70	20	BCID	
CC(C)C[C@H](CN)NS(=O)(=O)NC(C)C	160866911	YPQLPVMDGNECGZ-SECBINFHSA-N	237.369	0.192	70	20	BCID	
O=C([C@H]1CCNC1)N1CCO[C@H]2CCCC[C@@H]21	218260611	ULVQDINRUDQATK-SRVKXCTJSA-N	238.331	0.766	70	20	BCID	
CN(C[C@@H]1CCCCO1)C(=O)N[C@H]1CCOC1	159375615	DENKTWQLHZYAMF-QWRGUYRKSA-N	242.319	0.986	70	20	BCID	
CC[C@H](N)C(=O)Nc1ccn(CCCOC)n1	160947482	CECRBUPUOIVGQR-VIFPVBQESA-N	240.307	0.595	70	20	BCID	
CC(C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C	159658683	IDRKHYUJOBQLDG-NSHDSACASA-N	243.351	0.213	70	20	BCID	
CCN1CCC[C@H]1CNC(=O)c1cc[nH]c(=O)c1	159569537	MNLAUBFUDAQMHO-NSHDSACASA-N	249.314	0.589	70	20	BCID	
Cc1nc(Cn2ncn(C)c2=O)oc1C	160744230	DYQIOLPNEDOPGK-UHFFFAOYSA-N	208.221	0.235	70	20	BCID	
COCC[C@H](C)NC(=O)N1CCC[C@](C)(O)C1	161465523	KASUUEPUTUYUEM-JQWIXIFHSA-N	244.335	0.968	70	20	BCID	
C[C@@]1(CNC(=O)N[C@H]2CCOC2)CCCO1	159426515	DOUJFNQZJFRKNS-ONGXEEELSA-N	228.292	0.644	70	20	BCID	
COC[C@@H](O)CNc1ncccc1OC	160239070	DWUUGLJTNIPRCX-QMMMGPOBSA-N	212.249	0.509	70	20	BCID	
COC(=O)[C@@H](C)NC(=O)c1ccnn1C(C)C	159631265	LVSUKYQDRIKCGK-MRVPVSSYSA-N	239.275	0.755	70	20	BCID	
Cc1ccccc1[C@@H](O)CNC(=O)[C@H](C)N	159842029	JXBQNQCUJZZWQH-ONGXEEELSA-N	222.288	0.492	70	20	BCID	
Cc1cccc(Cn2ncn(C)c2=O)c1	160785570	NKFAFIBWBFRKQH-UHFFFAOYSA-N	203.245	0.939	70	20	BCID	
CCOCCCN1CC[C@H](NCCO)[C@H](C)C1	159689491	RMLLKKOUADGKON-OLZOCXBDSA-N	244.379	0.705	70	20	BCID	
CCOC(=O)[C@@H](C)N1CCN[C@@H](C)C1	159582800	VUKXCRFVTCRFJE-DTWKUNHWSA-N	200.282	0.232	70	20	BCID	
N#Cc1ccc(S(=O)(=O)Cl)nc1	101778820	XUXSGYYVYLYBFR-UHFFFAOYSA-N	202.622	0.881	70	20	BCID	
COCCC(=O)N1CC[C@H]([C@H](C)O)C1	159419423	IHZUKAAARMCEFG-IUCAKERBSA-N	201.266	0.252	70	20	BCID	
CC[C@H](C)OCC(=O)N(C)C[C@H](C)O	160091638	ZTGRSZHRSXDKSY-IUCAKERBSA-N	203.282	0.641	70	20	BCID	
CN1C[C@H](C(=O)NC2CC=CC2)CC1=O	160794341	JINKPXZOIGJKFR-MRVPVSSYSA-N	208.261	0.300	70	20	BCID	
COC(=O)[C@H]1C[C@H](O)CN1CC(C)C	159481912	KDSGQLOAZRIMSA-DTWKUNHWSA-N	201.266	0.251	70	20	BCID	
CCNS(=O)(=O)N[C@@H]1CC[C@@H](C)C1	160463876	ZRELBRHFRCOXEO-HTQZYQBOSA-N	206.311	0.619	70	20	BCID	
C[C@@H]1NCCC[C@@H]1NC(=O)c1ccc[nH]1	160536457	XQGJNTAUWVMURG-IUCAKERBSA-N	207.277	0.885	70	20	BCID	
COC(C)(C)CNC(=O)[C@H](N)CCSC	160895482	AKTNYXXDRAUVQS-MRVPVSSYSA-N	234.365	0.608	70	20	BCID	
CCCOCC(=O)NCC[C@@H](O)CC	218095502	JFIPXYQISVRCME-VIFPVBQESA-N	203.282	0.690	70	20	BCID	
CN[C@H]1CCN(C(=O)[C@@H](C)OCC2CC2)C1	160619340	WTIZQIUUINTSER-KOLCDFICSA-N	226.320	0.622	70	20	BCID	
O=C(N[C@@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1O2	159448245	BFDPKULQMHWHKF-KYXWUPHJSA-N	226.276	0.394	70	20	BCID	
C[C@H](O)CN(C)[C@H](C(N)=O)c1ccccc1	159405791	FOJYGVZTHLTANY-ONGXEEELSA-N	222.288	0.526	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCOC1	160468711	NADMMENXLVZICX-IUCAKERBSA-N	229.276	0.481	70	20	BCID	
C[C@]1(C(=O)N2CCC[C@@H](N)C2)CCCNC1	161262771	UTDZLHVVMSUQDZ-PWSUYJOCSA-N	225.336	0.326	70	20	BCID	
CN1CCN(C(=O)c2cnc(N)s2)CC1	217662413	FHLUKKTUESEMGP-UHFFFAOYSA-N	226.305	0.113	70	20	BCID	
CCOCCO[C@@H](C)C(=O)NC[C@H](C)CO	160516101	SPFQCXAXJBPOOY-UWVGGRQHSA-N	233.308	0.173	70	20	BCID	
CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C(C)(C)C	159633139	GUPKKCHJRBEPHU-CBAPKCEASA-N	230.308	0.034	70	20	BCID	
CCn1nc(C(=O)NC2CC=CC2)ccc1=O	161013171	IJHJOJMWFQDPGY-UHFFFAOYSA-N	233.271	0.712	70	20	BCID	
Cc1nc(CC(=O)NCCO)c(C)s1	159365181	KDQWILAQUNREBU-UHFFFAOYSA-N	214.290	0.411	70	20	BCID	
CS(=O)(=O)CCCN1CC[C@@H](CCN)C1	160053750	KJDCUQANPQZJMR-SNVBAGLBSA-N	234.365	0.092	70	20	BCID	
CO[C@H](C)C(=O)NCC1(O)CCCC1	160626884	AEFRJMFNVPZDRK-MRVPVSSYSA-N	201.266	0.443	70	20	BCID	
CN(C)CC(=O)N1CCc2ccc(O)cc2C1	218194646	REONILPBIKNLTC-UHFFFAOYSA-N	234.299	0.839	70	20	BCID	
CC[C@H](C(N)=O)N1CCC[C@@H](C(=O)OC)C1	218044595	AVJMRQDTPWUKKH-RKDXNWHRSA-N	228.292	0.135	70	20	BCID	
CO[C@@H](C)C(=O)N[C@](C)(CN)CC(C)C	160938750	AIECMXJHUUTJHD-ONGXEEELSA-N	216.325	0.901	70	20	BCID	
Cn1ccnc1CN1CCN(CC2CC2)CC1	160815442	FUETZSQAJGKSTB-UHFFFAOYSA-N	234.347	0.948	70	20	BCID	
CCCNC(=O)[C@H](C)N1CCN[C@@H](C)C1	159580060	NYXSAYZLDKLWTR-UWVGGRQHSA-N	213.325	0.195	70	20	BCID	
CCOC(=O)[C@H](C)CNC(=O)C(C)(C)N	160800055	YVNVVHPXJZUEFV-SSDOTTSWSA-N	216.281	0.039	70	20	BCID	
C[C@@H]1CCC[C@@H](OCC(=O)N2CC(O)C2)C1	161483917	WVQATBYKJHFYPS-MWLCHTKSSA-N	227.304	0.785	70	20	BCID	
C[C@@]1(CNC(=O)N[C@@H]2CCOC2)CCCO1	159426229	DOUJFNQZJFRKNS-KOLCDFICSA-N	228.292	0.644	70	20	BCID	
CN(CCN1CCCC1)C(=O)N[C@@H]1CCOC1	159456436	AGUOBALFNBVMDU-LLVKDONJSA-N	241.335	0.513	70	20	BCID	
CCCS(=O)(=O)NCC1(C)CCNCC1	159997911	APICIEBMROWJJJ-UHFFFAOYSA-N	234.365	0.706	70	20	BCID	
O=S(=O)(F)Oc1ccc2c(c1)C[C@@H](O)C2	1887503556	WKVDRAJCPXJMBA-QMMMGPOBSA-N	232.232	0.739	70	20	BCID	
CN[C@H]1CCCN(C(=O)[C@]2(C)CCCNC2)C1	161274076	ULTGIACXHYDPEP-WCQYABFASA-N	239.363	0.587	70	20	BCID	
CNC[C@H](C)C(=O)NC[C@@]1(C)CCCC[C@@H]1O	160843150	KYRTZSYFXDSVQA-GMXVVIOVSA-N	242.363	0.899	70	20	BCID	
NC(=O)[C@@H]1CCCN1Cc1cnc2ccccn12	159845725	JUMRIQBFLQBERP-NSHDSACASA-N	244.298	0.784	70	20	BCID	
Cc1cccc(C(=O)N[C@@H](C)C(N)=O)c1F	160179652	PUYJNFHYTLCCMG-ZETCQYMHSA-N	224.235	0.738	70	20	BCID	
O=c1ccn(CCS(=O)(=O)F)c(Cl)c1	883954876	LMIWAHGLUPWLNV-UHFFFAOYSA-N	239.655	0.801	70	20	BCID	
Cc1nn(CCS(=O)(=O)Cl)c(=O)s1	536960384	PSLKFDFLLIESTE-UHFFFAOYSA-N	242.709	0.182	70	20	BCID	
COC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)C[C@H]1C	159693026	AQYOUOWKUWZQJK-KHQFGBGNSA-N	241.287	0.669	70	20	BCID	
CO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1CN	160939113	RXUFVWDXDVSCTF-IWSPIJDZSA-N	200.282	0.265	70	20	BCID	
CS(=O)(=O)[C@@H]1CCC[C@H]1S(=O)(=O)Cl	114437586	BLDBZFIZRZJKLL-PHDIDXHHSA-N	246.737	0.521	70	20	BCID	
CC[C@H](COC)N[C@H]1CCc2nc(C)nn2C1	160542492	ABFBLLHIHDPSAC-MNOVXSKESA-N	238.335	0.916	70	20	BCID	
CCCCSCCC(=O)NCC(N)=O	159419248	FWHQAQYXJQBAAO-UHFFFAOYSA-N	218.322	0.511	70	20	BCID	
CCN(CCN[C@@H](C)[C@@H](C)O)C1CC1	218329495	LVFMEGDWZMWUJQ-VHSXEESVSA-N	200.326	0.830	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)c1cncnc1C	161263711	IFOACKNWTGYMQH-JTQLQIEISA-N	234.303	0.609	70	20	BCID	
COCCCC(=O)N[C@H]1CCC[C@H](N)C1	161499164	XKPSVUATJPUFGX-UWVGGRQHSA-N	214.309	0.799	70	20	BCID	
COC(=O)C1CCN(C(=O)C(F)F)CC1	217657630	OABJHWAPIUAALQ-UHFFFAOYSA-N	221.203	0.663	70	20	BCID	
CC[C@@H](CO)NC(=O)COCC(F)(F)F	217849168	ALLATVVLDWOTOY-LURJTMIESA-N	229.198	0.452	70	20	BCID	
O=C(CCl)NC[C@@H](O)COc1ccccc1	165652884	KKGHDUNOKNZOOV-SECBINFHSA-N	243.690	0.781	70	20	BCID	
COC[C@H](NC(=O)NC[C@H](C)CO)C1CC1	159505986	NPJDBKZSTPOOFL-WPRPVWTQSA-N	230.308	0.339	70	20	BCID	
Cc1cc(NC(=O)N[C@@H]2CCOC2)no1	159392219	CVMDHFXSGMOZMR-SSDOTTSWSA-N	211.221	0.893	70	20	BCID	
CS[C@H](C)CC(=O)Nc1nnc[nH]1	160241270	KUSBZBALIZUJPO-RXMQYKEDSA-N	200.267	0.885	70	20	BCID	
CC(C)OC(=O)CN1CCC[C@](C)(O)C1	160996576	DJCRWPPNUMGZEO-NSHDSACASA-N	215.293	0.785	70	20	BCID	
Cc1ocnc1C(=O)N[C@@H]1CCC[C@@H](N)C1	161067549	XVQLCQQGKNOHBG-RKDXNWHRSA-N	223.276	0.983	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)[C@@H](C)COC	161233982	HXWVFLSFYDNXIY-UWVGGRQHSA-N	214.309	0.479	70	20	BCID	
CC[C@@H](C)OCC(=O)NC[C@H]1CCOC1	161105689	PGUYEMBPHDQVOV-NXEZZACHSA-N	215.293	0.954	70	20	BCID	
Cc1cc(C(=O)NCCCn2cccn2)ncn1	161497412	BQMGNIRLMIGDBS-UHFFFAOYSA-N	245.286	0.802	70	20	BCID	
O=C(NCCCO)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	160282817	PIQGPOUUFKLLTE-AXTSPUMRSA-N	224.304	0.713	70	20	BCID	
CCO[C@@H](C)C(=O)N[C@H](CCO)C(C)C	160726926	MMYWOVJKAWQNSG-VHSXEESVSA-N	217.309	0.935	70	20	BCID	
CC(C)[C@@H](O)CCNC(=O)[C@@H]1CSCN1	160896317	UNEVYBZBLUOXHS-IUCAKERBSA-N	232.349	0.172	70	20	BCID	
Cn1nncc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	159593243	NHFSYUXDJFWDRB-TUAOUCFPSA-N	248.330	0.862	70	20	BCID	
CC(C)OCCNC(=O)[C@@H]1CCCN1C	159777047	PLFNKTYXCVAIDB-JTQLQIEISA-N	214.309	0.622	70	20	BCID	
C[C@H]1COC[C@@H](C)N1C(=O)C[C@@H]1CCCN1	160521206	FXEGBVUFNDBGBV-AXFHLTTASA-N	226.320	0.764	70	20	BCID	
CC(C)NS(=O)(=O)N1CC[C@@H](N)C[C@@H]1C	160948515	UAZPDBPLLUPWMU-DTWKUNHWSA-N	235.353	0.041	70	20	BCID	
CCCC[C@@H](COC)NC(=O)[C@H]1CSCN1	161163796	RRYIJYRCYDPKFS-VHSXEESVSA-N	246.376	0.970	70	20	BCID	
C[C@H](N)C(=O)NCc1ccccc1OCCO	161249044	FQEDIHCPYSBOHJ-VIFPVBQESA-N	238.287	0.021	70	20	BCID	
O=C([C@@H]1C[C@H]1c1cccnc1)N1CC(O)C1	161474643	TVUACUQMIIGXKR-WDEREUQCSA-N	218.256	0.388	70	20	BCID	
CC(C)OCC(=O)NC1(C)CCNCC1	160575807	IANWLWZEIFDZLE-UHFFFAOYSA-N	214.309	0.670	70	20	BCID	
O=S(=O)(NCC(F)(F)F)N1CCCC1	160833956	PDHFZRNEMHPPLG-UHFFFAOYSA-N	232.227	0.479	70	20	BCID	
CCN(C)C(=O)CN[C@@H]1CS[C@@H](C)C1	217354015	PZBQAJHJCVEGAG-IUCAKERBSA-N	216.350	0.948	70	20	BCID	
CCS(=O)(=O)C[C@@H](C)N[C@H](C)CN(C)C	217327604	YVYMVLGAQFTXNE-NXEZZACHSA-N	236.381	0.349	70	20	BCID	
C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ncccn1	159405096	ORXPJGRJGYIWJW-IUCAKERBSA-N	238.291	0.116	70	20	BCID	
CC[C@H](CCO)NC(=O)c1cnns1	159432036	SLODTKPAJZCZOV-ZCFIWIBFSA-N	215.278	0.429	70	20	BCID	
CC(=O)NCCNC(=O)N1CC[C@H](C)[C@@H](C)C1	159793311	XEOIKVAYOGRIRM-UWVGGRQHSA-N	241.335	0.810	70	20	BCID	
COC(=O)CNC(=O)c1cccc2nccn12	218185860	TUBPQPMDOMKCOJ-UHFFFAOYSA-N	233.227	0.237	70	20	BCID	
CC(C)OCC(=O)N1CCC[C@](C)(O)C1	161028214	VBWZWEJAXSEONI-NSHDSACASA-N	215.293	0.785	70	20	BCID	
CSCCNC(=O)[C@@H]1CCn2ccnc2C1	161137407	ASMVREMUKFMPGQ-SECBINFHSA-N	239.344	0.925	70	20	BCID	
COC(CN(C)[C@H]1CCCCNC1=O)OC	160906817	PIQLJYJKNUEUBM-VIFPVBQESA-N	230.308	0.206	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](CC)N(C)C	159557904	LZMVSKCDAUWJJH-ZJUUUORDSA-N	244.335	0.785	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)[C@@H]1C[C@H]1C	159819548	RXIIDAVUYLCQSB-RKDXNWHRSA-N	212.293	0.612	70	20	BCID	
CCOC(=O)N1CC[C@@H](NC(C)=O)C1	160359136	TUBXFTRQFGSMKK-MRVPVSSYSA-N	200.238	0.353	70	20	BCID	
CS(=O)(=O)CCn1cnc2c1CCCC2	160739595	NKXXPLCVDOBBNG-UHFFFAOYSA-N	228.317	0.807	70	20	BCID	
CN(C)S(=O)(=O)N1[C@H]2C=CC[C@H]1CC2	218761338	GYMGGJLWSSUANF-IUCAKERBSA-N	216.306	0.586	70	20	BCID	
O=C(c1cccs1)N1CC(S(=O)(=O)F)C1	1615057369	SKIPYBSATYJXBL-UHFFFAOYSA-N	249.288	0.872	70	20	BCID	
Cc1cc(C)nc(NCCn2ccnn2)n1	159621034	PWGHAYNOKFJQGG-UHFFFAOYSA-N	218.264	0.797	70	20	BCID	
Cn1c(C(=O)NCCn2cccn2)cccc1=O	161040181	CEXLKOXBVJFDLS-UHFFFAOYSA-N	246.270	0.012	70	20	BCID	
COCCCNC(=O)CS[C@@H](C)CO	160756831	XTTWCYAJVDGPOV-QMMMGPOBSA-N	221.322	0.253	70	20	BCID	
C[C@@H]1CN(C(=O)N[C@H]2CCOC2)CCS1	159456969	LAYNYGQUYIIKMI-BDAKNGLRSA-N	230.333	0.922	70	20	BCID	
N[C@H]1CCC[C@H](NC(=O)CNC2CC2)C1	160757270	CAYCJPYMDYMWNE-WPRPVWTQSA-N	211.309	0.125	70	20	BCID	
CCOCCCNC(C)(C)C(=O)OC	159530751	JZGMOXJRGHPHFO-UHFFFAOYSA-N	203.282	0.954	70	20	BCID	
C[C@H](O)C[C@@H](C)CNC(=O)C[C@@H]1CCCN1	160572793	WMNLDIPDOWPBTL-VWYCJHECSA-N	228.336	0.652	70	20	BCID	
C[C@H](CO)CNC(=O)CCOC[C@@H]1CCCO1	160404295	FRWXHKAFOGNUSW-QWRGUYRKSA-N	245.319	0.317	70	20	BCID	
CCNS(=O)(=O)N[C@H]1CC[C@@H](C)C1	160464007	ZRELBRHFRCOXEO-SFYZADRCSA-N	206.311	0.619	70	20	BCID	
COC(=O)CN(C)C1(C(=O)OC)CCCC1	159493572	PTYSPBOHVYQWLE-UHFFFAOYSA-N	229.276	0.577	70	20	BCID	
CCC(CC)(CN)C(=O)N1CCN[C@@H](C)C1	161160752	NMQPNIIHYQFBHG-JTQLQIEISA-N	227.352	0.572	70	20	BCID	
COC[C@H](C)NC(=S)N[C@@]1(C)CCOC1	160043498	QVBPSSRZYORAHJ-WPRPVWTQSA-N	232.349	0.664	70	20	BCID	
C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)c2N)C1	160179739	IEOGSXQFYBDRLW-HTQZYQBOSA-N	222.292	0.921	70	20	BCID	
CC[C@@](C)(O)CN(C)CC(=O)NC(C)(C)C	160487261	QHCSFKOZILRHFG-GFCCVEGCSA-N	230.352	0.994	70	20	BCID	
CC[C@@H](CSC)NC(=O)Cn1cnc(N)n1	217326002	VLUVLQXNRIVYHT-ZETCQYMHSA-N	243.336	0.118	70	20	BCID	
COCCNC(=O)[C@@]1(C)CCCCN1	159545520	AHFLWIBBKJEKFJ-SNVBAGLBSA-N	200.282	0.281	70	20	BCID	
CN1CCN(C(=O)NCC2CCOCC2)CC1	218707374	MWCLAPDFQMKXOH-UHFFFAOYSA-N	241.335	0.370	70	20	BCID	
CC(C)(C)NCC(=O)N[C@]1(C)CCOC1	160214125	QYHHKCASLRBEFI-LLVKDONJSA-N	214.309	0.670	70	20	BCID	
O=C(NC[C@@H]1CCCO1)N1CC[C@@H](CO)C1	160822883	DUVZRXITTWLXAD-ZJUUUORDSA-N	228.292	0.189	70	20	BCID	
CCNC(=O)N[C@H]1CC(=O)N(C(C)C)C1	217288424	OPDRKDQEPZPKCD-QMMMGPOBSA-N	213.281	0.315	70	20	BCID	
OC[C@@H](O)CNC/C=C\c1ccccc1	218152855	MTPZYZIVHNJRDE-KMSCOEIWSA-N	207.273	0.643	70	20	BCID	
Cc1ncoc1C(=O)N[C@H](CO)C(C)C	159530493	NJYVJVUABMMTEB-MRVPVSSYSA-N	212.249	0.730	70	20	BCID	
Cc1nnc(S(=O)(=O)Cl)n1C1CC1	158111646	ATMTUKZHEPKQTG-UHFFFAOYSA-N	221.669	0.849	70	20	BCID	
CCC[C@H](C)CC(=O)NC[C@@H](O)COC	159440987	QDNXEQDLKNJCSG-VHSXEESVSA-N	217.309	0.936	70	20	BCID	
CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCOC1	159448642	VNPOMKDWAOLHDQ-WDEREUQCSA-N	242.319	0.986	70	20	BCID	
CN(C)c1ncccc1C(=O)NCC(C)(C)N	159993194	BFSBTLGPPIUXFE-UHFFFAOYSA-N	236.319	0.615	70	20	BCID	
Cc1nn(C)cc1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160638637	UIOSBXMTMWLNOF-PHIMTYICSA-N	248.330	0.695	70	20	BCID	
COCc1ccc(C(=O)NCCCN)cc1	160134129	CGCKQFYXSNUSNO-UHFFFAOYSA-N	222.288	0.912	70	20	BCID	
CC[C@@H](NCC(=O)NC(C)C)c1cnn(C)c1	160910712	BVUWVCLZDWFJII-LLVKDONJSA-N	238.335	0.985	70	20	BCID	
N[C@H]1CCC[C@@H](NC(=O)CNCC2CC2)C1	160962977	RWLDOJFYRDZNCF-WDEREUQCSA-N	225.336	0.372	70	20	BCID	
NC(=O)[C@@H]1CCN(Cc2cnc3ccccn23)C1	159842288	NDWBLLUHIIBCFK-SNVBAGLBSA-N	244.298	0.642	70	20	BCID	
CCCCO[C@H](C)C(=O)NCC[C@@H](O)COC	161094638	FRHVGTITRAHCEU-GHMZBOCLSA-N	247.335	0.705	70	20	BCID	
C/C=C\C(=O)N1CCN(CC(C)(C)O)CC1	217210645	XCZPKEMPYDTTNV-PLNGDYQASA-N	226.320	0.478	70	20	BCID	
CN(C)C(=O)c1cccnc1S(=O)(=O)F	1887503980	MCDCMSUMVVPXGU-UHFFFAOYSA-N	232.236	0.442	70	20	BCID	
CC(C)C[C@@](C)(CN)NS(=O)(=O)C1CC1	160166326	CYLWOJOPQYCAAK-JTQLQIEISA-N	234.365	0.832	70	20	BCID	
C[C@@H](CO)SCCN1C(=O)CCC1=O	160713186	MKSOZSZIPMNJJZ-ZETCQYMHSA-N	217.290	0.249	70	20	BCID	
CNCCN(C)C(=O)[C@@]1(C)CCCCN1	159591899	JZJRTHVMJJQUJO-LLVKDONJSA-N	213.325	0.196	70	20	BCID	
O=S(=O)(Cl)[C@H]1CCO[C@]2(CCOC2)C1	125803001	KHULDIMOWUWRKY-JGVFFNPUSA-N	240.708	0.893	70	20	BCID	
CN(C)c1ccc(CN2CCC[C@H]2C(N)=O)cn1	160367174	RHBYARTUUCEODM-NSHDSACASA-N	248.330	0.597	70	20	BCID	
CC[C@@H](CO)NC(=O)NCC1(CCOC)CC1	161010293	UAVKHXSOQCPZPB-JTQLQIEISA-N	244.335	0.873	70	20	BCID	
CCCC[C@H](C(=O)OC)N(C)CC(=O)NC	161011983	BUMCEJIOBUGPDX-SECBINFHSA-N	230.308	0.396	70	20	BCID	
C[C@@]1(O)CCCN(S(=O)(=O)CC2CC2)C1	160904084	MHXLCZMWQDWDOC-SNVBAGLBSA-N	233.333	0.573	70	20	BCID	
CC(C)c1ccc(C(=O)N2CCNC(=O)C2)cn1	160987936	LZFOUDHEGRDRBP-UHFFFAOYSA-N	247.298	0.777	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)C1CCC1	159821711	BZWRHCYDGXZEHB-UHFFFAOYSA-N	212.293	0.756	70	20	BCID	
CC[C@H](CCO)NC(=O)[C@@H](N)C(C)(C)C	217923920	PQSVOSJKKJAZDE-RKDXNWHRSA-N	216.325	0.637	70	20	BCID	
COc1c(CS(=O)(=O)Cl)c(C)nn1C	135253698	VUPQVYWNKMTAMX-UHFFFAOYSA-N	238.696	0.806	70	20	BCID	
O=C(N[C@H]1CCOC1)N1CCCOCC1	159549458	PDLQESQKYZWFPR-VIFPVBQESA-N	214.265	0.207	70	20	BCID	
NC[C@H]1CN(C(=O)c2ccsc2)CCO1	159511158	ZSRDJXPVGJBZDL-VIFPVBQESA-N	226.301	0.548	70	20	BCID	
Cn1cnc(CNC(=N)Nc2ccccc2)n1	218721703	KKPMCRBCBIUNIY-UHFFFAOYSA-N	230.275	0.952	70	20	BCID	
CO[C@@H](C)C(=O)NC[C@@H]1CCCCN1	160923020	SXRPJWZPZXILGD-IUCAKERBSA-N	200.282	0.280	70	20	BCID	
C#CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348707246	JDOKPJGQEKGBRJ-UHFFFAOYSA-N	244.247	0.426	70	20	BCID	
C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1	218086528	VPSRNIPVBIDSKF-CIUDSAMLSA-N	210.277	0.570	70	20	BCID	
CN[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1	160543582	ZIVSPINIJFUOTN-WDEREUQCSA-N	227.352	0.393	70	20	BCID	
CNCCN(C)C(=O)c1oc(C)nc1C	159402876	KIFYEYXAVCLSAB-UHFFFAOYSA-N	211.265	0.583	70	20	BCID	
O=C(NC[C@H]1CCCOC1)N[C@H]1CCOC1	159389594	NPTBFMIKCLASTE-ZJUUUORDSA-N	228.292	0.501	70	20	BCID	
CCC[C@@H](O)CNCc1ncnn1CC	217860660	RNEBAYVWGOHJJR-SECBINFHSA-N	212.297	0.549	70	20	BCID	
CN(Cc1nncn1C)C[C@@H]1CCC[C@@H]1O	159603147	KJOUEPPRFKMOSR-UWVGGRQHSA-N	224.308	0.408	70	20	BCID	
COc1cc(N2C(=O)CNC2=O)ccc1F	218417485	QCNOKRVNXBKFRE-UHFFFAOYSA-N	224.191	0.891	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)[C@H](C)C2CC2)C1	159561221	QNFNKIWPXILIMN-LDYMZIIASA-N	224.304	0.770	70	20	BCID	
COCCN(C)CCNC(=O)C1CCOCC1	161063905	XQWHTILHEZVVAH-UHFFFAOYSA-N	244.335	0.107	70	20	BCID	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)CN	161175561	SAPJRVIHBFCREX-ONGXEEELSA-N	228.336	0.903	70	20	BCID	
CCCCNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1	160198567	QTWZGTZDQATEJV-RKDXNWHRSA-N	243.307	0.071	70	20	BCID	
CN(CC(=O)Nc1cn[nH]c1)[C@@H]1CCSC1	159827532	KIWWIZWJRIVXKC-SECBINFHSA-N	240.332	0.786	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)c1cn[nH]c1	160044898	KOUJXQBMEAJSLT-SSDOTTSWSA-N	225.248	0.481	70	20	BCID	
CCOCCC1(C(=O)N[C@H](C)C(N)=O)CCC1	160864599	ZVQHCUMKEBAQRD-SECBINFHSA-N	242.319	0.573	70	20	BCID	
COCCOCCC(=O)N[C@@H](CO)CC(C)C	161134149	DFQFZZHBJKHLCZ-LLVKDONJSA-N	247.335	0.563	70	20	BCID	
CNC(=O)c1cccc(CCNC(=O)[C@H](C)N)c1	161417286	IXDJWSIPTBSROW-VIFPVBQESA-N	249.314	0.052	70	20	BCID	
CC(C)(CNC(=O)C(F)F)N1CCOCC1	217620901	ZOVURQCILMXCSP-UHFFFAOYSA-N	236.262	0.479	70	20	BCID	
CCS(=O)(=O)CCNCc1nccs1	217470431	WNGSPKWOEXHBFD-UHFFFAOYSA-N	234.346	0.667	70	20	BCID	
CCOC(=O)c1cc(S(=O)(=O)F)cn1C	238850848	CZDPONPBBXTNHW-UHFFFAOYSA-N	235.236	0.860	70	20	BCID	
COC[C@H](O)CCNC(=O)C[C@H](C)SC	161309025	GRVGLMYTVJTCMA-DTWKUNHWSA-N	235.349	0.642	70	20	BCID	
C[C@@H](CO)SCC(=O)NCC(F)(F)F	160772795	ZUQQCIZONIDDJA-YFKPBYRVSA-N	231.239	0.779	70	20	BCID	
CCC[C@@H](CCO)CNC(=O)COCC	161169430	HVMSIYAKGZXXFV-JTQLQIEISA-N	217.309	0.938	70	20	BCID	
CCOC(=O)CN(C(=O)CN(C)C)C1CC1	218013451	XINVXKNRTJERND-UHFFFAOYSA-N	228.292	0.102	70	20	BCID	
CN(CCC1CCOCC1)C(=O)C1(N)CC1	160351367	JSJVSYSYNQXPFP-UHFFFAOYSA-N	226.320	0.753	70	20	BCID	
CC(C)[C@@H](C(=O)N1CC[C@@H](O)C1)N(C)C	160678987	YNSREKLLJTWZBZ-ZJUUUORDSA-N	214.309	0.166	70	20	BCID	
CCOC(=O)CSCc1nnc(C)n1C	160950026	GFGCCZGSUOSIOR-UHFFFAOYSA-N	229.305	0.920	70	20	BCID	
O=C(NS(=O)(=O)c1ccsc1)C1CC1	159612395	QGNRQOFVPZEEHW-UHFFFAOYSA-N	231.298	0.963	70	20	BCID	
COC(=O)[C@H](c1cccnc1)N1CC[C@@H](O)C1	159850204	KRJQSLITUKPVSC-MNOVXSKESA-N	236.271	0.362	70	20	BCID	
CCN(CCCO)C(=O)[C@@H]1CCCCO1	160311231	MURIOFKIUZYRRH-JTQLQIEISA-N	215.293	0.786	70	20	BCID	
CCOC(=O)[C@@H](C)CNC(=O)[C@H]1CCCNC1	160802262	IXJQXHAPGLXDCV-UWVGGRQHSA-N	242.319	0.301	70	20	BCID	
CSCCN(C)C(=O)CC[C@H](C)N	160001777	VAAJFIXPXQAVMF-QMMMGPOBSA-N	204.339	0.935	70	20	BCID	
CCCN(CC(=O)OCC)C(=O)NC	160335979	DQLRITDMDMERQN-UHFFFAOYSA-N	202.254	0.601	70	20	BCID	
O=C1C[C@@H](C(=O)N2CC(O)C2)c2ccccc2N1	161424323	VYGGXDSBEKUJLQ-SNVBAGLBSA-N	246.266	0.316	70	20	BCID	
C[C@@H](OC[C@H]1CCCO1)C(=O)N1CC[C@@H](N)C1	160271341	IVQLYNAGERYPCL-GMTAPVOTSA-N	242.319	0.130	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)COC	160423298	YEJOOKAAMJYLQI-SSDOTTSWSA-N	203.238	0.091	70	20	BCID	
O=C(NC[C@H]1CCCO1)N1CC[C@H](CO)C1	160822512	DUVZRXITTWLXAD-VHSXEESVSA-N	228.292	0.189	70	20	BCID	
CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]1CCCNC1	159819021	VGPSCSOKZGSSEQ-AXFHLTTASA-N	228.336	0.509	70	20	BCID	
Cn1cc(CC(=O)N[C@H]2CCC[C@@H](N)C2)cn1	161204865	ZIPMSAMDZDHMIO-MNOVXSKESA-N	236.319	0.349	70	20	BCID	
CC(C)NC(=S)NCc1ncn(C)n1	218738069	RIXXJZHJCWVKOH-UHFFFAOYSA-N	213.310	0.188	70	20	BCID	
COC(=O)C[C@@H](C)C(=O)Nc1cc(C)n[nH]1	160863328	QIMOENOJGUTAED-ZCFIWIBFSA-N	225.248	0.856	70	20	BCID	
CCCC(=O)N1CC[C@@H](OC)C[C@@H]1CN	161044862	GIWYQHYNXJYMKF-NXEZZACHSA-N	214.309	0.751	70	20	BCID	
O=C(CC1CCCC1)N1C[C@@H](O)C[C@H]1CO	218409772	KRGWMPALVPVKGT-QWRGUYRKSA-N	227.304	0.521	70	20	BCID	
CN(C(=O)CS(=O)(=O)C(C)(C)C)C1CC1	160064162	QDRUGHNYKMWMPK-UHFFFAOYSA-N	233.333	0.821	70	20	BCID	
CC(C)(C)CCCNC(=O)[C@H]1C[C@H](O)CN1	160537670	RGXWCWKINJPHNI-VHSXEESVSA-N	228.336	0.652	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](CC)N(C)C	159558032	LZMVSKCDAUWJJH-NXEZZACHSA-N	244.335	0.785	70	20	BCID	
Cc1csc(CNCc2nnc[nH]2)n1	159543488	GOICGUUDNYGIAG-UHFFFAOYSA-N	209.278	0.859	70	20	BCID	
CC[C@H](C(=O)NCC1CCN(C)CC1)N(C)C	159908469	QAOQGFUCFQBXCR-GFCCVEGCSA-N	241.379	0.785	70	20	BCID	
CC(C)[C@H](C(=O)NCC(C)(C)N)N(C)C	159974916	MHGSJIWOVMDIDA-SECBINFHSA-N	215.341	0.426	70	20	BCID	
CNC(=O)COc1cccc(OCCO)c1	160016900	SHVRQHVOIDSSBS-UHFFFAOYSA-N	225.244	0.183	70	20	BCID	
COC(=O)NCC(=O)N(C)Cc1cccn1C	160383307	XQHNOTKVUPYKMS-UHFFFAOYSA-N	239.275	0.340	70	20	BCID	
CO[C@@H](C)C(=O)N(C)C1CCC(N)CC1	160943478	MULAHGXKAQBJNH-IDKOKCKLSA-N	214.309	0.750	70	20	BCID	
CC(C)CC(=O)NCCC(=O)Nc1nnc[nH]1	161022731	MMRISZJTYFHPBN-UHFFFAOYSA-N	239.279	0.296	70	20	BCID	
C[C@@H](CC(N)=O)N[C@H]1CCCOCC1	161472840	VNKSDAAGRLVPRO-IUCAKERBSA-N	200.282	0.409	70	20	BCID	
O=C(NC[C@@]1(O)CCSC1)[C@@H]1CCCCO1	159901084	JUKIPTKBKITNPL-ONGXEEELSA-N	245.344	0.540	70	20	BCID	
CN(C)CCCNC(=O)NCC1CCOCC1	218709321	XPQUTRRIWSJANK-UHFFFAOYSA-N	243.351	0.664	70	20	BCID	
COCCNC(=S)N(C)[C@H]1CCSC1	160046401	HHVFAYBHIKODKP-QMMMGPOBSA-N	234.390	0.945	70	20	BCID	
CC(C)(CCO)NC(=O)[C@@H]1CCOC1	160770614	UMNSUQXVYRSRJU-MRVPVSSYSA-N	201.266	0.300	70	20	BCID	
C[C@]1(O)CCCN(C(=O)c2cn[nH]c2)C1	161025765	KVVHTHAUQXBGBA-JTQLQIEISA-N	209.249	0.397	70	20	BCID	
CN([C@H]1CCSC1)S(=O)(=O)Cl	59191575	VWBXBWJOBHKLGR-YFKPBYRVSA-N	215.727	0.907	70	20	BCID	
O=C(CC1(O)CCCC1)N[C@@H]1CCC[C@H]1O	161240695	MAOBAPXDGAIITP-NXEZZACHSA-N	227.304	0.711	70	20	BCID	
CCN(CCOC)C(=O)N[C@@H]1CCOC1	159548745	NNYGTOVKRJHNNV-SECBINFHSA-N	216.281	0.453	70	20	BCID	
O=C(NC[C@]1(O)CCSC1)[C@@H]1CCCCO1	159900926	JUKIPTKBKITNPL-GXSJLCMTSA-N	245.344	0.540	70	20	BCID	
C[C@@H]1COC[C@@H](C)N1C(=O)C[C@@H]1CCCN1	160521391	FXEGBVUFNDBGBV-MXWKQRLJSA-N	226.320	0.764	70	20	BCID	
C[C@@H](N)C(=O)Nc1nncn1Cc1ccccc1	161154215	PQCJNBQQIRCOJT-SECBINFHSA-N	245.286	0.612	70	20	BCID	
O=C(NCC1=CCNCC1)[C@@H]1CCOC1	160512763	VNYYJRTVOXYDFI-SNVBAGLBSA-N	210.277	0.059	70	20	BCID	
Cc1cc(NC(=O)c2nc(=O)[nH][nH]2)ccc1O	160670393	UCGMBLMLBJNCOR-UHFFFAOYSA-N	234.215	0.364	70	20	BCID	
CCOCCO[C@H](C)C(=O)N1CCCNCC1	160855668	HTBZNDMOZLXBOY-LLVKDONJSA-N	244.335	0.250	70	20	BCID	
C[C@H](CCO)CNC(=O)COC[C@H]1CCCO1	160941996	CAIVZUFNWSCLDA-GHMZBOCLSA-N	245.319	0.317	70	20	BCID	
O=S(=O)(F)C[C@@]12CCCN(CC1)C2	1887497533	RKRZUOBFRYBAEL-QMMMGPOBSA-N	207.270	0.772	70	20	BCID	
N[C@H]1CCC[C@H](NC(=O)[C@H]2CCCCN2)C1	160963544	ODTYGLIAGVGRCG-GARJFASQSA-N	225.336	0.515	70	20	BCID	
CNCCCNC(=O)[C@@]1(C)CCCNC1	161267733	CMYZVZZQFNFBKP-NSHDSACASA-N	213.325	0.102	70	20	BCID	
CNC(=O)c1ccc(OS(=O)(=O)F)cc1	1887576997	ZPCBUUAHFROXAX-UHFFFAOYSA-N	233.220	0.639	70	20	BCID	
CC(C)CS(=O)(=O)CC(=O)NC1CC=CC1	161027952	QENZBZZSXLQIHM-UHFFFAOYSA-N	245.344	0.892	70	20	BCID	
CCn1cnnc1CNC(=O)NC1CC=CC1	160292115	GMKSZHMNQHISRD-UHFFFAOYSA-N	235.291	0.816	70	20	BCID	
COCCN(C)C(=O)c1cccc(=O)n1C	160593799	TXUXKXZZBXQSFW-UHFFFAOYSA-N	224.260	0.104	70	20	BCID	
CCN1CC[C@H](NCC(=O)NC(C)C)[C@H](C)C1	160930286	KYRHHKKILKPISR-NEPJUHHUSA-N	241.379	0.831	70	20	BCID	
O=C(CNC1CC1)NC1CCSCC1	159618661	OQTHZWYFJFYQOW-UHFFFAOYSA-N	214.334	0.750	70	20	BCID	
NCC[C@@H]1CCN(CCn2cccn2)C1	160070570	BEHDGOGCAGXKMC-LLVKDONJSA-N	208.309	0.554	70	20	BCID	
c1ncn(Cc2nnc3n2CCCC3)n1	217323116	PAVKWLAWGDGGQL-UHFFFAOYSA-N	204.237	0.254	70	20	BCID	
CC[C@@H](CCO)N[C@H]1CCCNC(=O)C1	217801823	KRYPNADGEKJRGJ-UWVGGRQHSA-N	214.309	0.406	70	20	BCID	
CSC[C@H](C)NC(=O)N[C@H](C)CCO	160424849	BXYMOTVNAVUZSU-SFYZADRCSA-N	220.338	0.808	70	20	BCID	
CC[C@H](SC)C(=O)NCC[C@@H](O)COC	160822438	CBVDKZVHBOLOJA-BDAKNGLRSA-N	235.349	0.642	70	20	BCID	
Cc1ccc(NC(=O)C(=O)NC(C)C)cn1	159697113	ZATNYJQKGXXCCV-UHFFFAOYSA-N	221.260	0.853	70	20	BCID	
NC[C@H]1CCCN1C(=O)CC[C@H]1CCOC1	160294392	ASLYLLDQPBYXPN-WDEREUQCSA-N	226.320	0.753	70	20	BCID	
CCCNS(=O)(=O)N[C@@H](CO)CC(C)C	160666784	IWIGFWOIOOAUTO-SECBINFHSA-N	238.353	0.227	70	20	BCID	
CCNC(=O)CN1CCN(c2ccncc2)CC1	161309859	MHUNOMLHJZQLNF-UHFFFAOYSA-N	248.330	0.340	70	20	BCID	
CN1CC[C@H](CN(C)C(=O)N[C@@H]2CCOC2)C1	159459548	BRBQXPOBYCSQMF-WDEREUQCSA-N	241.335	0.368	70	20	BCID	
Clc1cnc(NCCn2ccnn2)nc1	159620664	UCYSFRSJBXYPLP-UHFFFAOYSA-N	224.655	0.834	70	20	BCID	
Cn1cc(CN2CC[C@H](CCN)C2)cn1	160047299	AFMPHSPJSLTTKE-JTQLQIEISA-N	208.309	0.591	70	20	BCID	
COC[C@H](O)CNc1ncccc1OC	160238918	DWUUGLJTNIPRCX-MRVPVSSYSA-N	212.249	0.509	70	20	BCID	
CC[C@]1(C)C[C@@H]1C(=O)NCC[C@H](O)COC	161205284	DOXVZBZMFLGXPJ-HOSYDEDBSA-N	229.320	0.936	70	20	BCID	
C[C@H](C(=O)NC1CC1)N1CCC[C@@H](N)C1	217529286	AASLYYGOIAFZPA-RKDXNWHRSA-N	211.309	0.077	70	20	BCID	
CCC(O)(CC)CNC(=O)[C@@H](C)OC	160793296	FTUIRLXCFUESFS-MRVPVSSYSA-N	203.282	0.689	70	20	BCID	
CCN(C[C@H]1CCCO1)S(=O)(=O)Cl	104751454	FRPWNDNUHBHZSX-SSDOTTSWSA-N	227.713	0.971	70	20	BCID	
CC(C)S(=O)(=O)CCCN1CCNCC1	216879652	PGYYTDUABGNRJK-UHFFFAOYSA-N	234.365	0.105	70	20	BCID	
Cn1cc(CC(=O)N2CC(O)C2)c2ccccc21	161474235	JPYYLIVFQYERLH-UHFFFAOYSA-N	244.294	0.924	70	20	BCID	
O=C(N[C@H]1CCOC1)N[C@H]1CCCSC1	159439915	LVUQLRHZHBUOOY-IUCAKERBSA-N	230.333	0.970	70	20	BCID	
Cc1ccc(CN2CC[C@@H](C(N)=O)C2)nc1	159864743	NLAQZZVEKRGGED-SNVBAGLBSA-N	219.288	0.697	70	20	BCID	
C[C@@H](C(=O)N[C@H]1c2ccccc2C[C@@H]1O)N(C)C	159895191	QSTYBKZGFSQQGR-XDTLVQLUSA-N	248.326	0.711	70	20	BCID	
CCCNS(=O)(=O)N1CCCC[C@@H]1C(C)=O	160600053	LJKBCGINMYCTTN-SNVBAGLBSA-N	248.348	0.674	70	20	BCID	
Cc1nc(CN2CCC3(C2)OCCO3)no1	160678155	JQIVOJSHPPWOQP-UHFFFAOYSA-N	225.248	0.327	70	20	BCID	
CC[C@@H](O)CCNC(=O)NC1CCN(C)CC1	160715010	NRGJYJHYHUIRNX-LLVKDONJSA-N	243.351	0.541	70	20	BCID	
CCNC(=O)NCCN1C(=O)CSC1=O	217307211	ZSOMUJWQEFFILI-UHFFFAOYSA-N	231.277	0.001	70	20	BCID	
CCOC(=O)CN(C)CCCc1cnn(C)c1	159533810	CDGBTXHUWTVCSD-UHFFFAOYSA-N	239.319	0.848	70	20	BCID	
NCC[C@H]1CCN(CCn2cccn2)C1	160070410	BEHDGOGCAGXKMC-NSHDSACASA-N	208.309	0.554	70	20	BCID	
CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCCCO1	160165312	IBWOCRJYCKGLDM-JTQLQIEISA-N	240.303	0.293	70	20	BCID	
CN(CCO)CCCN1CCCCC1	160521871	VVXBIBHNCZVPJE-UHFFFAOYSA-N	200.326	0.787	70	20	BCID	
C[C@@H]1CN(C(=O)N[C@H]2CCOC2)CCO1	159437642	JWRSUTHNKHSJFG-BDAKNGLRSA-N	214.265	0.206	70	20	BCID	
CC(C)c1cc(NC(=O)C2(N)CC2)[nH]n1	159463432	XCCIPDBRPLPDIR-UHFFFAOYSA-N	208.265	0.963	70	20	BCID	
CN(C)CCNC(=O)c1ccc2nc[nH]c2n1	159860555	XIROHEYOPHPOGS-UHFFFAOYSA-N	233.275	0.249	70	20	BCID	
COc1cccc(OC)c1CC(=O)NCCO	159488588	SEYKDVOODZBILR-UHFFFAOYSA-N	239.271	0.355	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)CNC2CC2)C1	160757394	CAYCJPYMDYMWNE-SCZZXKLOSA-N	211.309	0.125	70	20	BCID	
CCCS(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12	218060059	FZWXPSWBHXFUIQ-QWRGUYRKSA-N	246.376	0.943	70	20	BCID	
CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)O	218065006	DMFHJJRNUMXFOQ-BDAKNGLRSA-N	229.276	0.310	70	20	BCID	
O=S(=O)(NCCSCCCO)C1CC1	161310786	LUPDOKZHZHPKAL-UHFFFAOYSA-N	239.362	0.184	70	20	BCID	
C#CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123567280	DIWAXXAACFWGLW-UHFFFAOYSA-N	230.220	0.036	70	20	BCID	
O=S(=O)(Cl)c1[nH]nc2c1CCC2	100559276	DUKQZMUCKXXZEG-UHFFFAOYSA-N	206.654	0.826	70	20	BCID	
CCC(N)(CC)CNC(=O)C[C@H]1CCCN1	160536999	HSVAQAYQXMDYJE-SNVBAGLBSA-N	227.352	0.762	70	20	BCID	
CC(C)NCCC(=O)Nc1cccn(C)c1=O	159675537	JBXQMFWXFPPJKN-UHFFFAOYSA-N	237.303	0.712	70	20	BCID	
CCC(CC)(CN)C(=O)N[C@@H]1CCNC1	161158697	DIDKUVXSDDNAOA-SECBINFHSA-N	213.325	0.230	70	20	BCID	
COC(=O)CCN1CCC[C@H]1C[C@H](C)O	159385871	ZVZJUUWCVXCTMY-UWVGGRQHSA-N	215.293	0.785	70	20	BCID	
C[C@H](CO)N(C)Cc1ccc(CO)cc1	159458487	WUTPBJVUHIQHGT-SNVBAGLBSA-N	209.289	0.992	70	20	BCID	
C[C@@H](O)CCN(C)C(=O)N[C@@H]1CCOC1	159551562	HPNMMUNNRREHSY-RKDXNWHRSA-N	216.281	0.188	70	20	BCID	
COC[C@H](C)NC(=O)[C@H]1CCCCO1	159613457	GVDPSGIVOUJNDG-DTWKUNHWSA-N	201.266	0.707	70	20	BCID	
CCCCS(=O)(=O)N[C@@H]1CCC(=O)N(C)C1	160103237	RHDQZTMKNVNEBZ-SECBINFHSA-N	248.348	0.327	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(C)n[nH]1	160316774	SOSZJLOPKHJVAV-SSDOTTSWSA-N	239.275	0.790	70	20	BCID	
c1cnc(N2CCC[C@H]2CN2CCOCC2)nc1	160385077	KYHSEHCRIBSRIH-LBPRGKRZSA-N	248.330	0.778	70	20	BCID	
O=C(C[C@@H]1CCCN1)N1C[C@@H]2CCC[C@H](C1)N2	160580837	ULJWYOCOQKAIMI-SDDRHHMPSA-N	237.347	0.481	70	20	BCID	
Cn1cnnc1CN(C[C@@H]1CCOC1)C1CC1	160788792	JFJLKPQFSUJYAZ-JTQLQIEISA-N	236.319	0.816	70	20	BCID	
CSC[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]1C	217705888	PSJBAAQZMTVHEK-QXFUBDJGSA-N	217.334	0.873	70	20	BCID	
Cc1ccc(=O)n(CCS(=O)(=O)F)c1	883954912	PECQUWYKCQYEEI-UHFFFAOYSA-N	219.237	0.456	70	20	BCID	
C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@@H](N)C1	160271246	IVQLYNAGERYPCL-HBNTYKKESA-N	242.319	0.130	70	20	BCID	
O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CCCO1	160285053	BVJBGEUYWHRLMZ-LPEHRKFASA-N	213.277	0.585	70	20	BCID	
CCCCOCC(=O)N1CC[C@@H](NC)C1	160558450	ATYLNTVWNUBFQD-SNVBAGLBSA-N	214.309	0.623	70	20	BCID	
CC(=O)c1cccc(OCC(=O)N2CC(O)C2)c1	161413767	UBNSSFBAKFGRRS-UHFFFAOYSA-N	249.266	0.471	70	20	BCID	
Cc1nn(CCS(=O)(=O)F)cc1[N+](=O)[O-]	883953804	LOVZCQJAOJLCHH-UHFFFAOYSA-N	237.212	0.399	70	20	BCID	
COCCCC(=O)NC(C)(C)CCO	160785386	YDUBWTVJSBNNAU-UHFFFAOYSA-N	203.282	0.690	70	20	BCID	
CC1(C)CC(=O)N(CCS(=O)(=O)F)C1=O	883953391	TYRJWGTYFZARNQ-UHFFFAOYSA-N	237.252	0.071	70	20	BCID	
O=S(=O)(Cl)c1ccnn1[C@@H]1CCOC1	221891373	RQRTVRFIGNMYFS-ZCFIWIBFSA-N	236.680	0.772	70	20	BCID	
COC(=O)C[C@H](C)C(=O)N[C@@H](CO)CC(C)C	161194205	WUTHSCFCLLRZOP-VHSXEESVSA-N	245.319	0.709	70	20	BCID	
C[C@H](CO)N(C)C(=O)CCOC[C@@H]1CCCO1	160496936	LMMHFWQTRKKVPC-MNOVXSKESA-N	245.319	0.411	70	20	BCID	
Cc1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)[nH]n1	159637765	MGUMZFCMRMETMG-UHFFFAOYSA-N	232.243	0.967	70	20	BCID	
CCCn1c(C)nnc1CN(C)C[C@H](C)O	159554047	JZDIBGCTTKPBBC-VIFPVBQESA-N	226.324	0.809	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)[C@@H](C)C2CC2)C1	159561349	QNFNKIWPXILIMN-KWQFWETISA-N	224.304	0.770	70	20	BCID	
CNC[C@@H](C)C(=O)N1CC[C@@]2(CCNC2)C1	159392655	GJIGOOXYBKLRIA-ZYHUDNBSSA-N	225.336	0.054	70	20	BCID	
CC(C)(CCO)NC(=O)[C@H]1CCCO1	160781730	GQCMKDQYGVHSBS-MRVPVSSYSA-N	201.266	0.443	70	20	BCID	
Cn1cc(C(=O)N[C@H]2CCC[C@H](N)C2)cn1	161199779	MPAVZZRPUPWIJR-UWVGGRQHSA-N	222.292	0.420	70	20	BCID	
O=C(NCCF)c1cc(S(=O)(=O)F)c[nH]1	1349533852	XGDFGASIPPURKN-UHFFFAOYSA-N	238.215	0.372	70	20	BCID	
COc1ccc2c(c1)C=C(C(=O)NCCO)CO2	159426549	GYKVJDWYDXTXIX-UHFFFAOYSA-N	249.266	0.580	70	20	BCID	
CCCNC(=O)CSCCN1CCOCC1	159799737	JCGILDXEJSEHPB-UHFFFAOYSA-N	246.376	0.578	70	20	BCID	
CCCNC(=O)CN(C)C[C@H]1CCC[C@@H]1O	159753864	FAPNEAIOGIRLRU-MNOVXSKESA-N	228.336	0.605	70	20	BCID	
CC(C)OC(=O)CCN(C)CC(C)(CO)CO	159598781	FJPDXQJISDBSHZ-UHFFFAOYSA-N	247.335	0.251	70	20	BCID	
Fc1cnc(NCCn2ccnn2)nc1	159625075	GVHNUQQILWSREQ-UHFFFAOYSA-N	208.200	0.319	70	20	BCID	
CC(=O)N[C@@H]1CCCN(CCn2ccnc2)C1	159757758	JCXNAQNQXWNBTA-GFCCVEGCSA-N	236.319	0.484	70	20	BCID	
NCCCNC(=O)c1cc(F)cc2nccnc12	160066913	JWPQZKBIVVZLKA-UHFFFAOYSA-N	248.261	0.848	70	20	BCID	
CC[C@H](NCC(=O)NC(C)C)c1cnn(C)c1	160910608	BVUWVCLZDWFJII-NSHDSACASA-N	238.335	0.985	70	20	BCID	
CNC(=O)c1cc(S(C)(=O)=O)ccc1OC	161392996	YDTVXCYAGAMJAM-UHFFFAOYSA-N	243.284	0.458	70	20	BCID	
Cc1cccc([C@@H](C)C(=O)NCC(N)=O)c1	159419869	NUBKETVLFJTPSD-SECBINFHSA-N	220.272	0.700	70	20	BCID	
CCOCCC(=O)N[C@@H](C)CC(=O)OCC	160782621	ZYYCJRZBAWLETQ-VIFPVBQESA-N	231.292	0.871	70	20	BCID	
CO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2	160942140	MHVDQRFEWMIZJS-AEJSXWLSSA-N	212.293	0.374	70	20	BCID	
CSCCN(C)C(=O)[C@@]1(C)CCNC1	159999732	HBLFPSAMXSNDOB-JTQLQIEISA-N	216.350	0.807	70	20	BCID	
COC(=O)[C@@H](C)N1CCC[C@@H](CN)C1	217561834	WXQJOVLFQPEXRP-BDAKNGLRSA-N	200.282	0.219	70	20	BCID	
CN[C@@H](C)C(=O)NC[C@H](C)N1CCCC1	161069226	QQJRGWGLMJIHPD-UWVGGRQHSA-N	213.325	0.195	70	20	BCID	
CCc1noc2ncc(C(=O)NCCCN)cc12	160010598	DOKADEIAAAYFDK-UHFFFAOYSA-N	248.286	0.864	70	20	BCID	
C[C@H](CO)N(C)C(=O)c1cccc2c1OCO2	160552653	CDTAYWUNFPZWEP-MRVPVSSYSA-N	237.255	0.868	70	20	BCID	
COCCCN(C)C(=O)N[C@H]1CCOC1	159450868	SNHOGZZDRFPBSG-VIFPVBQESA-N	216.281	0.453	70	20	BCID	
CC[C@H](N)C(=O)NC[C@@H](O)[C@@H](C)CC	159819325	XOBLRGBICQFXJZ-XHNCKOQMSA-N	202.298	0.247	70	20	BCID	
COCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C	217724339	MPKMBVMKKAVXCV-ZJUUUORDSA-N	212.293	0.328	70	20	BCID	
O=C(CCc1ccco1)NC1(CO)CC1	161078248	IVKDPSSJYSZDQN-UHFFFAOYSA-N	209.245	0.853	70	20	BCID	
C[C@]1(CNC(=O)C2(N)CC2)CCCC[C@H]1O	160838273	QCJYGBNVSJMBAA-MWLCHTKSSA-N	226.320	0.535	70	20	BCID	
CCOCCN(C)Cc1n[nH]c(CC)n1	160245914	WCJSSOFYZLOINW-UHFFFAOYSA-N	212.297	0.835	70	20	BCID	
O=C(N[C@@H]1CCOC1)N1CCO[C@@H]2CCC[C@H]21	159452788	UFTJOONKUULEDJ-GMTAPVOTSA-N	240.303	0.738	70	20	BCID	
O=C([C@@H]1CCCO1)N1CCOc2ncccc21	160150963	IRSPUTBOYHMEQU-JTQLQIEISA-N	234.255	0.986	70	20	BCID	
CCOC[C@H](O)CN[C@H](CC)CCO	217816584	BERMDOCNNYYSRG-NXEZZACHSA-N	205.298	0.134	70	20	BCID	
COC(=O)[C@@H](NC(=O)CN)C1CCCCC1	217831569	BZDWUNFBUKICPP-JTQLQIEISA-N	228.292	0.183	70	20	BCID	
CCOC(=O)NCCOC(=O)C(C)C	218739138	KOHBFHFESBVQMJ-UHFFFAOYSA-N	203.238	0.932	70	20	BCID	
C[C@@]1(O)CCCN(CCC2OCCCO2)C1	160995389	CHIQEMLYNVDTDI-GFCCVEGCSA-N	229.320	0.986	70	20	BCID	
CO[C@H](C)C(=O)NCC(=O)C(C)(C)C	161007176	IWQIIALLLCRIRB-SSDOTTSWSA-N	201.266	0.753	70	20	BCID	
Cc1nccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)n1	161085354	QPLZWCQUMLWXKP-NXEZZACHSA-N	234.303	0.785	70	20	BCID	
COC(=O)[C@H](C)NC(=O)c1oc(C)nc1C	159606176	KIJICNYUZKLKML-LURJTMIESA-N	226.232	0.583	70	20	BCID	
CN1CCCC[C@@H]1CNC(=O)N1CCOCC1	160473274	FGCRGYFCBJPCPT-LLVKDONJSA-N	241.335	0.513	70	20	BCID	
CC(C)OCC(=O)NCC1=CCNCC1	160514433	QXHZHIUXKZRFFJ-UHFFFAOYSA-N	212.293	0.447	70	20	BCID	
CCCSCC(=O)N1CC[C@@H](NC)C1	160595522	AKCLEXHRNVMZPL-SECBINFHSA-N	216.350	0.950	70	20	BCID	
CCc1ccccc1C(=O)NCC(=O)NC	160655570	XOISAFLQWCMJRD-UHFFFAOYSA-N	220.272	0.725	70	20	BCID	
CC[C@H]1CO[C@H](C)CN1C(=O)COCCOC	218070719	OMKPGBLRWYTMKO-MNOVXSKESA-N	245.319	0.675	70	20	BCID	
CO[C@H]1COCC[C@H]1S(=O)(=O)Cl	306385341	FVTGPJYFSQGAIZ-NTSWFWBYSA-N	214.670	0.359	70	20	BCID	
C[C@H]1CN(CCS(=O)(=O)Cl)C[C@@H](C)O1	307182722	VTBOCQLHLWADKF-OCAPTIKFSA-N	241.740	0.664	70	20	BCID	
C[C@H](O)CCNC(=O)/C=C\c1cnn(C)c1	218294596	QQUKCMICAYYLBB-TYRPZCRBSA-N	223.276	0.320	70	20	BCID	
CC[C@H](CCO)NC(=O)[C@H]1CCCNC1	217931332	JRVYGEPMAJQCKV-VHSXEESVSA-N	214.309	0.263	70	20	BCID	
CCCNC(=S)NCc1ncn(C)n1	218737617	IBYYWYGRCPUDOH-UHFFFAOYSA-N	213.310	0.189	70	20	BCID	
O=C(NC[C@H]1CCCCO1)N[C@@H]1CCOC1	159422714	PALPEYQABFXNCE-NXEZZACHSA-N	228.292	0.644	70	20	BCID	
NCCc1cccc(S(=O)(=O)F)c1	2080418870	BIXVEBUUDPUOQX-UHFFFAOYSA-N	203.238	0.846	70	20	BCID	
COC[C@@](C)(NCCC(C)(C)O)C(=O)OC	159551447	CAYFNCWNZYGVSA-LLVKDONJSA-N	233.308	0.315	70	20	BCID	
CN(Cc1nccn1C)C(=O)[C@@H]1CCCCO1	160202314	PIPAMEGKLVAPJU-JTQLQIEISA-N	237.303	0.948	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)CCC2CC2)C1	159649014	VCNMETVIFQARSZ-LLVKDONJSA-N	224.304	0.914	70	20	BCID	
CCc1cc(O)nc(CN2CCOC[C@H]2C)n1	160794281	FBGDDESBRGBGJI-SECBINFHSA-N	237.303	0.965	70	20	BCID	
CCC[C@@H](O)CNCCS(=O)(=O)CC	217875819	NDHHHMAKUVUCDT-SECBINFHSA-N	223.338	0.172	70	20	BCID	
CCCC(=O)N1CC[C@H](OC)C[C@H]1CN	161044985	GIWYQHYNXJYMKF-UWVGGRQHSA-N	214.309	0.751	70	20	BCID	
OC[C@@H](O)CNc1nnc(C(F)(F)F)s1	161420268	HROKUEDECFNGHY-VKHMYHEASA-N	243.210	0.322	70	20	BCID	
C[C@H]1CN(C(=O)N[C@H]2CCOC2)CCO1	159437783	JWRSUTHNKHSJFG-IUCAKERBSA-N	214.265	0.206	70	20	BCID	
Cc1ccc(NC(=O)C(=O)NCC2CC2)cn1	159927160	HAUQNBNEVJAKEI-UHFFFAOYSA-N	233.271	0.855	70	20	BCID	
O=C([C@H]1CSCN1)N1C[C@H]2CCC[C@H]2C1	160361776	WXMGHXQOYUSQCT-KXUCPTDWSA-N	226.345	0.907	70	20	BCID	
CCN(CC)CCN(CCN)CCOC	160766786	YLYHZDIIBLOKTF-UHFFFAOYSA-N	217.357	0.235	70	20	BCID	
C[C@H]1CN(CCCCS(C)(=O)=O)[C@H](C)CO1	161388789	FIPBLVSKAXCEAW-MNOVXSKESA-N	249.376	0.920	70	20	BCID	
O=C(CCl)Nc1ccc(-c2nnn[nH]2)cn1	95235167	CLMVVINKSPTFPV-UHFFFAOYSA-N	238.638	0.439	70	20	BCID	
CCOC(=O)CN(C)CC(=O)N(C)CC1CC1	159523360	QHTOXQOJSQCDKQ-UHFFFAOYSA-N	242.319	0.350	70	20	BCID	
Cc1ncoc1C(=O)NC[C@H](C)CCO	159528507	LUSJOPMULMVESY-SSDOTTSWSA-N	212.249	0.731	70	20	BCID	
C[C@H](C(=O)NC1(CO)CC1)n1cccn1	159915487	OULHVXMYFQYTPJ-MRVPVSSYSA-N	209.249	0.085	70	20	BCID	
CNC[C@@H](C)C(=O)N(C)CCSC	160001073	AYNODFAISFFRBB-MRVPVSSYSA-N	204.339	0.663	70	20	BCID	
C[C@@H]1CC[C@H](NS(=O)(=O)NC2CC2)C1	160465235	CTAKYZLSKQLDBJ-APPZFPTMSA-N	218.322	0.761	70	20	BCID	
C[C@H](CO)SCC(=O)NCC(F)(F)F	160772936	ZUQQCIZONIDDJA-RXMQYKEDSA-N	231.239	0.779	70	20	BCID	
Cc1ccnc(N2CCN(C(=O)O)CC2)n1	217818686	FJSXEFGPUNPGGX-UHFFFAOYSA-N	222.248	0.585	70	20	BCID	
O=c1c(F)cccn1CCS(=O)(=O)F	883953732	JAYHEEZKEAGPDJ-UHFFFAOYSA-N	223.200	0.287	70	20	BCID	
CC1(NC(=O)c2ccc[nH]2)CCNCC1	160573805	NZRRRFGGBAHLBP-UHFFFAOYSA-N	207.277	0.887	70	20	BCID	
COC[C@@H](O)CCNC(=O)CCOC(C)C	161452913	OVHQNWNLBZZPML-JTQLQIEISA-N	233.308	0.315	70	20	BCID	
N[C@@H]1CCN(C(=O)[C@H]2NCCc3ccccc32)C1	160319209	BNOGDVGPIXOONF-YPMHNXCESA-N	245.326	0.433	70	20	BCID	
CCc1nc(CN2CC[C@H]([C@@H](C)O)C2)n[nH]1	160718115	DCOIVCQTFBHQRP-BDAKNGLRSA-N	224.308	0.570	70	20	BCID	
Cc1cc(C(=O)N(CC(N)=O)CC(C)C)on1	159766907	ZYCCHJQMJLUKTF-UHFFFAOYSA-N	239.275	0.567	70	20	BCID	
Cn1cc(CC(=O)N[C@@H]2CCC[C@@H](N)C2)cn1	161204753	ZIPMSAMDZDHMIO-GHMZBOCLSA-N	236.319	0.349	70	20	BCID	
CCCNS(=O)(=O)NCc1c[nH]nc1C	160771096	ANHMUEUDEOHCCT-UHFFFAOYSA-N	232.309	0.052	70	20	BCID	
CO[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1CN	160937582	OJQWBXYQKRYIEX-IVZWLZJFSA-N	214.309	0.607	70	20	BCID	
CC(=O)NCCNC(=O)c1ccncc1F	161425942	JBJLJTWXDWXZJI-UHFFFAOYSA-N	225.223	0.087	70	20	BCID	
CC(C)CNC(=S)N[C@@H]1CCN(C)C1=O	217547535	UCHLUJRDDFKNNE-MRVPVSSYSA-N	229.349	0.337	70	20	BCID	
Nc1ccc(C(=O)N[C@H]2CCCNC2)cc1	218512940	VZIPZITZXGZPAB-NSHDSACASA-N	219.288	0.751	70	20	BCID	
C=C(C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1351578822	OQBGZYVSWLFLIE-UHFFFAOYSA-N	246.263	0.979	70	20	BCID	
CNC[C@@H](C)CNC(=O)[C@H]1CCCCO1	160138139	PYZZSWLNDRDQFT-NXEZZACHSA-N	214.309	0.527	70	20	BCID	
CCCCn1c(O)nnc1S(=O)(=O)CC	161200778	NDHLBCGRAVMBJX-UHFFFAOYSA-N	233.293	0.577	70	20	BCID	
CC[C@H](C)C(=O)NCC1CCN(CCO)CC1	160569985	UEGBUQBEMQCRLT-NSHDSACASA-N	242.363	0.853	70	20	BCID	
CC(C)S(=O)(=O)CCCN1CCN(C)CC1	160461108	NTRMCDDILUJZTJ-UHFFFAOYSA-N	248.392	0.447	70	20	BCID	
CSCCN(C)C(=O)[C@H](N)C(C)C	160002464	VCHIBQJVBIFOSG-MRVPVSSYSA-N	204.339	0.791	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@H]1CCNC1	160552763	VFMDVTAVELVICV-VIFPVBQESA-N	213.325	0.230	70	20	BCID	
COC(=O)CCN1CC[C@H]([C@H](C)O)C1	161210700	JHTXTLRFIMOFHP-IUCAKERBSA-N	201.266	0.252	70	20	BCID	
C[C@H]1[C@H](S(=O)(=O)Cl)CCS1(=O)=O	306322447	KDLPPSUBPILDNH-CRCLSJGQSA-N	232.710	0.131	70	20	BCID	
CC1(NC(=O)c2cc[nH]n2)CCNCC1	160571229	SMVQESTVRWNLOP-UHFFFAOYSA-N	208.265	0.282	70	20	BCID	
CC[C@H](N)C(=O)NC[C@@H](O)c1ccsc1	161502470	HUPYCTZZNJODDT-DTWKUNHWSA-N	228.317	0.635	70	20	BCID	
C[C@@H](NS(=O)(=O)N(C)C)c1cccc(O)c1	160169309	AZIASUFUYRPMSO-MRVPVSSYSA-N	244.316	0.849	70	20	BCID	
NCCNC(=O)c1ccc2c(c1)NCC2	159745939	PYPJGXHLVSNHDH-UHFFFAOYSA-N	205.261	0.343	70	20	BCID	
O=S(=O)(Cl)N1CCCSCC1	104739571	SJKUZOJYOSRLHC-UHFFFAOYSA-N	215.727	0.909	70	20	BCID	
O=C1[C@@H]2CCCN2C(=O)N1CC(F)(F)F	160398370	VEYOHRAEYMVLHI-YFKPBYRVSA-N	222.166	0.975	70	20	BCID	
CC(C)C[C@@H](CN)NS(=O)(=O)NC(C)C	160866800	YPQLPVMDGNECGZ-VIFPVBQESA-N	237.369	0.192	70	20	BCID	
COCCC1(C(=O)NCCn2cccn2)CC1	160058338	FIIVBFMULCGBHY-UHFFFAOYSA-N	237.303	0.816	70	20	BCID	
CC(C)OCC(=O)N[C@H](C)[C@@H](C)CO	160248971	NUNYTHPMVDTZCF-DTWKUNHWSA-N	203.282	0.545	70	20	BCID	
O=C([C@@H]1CCCCN1)N1C[C@@H]2CCC[C@H](C1)N2	159869497	RZEGOBGIYHQAMA-TUAOUCFPSA-N	237.347	0.481	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)c1ccnn1C	159674356	FOCZXEHDUUMWRB-UHFFFAOYSA-N	238.291	0.004	70	20	BCID	
CNC[C@H]1CCCN1C(=O)[C@@H](C)COC	161233734	HXWVFLSFYDNXIY-VHSXEESVSA-N	214.309	0.479	70	20	BCID	
CC[C@@H](CCO)NC(=O)CNC(C)(C)C	160128957	VQSLEWKDCMPCIL-VIFPVBQESA-N	216.325	0.652	70	20	BCID	
C[C@@H](CO)CNC(=O)COCC(F)(F)F	160468268	YBGOOSVRBGWVQC-ZCFIWIBFSA-N	229.198	0.310	70	20	BCID	
CCOC(=O)[C@@H](C)NC(=O)c1ccn(C)n1	218032038	MRIXSZNFRVAGCZ-SSDOTTSWSA-N	225.248	0.102	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)CN(C)C(C)C	159677506	UTOXFKOHUZJRHM-UHFFFAOYSA-N	243.351	0.297	70	20	BCID	
CCOCCNC(=O)N[C@H]1CCOC1	159378950	AXBVEFXFEALLPY-QMMMGPOBSA-N	202.254	0.111	70	20	BCID	
O=C(NCCN1C(=O)CSC1=O)NC1CC1	217304162	GENMOWNYDLKKLP-UHFFFAOYSA-N	243.288	0.143	70	20	BCID	
Cn1ccnc(N[C@@]2(C)CCOC2)c1=O	160077949	YGJSSEYNUJSZQD-JTQLQIEISA-N	209.249	0.371	70	20	BCID	
CCCCN(C)CCNC(=O)N[C@@H](C)CCO	159813049	IOAATQUDCBQCCV-NSHDSACASA-N	245.367	0.788	70	20	BCID	
COCCS(=O)(=O)NCC1(C2CC2)CC1	160143285	IQYKPXJWMGIANA-UHFFFAOYSA-N	233.333	0.742	70	20	BCID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(N)=O	160742816	OUFVUBOGAPMGJG-HTQZYQBOSA-N	238.312	0.762	70	20	BCID	
O=C(NCc1ccon1)N[C@H]1CCOC1	159419184	LSGZHYOANFVUMK-QMMMGPOBSA-N	211.221	0.263	70	20	BCID	
Cn1cc(NC(=O)N[C@H]2CCOC2)cn1	159402425	AUMAXBPFPDUQCN-ZETCQYMHSA-N	210.237	0.331	70	20	BCID	
CC[C@H](C(N)=O)N(C)C[C@@H]1CCC[C@@H]1O	159864742	GQRHLETYYAGXMH-AEJSXWLSSA-N	214.309	0.343	70	20	BCID	
COCCCNC(=O)c1cc(C)ncn1	161163637	FPJPVBSZWRZBBJ-UHFFFAOYSA-N	209.249	0.551	70	20	BCID	
CN(Cc1ncnn1C)C[C@@H]1CCC[C@@H]1O	159552397	AZJXBGLGRACADS-UWVGGRQHSA-N	224.308	0.408	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)c1ccnc(C)n1	161293820	MVBCPMXOJGAJEB-JTQLQIEISA-N	234.303	0.609	70	20	BCID	
CCCC[C@@H](COC)NC(=O)[C@H]1CNCCO1	159654200	MBWZQFJILJISNT-WDEREUQCSA-N	244.335	0.296	70	20	BCID	
CS(=O)(=O)N1CCC[C@H](N2CCCC2)CC1	160117671	VYTCFLCDXHPOHV-NSHDSACASA-N	246.376	0.896	70	20	BCID	
CNC(=O)CCNc1ncccc1OC	160222995	ZFAXKWOJNJIZGA-UHFFFAOYSA-N	209.249	0.638	70	20	BCID	
CCN(CCCO)C(=O)c1cc(C)no1	160316900	PSKGHYRCYZQDFW-UHFFFAOYSA-N	212.249	0.828	70	20	BCID	
COCCCNC(=O)[C@@H](C)S[C@H](C)CO	160772678	FWWRKAPQJWBLFD-RKDXNWHRSA-N	235.349	0.642	70	20	BCID	
Cc1cc(C(=O)N[C@@H]2CCC[C@H](N)C2)no1	161145470	NSGDOZSXZVOHQG-DTWKUNHWSA-N	223.276	0.983	70	20	BCID	
CCN(C)C(=O)CN[C@H]1CS[C@@H](C)C1	217354099	PZBQAJHJCVEGAG-DTWKUNHWSA-N	216.350	0.948	70	20	BCID	
COC[C@](C)(NCCC(C)(C)O)C(=O)OC	159551324	CAYFNCWNZYGVSA-NSHDSACASA-N	233.308	0.315	70	20	BCID	
Cn1cnnc1Cn1nnc(-c2ccccc2)n1	160916545	KNLQMVPORXPVDM-UHFFFAOYSA-N	241.258	0.517	70	20	BCID	
CC(C)[C@H](C(=O)N[C@H]1CCC[C@H](N)C1)N(C)C	161210346	DXLBAGXHOGIBNY-SDDRHHMPSA-N	241.379	0.959	70	20	BCID	
Cc1cc(C(=O)N[C@@H]2CCC[C@@H](N)C2)n(C)n1	161316752	RNKSNXDMTLXMGZ-NXEZZACHSA-N	236.319	0.728	70	20	BCID	
O=C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1	217663405	ATSOVUVRRFKJIQ-UHFFFAOYSA-N	220.228	0.180	70	20	BCID	
CNS(=O)(=O)N(C)Cc1ccc(O)cc1	160639374	YVNWPFUDSMEKEG-UHFFFAOYSA-N	230.289	0.288	70	20	BCID	
COC(=O)[C@@H]1CCCN([C@H](C)C(=O)OC)C1	218203948	FKRQZEYHVLNNHR-RKDXNWHRSA-N	229.276	0.433	70	20	BCID	
CCCN(C)S(=O)(=O)NC[C@](C)(O)CC	160300189	FTQQUYHTYUUTPY-SECBINFHSA-N	238.353	0.324	70	20	BCID	
OCC1(CSCCN2CCOCC2)COC1	159847919	SZMGXBXCELRKCF-UHFFFAOYSA-N	247.360	0.061	70	20	BCID	
CCOC(=O)[C@@H](C)S(=O)(=O)Cl	106321529	CXGQQVHQRPNNIJ-SCSAIBSYSA-N	200.643	0.507	70	20	BCID	
CNC(=O)CN(C)C(=O)c1cccc(C)c1F	161412567	DSPKAFJLWYWYBB-UHFFFAOYSA-N	238.262	0.952	70	20	BCID	
NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1	160999060	ZNMQTBRCWOQTIG-ZJUUUORDSA-N	240.303	0.279	70	20	BCID	
CN(C)C(=O)c1ccnc(-n2cccn2)c1	159408160	JRYWSZZCKJAKAK-UHFFFAOYSA-N	216.244	0.969	70	20	BCID	
CO[C@@]1(CNc2nc3ccccn3n2)CCOC1	160643103	YGMAGOUTNJYOFJ-GFCCVEGCSA-N	248.286	0.947	70	20	BCID	
CC(C)c1cc(=O)n(CC(=O)N(C)C)cn1	160691975	WOGHRZINVAEYKF-UHFFFAOYSA-N	223.276	0.455	70	20	BCID	
C[C@H](CO)Sc1ncnc2c1cnn2C	160954999	ZRRBRGZDEOOTTN-ZCFIWIBFSA-N	224.289	0.836	70	20	BCID	
CCOCCCC(=O)N[C@@H]1CCN(C(C)=O)C1	159717046	MWHOJLADODARLI-LLVKDONJSA-N	242.319	0.540	70	20	BCID	
CSCCN(C)C(=O)CC[C@@H](C)N	160001907	VAAJFIXPXQAVMF-MRVPVSSYSA-N	204.339	0.935	70	20	BCID	
CCOCCC(=O)N(CC)CCCO	160303588	NLVVBGRTMNJFOE-UHFFFAOYSA-N	203.282	0.644	70	20	BCID	
CCS(=O)(=O)CCS[C@H](C)CO	160715739	FMYNQFBKGXEMIT-SSDOTTSWSA-N	212.336	0.535	70	20	BCID	
CC[C@@H](CSC)NC(=O)CNCCOC	217333132	IGBJUKINPGJYNY-VIFPVBQESA-N	234.365	0.480	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@H]1C[C@@H]1C1CC1	161110185	GMFCGGWWNTYKEF-MXWKQRLJSA-N	227.304	0.546	70	20	BCID	
CC[C@H](C)OCC(=O)N(C)C[C@@H](C)O	160091391	ZTGRSZHRSXDKSY-BDAKNGLRSA-N	203.282	0.641	70	20	BCID	
CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCOC1	159448358	VNPOMKDWAOLHDQ-GHMZBOCLSA-N	242.319	0.986	70	20	BCID	
CC[C@H]1CCC[C@@H]1NC(=O)CNC(C)=O	159576870	KUIMLLUHCPFZJN-UWVGGRQHSA-N	212.293	0.817	70	20	BCID	
CN(CCO)CCN(C)C(=O)c1ccccc1	217349702	ZZLZGCAGGMEVEQ-UHFFFAOYSA-N	236.315	0.683	70	20	BCID	
COC[C@H]1CCCCN1S(=O)(=O)Cl	238383019	YHXQAOWEFGZLJV-SSDOTTSWSA-N	227.713	0.971	70	20	BCID	
Cc1cccc(CCNC(=O)NCCO)c1	217408102	RKQYTQUBPAKAMW-UHFFFAOYSA-N	222.288	0.829	70	20	BCID	
COCCCOCCCS(=O)(=O)Cl	112356283	NEAPSTUEFCYCLM-UHFFFAOYSA-N	230.713	0.998	70	20	BCID	
O=C(c1ccccc1)N1CC[C@@H](CO)[C@H](O)C1	216987352	SGKUWTREQIFDER-NWDGAFQWSA-N	235.283	0.502	70	20	BCID	
C[C@H](CC(=O)N(C)C)NCC(C)(C)O	160633363	HGRMPAMZFBRILL-MRVPVSSYSA-N	202.298	0.214	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@H](C)NC(C)=O	160446861	WOJNOXROEGPFRC-QMMMGPOBSA-N	229.324	0.145	70	20	BCID	
NC1(C(=O)NC[C@H](O)c2ccsc2)CC1	160440918	LWOAOZRKWMDKEZ-QMMMGPOBSA-N	226.301	0.389	70	20	BCID	
COCCC(=O)NC1(C)CCNCC1	160574847	ALBDSFUHVCKPDL-UHFFFAOYSA-N	200.282	0.281	70	20	BCID	
CCCNS(=O)(=O)NC1CCC(O)CC1	160660906	ABEDIILZJHDHQL-UHFFFAOYSA-N	236.337	0.124	70	20	BCID	
C[C@H](CNC(=O)c1nnc[nH]1)N1CCCC1	161473032	RNDXTJVRNZFYRJ-MRVPVSSYSA-N	223.280	0.019	70	20	BCID	
CC(C)N(C)C(=O)[C@@H](C)N(C)C[C@@H](C)O	159438366	OHWKFVUBQBBHNM-NXEZZACHSA-N	216.325	0.554	70	20	BCID	
Cc1nc(S(=O)(=O)Cl)n(C)c1C	1537962844	GDCOUIDHVDYMIL-UHFFFAOYSA-N	208.670	0.964	70	20	BCID	
CC[C@@H](O)CCN[C@@H]1CCCNC(=O)C1	218776306	GOLDVGCKTBHZDW-NXEZZACHSA-N	214.309	0.406	70	20	BCID	
C[C@@H]1CN(S(=O)(=O)Cl)CC(C)(C)O1	104846344	QADBVCBLLXJYGE-ZCFIWIBFSA-N	227.713	0.969	70	20	BCID	
COC[C@H](O)CCNC(=O)C[C@@H](C)SC	161309107	GRVGLMYTVJTCMA-RKDXNWHRSA-N	235.349	0.642	70	20	BCID	
Nc1ncn(CC(=O)N2C[C@@H]3CCC[C@H]3C2)n1	159517967	GRZMWZOBOGZNGU-IUCAKERBSA-N	235.291	0.119	70	20	BCID	
CC[C@@H](CCO)NC(=O)Cn1cccn1	160131280	BIGAVAQQWKXYDT-VIFPVBQESA-N	211.265	0.160	70	20	BCID	
CC(C)NS(=O)(=O)NCC(F)(F)F	160450509	MJXWYTTWCLLIBZ-UHFFFAOYSA-N	220.216	0.381	70	20	BCID	
CCNc1nc(C(=O)N[C@@H](C)C(N)=O)cs1	160103356	ZBHNHMDGZFJFOE-YFKPBYRVSA-N	242.304	0.179	70	20	BCID	
CC[C@H](O)CCN[C@H]1CCC[C@@H]1CN	218765185	BABLUMCRSHSHSG-VWYCJHECSA-N	200.326	0.864	70	20	BCID	
C[C@]1(O)CCCN(C(=O)NC[C@@H]2CCOC2)C1	160940738	SCOGHNUIMLJXJB-JQWIXIFHSA-N	242.319	0.579	70	20	BCID	
CCOCCC(=O)N[C@@H]1CCN(C(C)=O)C1	159733698	MOYRYCJUYPUIDN-SNVBAGLBSA-N	228.292	0.150	70	20	BCID	
COC(CN(C)[C@@H]1CCCCNC1=O)OC	160906705	PIQLJYJKNUEUBM-SECBINFHSA-N	230.308	0.206	70	20	BCID	
Cc1cc(CS(=O)(=O)Cl)n(C)n1	91323845	KBEOPEWUCNUXEK-UHFFFAOYSA-N	208.670	0.797	70	20	BCID	
COC(=O)C(C)(C)NCCOCC1CC1	159528304	LLKNYMBGBMACQG-UHFFFAOYSA-N	215.293	0.954	70	20	BCID	
CSCCC(=O)N[C@H]1CCN(C(C)=O)C1	159683763	FVTLSSCIWGQGBI-VIFPVBQESA-N	230.333	0.477	70	20	BCID	
CN(C)C(=O)CCCC(=O)N1CCC[C@@H]1CN	160178862	RROSGTQRGJZBTG-SNVBAGLBSA-N	241.335	0.195	70	20	BCID	
CC[C@@H](CCO)NC(=O)N[C@@H](COC)C1CC1	160280298	VHHNEPLLKCXMNC-QWRGUYRKSA-N	244.335	0.872	70	20	BCID	
CC(C)C[C@H](CO)NC(=O)Cc1cnn(C)c1	160645622	KOJWXJUNYOALIV-LLVKDONJSA-N	239.319	0.486	70	20	BCID	
CC(C)C[C@H](CO)NC(=O)[C@H]1CCCN1C	160950147	FEOSAOJIKOKJDJ-GHMZBOCLSA-N	228.336	0.604	70	20	BCID	
COC[C@H](O)CCNC(=O)c1ccsc1	161125579	ZXKBGHXBFOFVCO-SECBINFHSA-N	229.301	0.875	70	20	BCID	
COC(=O)[C@@H](C)N1CC[C@@H](N2CCCC2)C1	217409366	VBLQBTIPUARJIW-GHMZBOCLSA-N	226.320	0.718	70	20	BCID	
O=S(=O)(F)CCn1cc(Cl)cn1	883953472	WXUAPYPYXYOXMC-UHFFFAOYSA-N	212.633	0.836	70	20	BCID	
O=C(C(=O)N1CCC(O)CC1)c1ccc(O)cc1	217345754	RVJMZINVHWEYKH-UHFFFAOYSA-N	249.266	0.558	70	20	BCID	
CCSCCN1CCO[C@@H](CN)C1	159515323	ZSGSRNOASJUUTM-VIFPVBQESA-N	204.339	0.399	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)/C=C/c1ccnn1C	161341425	VIPZFXIFTDBTKX-FYJFLYSWSA-N	248.330	0.644	70	20	BCID	
Cn1nccc1Cn1nc(-c2ccco2)oc1=O	161313836	KMFKUIQMBSSTJR-UHFFFAOYSA-N	246.226	0.878	70	20	BCID	
CC(C)(C)NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	160242200	QRJCJNOMNQGZQM-YUMQZZPRSA-N	243.307	0.117	70	20	BCID	
CC(C)(N)CNC(=O)[C@@H]1CCc2cn[nH]c2C1	159945178	MUJPDUBQLLRYOY-MRVPVSSYSA-N	236.319	0.368	70	20	BCID	
COC(=O)CCN1CCC[C@@H]1C[C@@H](C)O	159386229	ZVZJUUWCVXCTMY-NXEZZACHSA-N	215.293	0.785	70	20	BCID	
CS[C@@H](C)CNC(=O)N[C@@H]1CCOC1	159431294	NYQTXLJFHNVWLM-JGVFFNPUSA-N	218.322	0.826	70	20	BCID	
COCCN[C@@H]1C[C@H](C)N(C)C[C@@H]1C	217904461	GXBHJFXQMYMVDO-GARJFASQSA-N	200.326	0.951	70	20	BCID	
Cc1nn(C)cc1CS(=O)(=O)Cl	128682947	NJVRFRYSGLUWOU-UHFFFAOYSA-N	208.670	0.797	70	20	BCID	
CC[C@H](CCO)NC(=O)[C@H]1CC[C@H](C)O1	160121857	QFTDLDCNMYBZFJ-IVZWLZJFSA-N	215.293	0.831	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@H](C)CSC	160966066	JRTNJRHIRWBSKB-BDAKNGLRSA-N	235.349	0.499	70	20	BCID	
OCCOCCSCCN1CCOCC1	160065410	BLILZVCIJYKLCE-UHFFFAOYSA-N	235.349	0.061	70	20	BCID	
NCCCNC(=O)CCC1CCOCC1	160175615	UGVQBYQNFKXZBY-UHFFFAOYSA-N	214.309	0.658	70	20	BCID	
CCOCCCNC(=O)[C@H](C)N(C)C[C@@H](C)O	159394366	QNRYAKSCNZSVDV-MNOVXSKESA-N	246.351	0.230	70	20	BCID	
CCCn1c(C)nnc1CN(C)C[C@@H](C)O	159553924	JZDIBGCTTKPBBC-SECBINFHSA-N	226.324	0.809	70	20	BCID	
NCC[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1	159999904	LCNZXGBAHSAPEZ-ZJUUUORDSA-N	212.293	0.220	70	20	BCID	
CC(C)OC(=O)CCCNC(=O)N[C@H](C)CO	160179406	VWGISMBMDSXWMP-SECBINFHSA-N	246.307	0.398	70	20	BCID	
CCN(CCCO)C(=O)c1cnccn1	160311820	MCNAPRRONYLUCV-UHFFFAOYSA-N	209.249	0.321	70	20	BCID	
CCNS(=O)(=O)N[C@@H]1CCCCC[C@H]1O	160732993	OAHCRCUMFPEWPQ-RKDXNWHRSA-N	236.337	0.124	70	20	BCID	
CCOC(=O)[C@@H](CC)N1CCN[C@@H](C)C1	159579769	LOUMGFBAXMMCPJ-VHSXEESVSA-N	214.309	0.622	70	20	BCID	
C[C@H](NC(=O)[C@H]1CCNC1)[C@@H]1CCCO1	218253668	ZQYSGDDMOQARKB-GUBZILKMSA-N	212.293	0.280	70	20	BCID	
C[C@@H]1CN(Cc2ccc(CO)o2)CCO1	161156195	GRFOOQRLNLQXMG-SECBINFHSA-N	211.261	0.993	70	20	BCID	
CC(C)[C@@H](CCO)NC(=O)[C@@H]1CSCN1	159598314	WFRYMAQKJPLDDV-BDAKNGLRSA-N	232.349	0.172	70	20	BCID	
CCOCC(=O)N[C@@H](CCO)C(C)C	160698532	PBRABHQXSIMAOQ-VIFPVBQESA-N	203.282	0.546	70	20	BCID	
CN1CCC[C@@H]1CN(C)S(=O)(=O)Cl	167363212	XUXKBOCXLZLULG-SSDOTTSWSA-N	226.729	0.496	70	20	BCID	
Cn1cnc2cc(C(=O)N[C@H]3CCOC3)cnc21	160966272	UTUWVWDQEZNXPR-VIFPVBQESA-N	246.270	0.487	70	20	BCID	
CS[C@@H](C)CNC(=O)NCCC(=O)N(C)C	159648282	IQTYGANMNZMRLO-QMMMGPOBSA-N	247.364	0.515	70	20	BCID	
CCC[C@@H](C(=O)NCc1nncn1C)N(C)C	159751597	DHIYOFQLHQWOFC-VIFPVBQESA-N	239.323	0.162	70	20	BCID	
CCN(CCCO)C(=O)[C@@H]1CCSC1	160305508	CDPQZJZGFGKYQT-SECBINFHSA-N	217.334	0.970	70	20	BCID	
COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](O)C(C)(C)C	159682508	MZXFACXZGZWQJR-VGMNWLOBSA-N	243.303	0.319	70	20	BCID	
CCCCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	160241424	CIOZNSNTTAZSEJ-IUCAKERBSA-N	243.307	0.119	70	20	BCID	
C[C@H](S[C@H](C)CO)C(=O)NC1CC1	160730558	CECRQRUPRITFAJ-RQJHMYQMSA-N	203.307	0.768	70	20	BCID	
COc1ccc(C(=O)NCc2ncc[nH]2)nn1	159862154	IMSIACRSEXVFMI-UHFFFAOYSA-N	233.231	0.138	70	20	BCID	
CC(C)C[C@H]1COCCN1C(=O)[C@H](C)N	159629282	PTFOPGHVJZZTNE-UWVGGRQHSA-N	214.309	0.607	70	20	BCID	
CN(C)CCCNC(=O)[C@H]1CCCCO1	160972532	MTFUHSFFHNTJFR-SNVBAGLBSA-N	214.309	0.623	70	20	BCID	
CCCS(=O)(=O)CC(=O)NC1CC=CC1	160938113	CECKEMBXSKLHHW-UHFFFAOYSA-N	231.317	0.646	70	20	BCID	
CCO[C@H]1C[C@H](NC(=O)CNC)C12CCC2	160992327	QIAMTADRUDLLPN-UWVGGRQHSA-N	226.320	0.670	70	20	BCID	
COC[C@H](O)CCNC(=O)CCOC(C)C	161453048	OVHQNWNLBZZPML-SNVBAGLBSA-N	233.308	0.315	70	20	BCID	
Cc1cn(CCS(=O)(=O)F)nc1[N+](=O)[O-]	883953750	JXXVGLBSCMETCI-UHFFFAOYSA-N	237.212	0.399	70	20	BCID	
O=C(NC[C@H]1CCC[C@@H]1O)[C@H]1CCCO1	160081920	ZFGLAQXUCSZRFW-KXUCPTDWSA-N	213.277	0.443	70	20	BCID	
COC[C@@H](C)N[C@@H](CCO)CSC	160413866	RSLWZFNYDDZSPZ-BDAKNGLRSA-N	207.339	0.725	70	20	BCID	
O=S1(=O)CCCN(CCCCCO)CC1	217931558	AYOFCYAJGKRBFI-UHFFFAOYSA-N	235.349	0.270	70	20	BCID	
COC(=O)[C@H](C(C)C)S(=O)(=O)Cl	59025728	ZCQYFEOQLGDHAL-YFKPBYRVSA-N	214.670	0.753	70	20	BCID	
CCCO[C@@H]1CCCN(C(=O)CN)CC1	159469953	LWFBTWUBBWWPPD-SNVBAGLBSA-N	214.309	0.753	70	20	BCID	
COCCC(=O)N1CC[C@@H]([C@@H](C)N)C1	159515192	PLODCYOOKWGOMW-RKDXNWHRSA-N	200.282	0.219	70	20	BCID	
COC(=O)[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C	159550813	DQFGRMMGCXTMAV-XLPZGREQSA-N	201.266	0.297	70	20	BCID	
NC(=O)[C@H]1CN(CCC2CCCC2)CCO1	159898722	JZORPJCDBGUXIW-LLVKDONJSA-N	226.320	0.753	70	20	BCID	
CN(C)CCNC(=O)CN(C)[C@@H]1CCSC1	160004657	YDWWKXICUDGJFB-SNVBAGLBSA-N	245.392	0.102	70	20	BCID	
C/C=C\C(=O)N1CCC2(CC1)CNC(=O)C2	217508669	ILOLOXGMJWIZIS-IHWYPQMZSA-N	222.288	0.691	70	20	BCID	
CC[C@@H](O)CCNC1CCS(=O)(=O)CC1	218757801	LIJLWIZZQOUWRW-SNVBAGLBSA-N	235.349	0.314	70	20	BCID	
O=S(=O)(Cl)C[C@@H](F)[C@@H]1CCOC1	1537958744	IMKFSZBVZLYXTA-PHDIDXHHSA-N	216.661	0.930	70	20	BCID	
CC(C)(CCO)NC(=O)c1ccccn1	160772566	ARFVMGGGWVVNAU-UHFFFAOYSA-N	208.261	0.972	70	20	BCID	
CC[C@@H](C)OCC(=O)NCC[C@@H](O)COC	161115700	LGQIINZNYITAMK-NXEZZACHSA-N	233.308	0.315	70	20	BCID	
CN[C@H]1CCN(C(=O)[C@@H]2CSCCS2)C1	160774592	LWEGLMDFENUNFK-IUCAKERBSA-N	246.401	0.655	70	20	BCID	
CSCCN(C)C(=O)[C@]1(C)CCNC1	159999876	HBLFPSAMXSNDOB-SNVBAGLBSA-N	216.350	0.807	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)C1CCOCC1	160215102	NXPNOQAISBLXNM-VIFPVBQESA-N	243.303	0.871	70	20	BCID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC(N)=O	160742687	OUFVUBOGAPMGJG-YUMQZZPRSA-N	238.312	0.762	70	20	BCID	
NCCC(=O)NCc1ccccc1OCCO	161249205	HVPIFIXVRZEYLG-UHFFFAOYSA-N	238.287	0.023	70	20	BCID	
C#CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1349233913	ITMUUWDBLXEYQU-UHFFFAOYSA-N	244.247	0.378	70	20	BCID	
CCOCCO[C@@H](C)C(=O)NC[C@H](C)CCO	161073714	RYIXYADMGCMMRU-MNOVXSKESA-N	247.335	0.563	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@H](C(C)C)N(C)C	161204618	CPNDXVZDRWBPEW-QWRGUYRKSA-N	246.351	0.086	70	20	BCID	
CCCn1c(C)nnc1Cn1nnnc1C	161414145	HHJDJXFTWJYELC-UHFFFAOYSA-N	221.268	0.340	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnns1	160017614	SKQYMOIXDOXFPV-ZCFIWIBFSA-N	243.288	0.610	70	20	BCID	
C[C@H](CN)C(=O)NC[C@@H](C)N1CCCC1	160935392	BMBQDPKRCHULJQ-NXEZZACHSA-N	213.325	0.182	70	20	BCID	
NC(=O)CCCCSCCN1CCOCC1	159856358	OVRXTSUGRPRWER-UHFFFAOYSA-N	246.376	0.707	70	20	BCID	
C[C@H](O)C[C@H]1CCCN1CCCCO	159384275	SEMHJSUWQHWTMA-WDEREUQCSA-N	201.310	0.994	70	20	BCID	
CC[C@@H](N)C(=O)NC[C@@H](C)N1CCCC1	161038610	QEJXTPSDNYSXAC-NXEZZACHSA-N	213.325	0.324	70	20	BCID	
CCO[C@@H](C)C(=O)N[C@H]1CCN(C(C)=O)C1	159715676	LLMBVYCOHMWNCF-WPRPVWTQSA-N	228.292	0.148	70	20	BCID	
CC1(NC(=O)[C@H]2CCC(=O)NC2)CCC1	160017525	UPOWIMIRXKUJPL-QMMMGPOBSA-N	210.277	0.571	70	20	BCID	
COc1cc(C(=O)NCCOC(C)C)on1	159805525	AGAIXOJIDYBEEO-UHFFFAOYSA-N	228.248	0.838	70	20	BCID	
COCCN(CCn1ccnc1)CC(=O)OC	159824009	YQCHTTDHIVVRBI-UHFFFAOYSA-N	241.291	0.005	70	20	BCID	
CNC(=O)CNC(=O)c1cc(F)c(C)cc1F	159852991	PSMILVKHBBUIGA-UHFFFAOYSA-N	242.225	0.749	70	20	BCID	
C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1354469323	HZRJORWFPRNIIT-LURJTMIESA-N	246.263	0.977	70	20	BCID	
COCCNC(=O)NCc1ccc(CO)cc1	217307287	SWRNSAYXEQHOTB-UHFFFAOYSA-N	238.287	0.625	70	20	BCID	
CC(C)CC[C@@H](C)NC(=O)[C@H]1C[C@@H](O)CN1	218367467	MKUMHUIDSKUTFG-GMTAPVOTSA-N	228.336	0.650	70	20	BCID	
CNC[C@H]1CCCN(C(=O)[C@@H](C)OC)C1	160916125	JJNMMFRDZCPNMA-NXEZZACHSA-N	214.309	0.479	70	20	BCID	
Cc1nccc(C(=O)N[C@@H](CO)CC(C)C)n1	161250193	ACHXEMIECNMUAZ-SNVBAGLBSA-N	237.303	0.922	70	20	BCID	
COCCN(CCOC)C(=O)C(F)F	217616561	SMRIHPJSVGBMGF-UHFFFAOYSA-N	211.208	0.373	70	20	BCID	
CC(=O)CCC(=O)NC[C@H](C)N(C)C1CC1	217916626	PYDVCKOMCUNACY-VIFPVBQESA-N	226.320	0.955	70	20	BCID	
CC[C@H]1CN(C(=O)N[C@H]2CCOC2)CCO1	159447970	YGOXDZJRXLLDNG-UWVGGRQHSA-N	228.292	0.596	70	20	BCID	
Cc1noc([C@@H]2COCCN2CCCO)n1	160790222	NOESORRMTXCMGI-VIFPVBQESA-N	227.264	0.134	70	20	BCID	
CC1(C)CN(C(=O)N[C@H]2CCOC2)CCO1	159436197	DSUNQNXOWXWOGO-VIFPVBQESA-N	228.292	0.596	70	20	BCID	
CCC(N)(CC)CNC(=O)Cc1cnn(C)c1	160418704	NOEJRKPMURVLOT-UHFFFAOYSA-N	238.335	0.596	70	20	BCID	
C[C@@H](C(=O)N[C@@H]1CCC[C@H](N)C1)N(C)C	161193504	RDTJTLJIZMDPGV-LPEHRKFASA-N	213.325	0.323	70	20	BCID	
CSC[C@H](C)NC(=O)CNC1CC1	159624582	HXRJSGNBVOLUJP-ZETCQYMHSA-N	202.323	0.606	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)COCC2CC2)C1	159800611	KRSZRRIPQPSNAU-LLVKDONJSA-N	240.303	0.150	70	20	BCID	
CC1(NC(=O)c2csnn2)CCNCC1	160576207	PFOGRMXQYWTHCM-UHFFFAOYSA-N	226.305	0.410	70	20	BCID	
COC(=O)[C@H](C)N1CC[C@H]([C@H](C)N)C1	160603537	PACGEABSSVQHPJ-CIUDSAMLSA-N	200.282	0.217	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)C[C@@H]1CCCN1	161348279	SHYRLPRORZAEFD-QWRGUYRKSA-N	225.336	0.339	70	20	BCID	
COCCC(=O)NCC1(N)CCCCC1	159494142	KUNNFPJIDQWNDH-UHFFFAOYSA-N	214.309	0.801	70	20	BCID	
CCCNC(=O)CNC(=O)C(C)(C)COC	160277517	AOXUALSZCUYOIR-UHFFFAOYSA-N	230.308	0.301	70	20	BCID	
O=C(NCCc1cscn1)N[C@@H]1CCOC1	159459178	QBXCXJFHWRRHRO-MRVPVSSYSA-N	241.316	0.774	70	20	BCID	
COCc1nc(C(=O)NC[C@@H](C)CO)cs1	160448058	GTRNNGGSGHIHFG-SSDOTTSWSA-N	244.316	0.648	70	20	BCID	
COC(=O)[C@H](Cc1ccccc1O)NC(C)=O	218243569	FUZIOAVMWQKAHQ-JTQLQIEISA-N	237.255	0.612	70	20	BCID	
Cc1nn(C)cc1CNCC1(O)CCC1	160143945	GRCWYDHEQQOQPS-UHFFFAOYSA-N	209.293	0.733	70	20	BCID	
CS[C@H](C)CNC(=O)NCCn1cccn1	159693936	JUAKCCDTZOBXHY-SECBINFHSA-N	242.348	0.934	70	20	BCID	
CC(C)[C@@H](O)CCNC(=O)[C@@H]1CCCCN1	160896835	ZWVDRTAMSREIJQ-QWRGUYRKSA-N	228.336	0.652	70	20	BCID	
CC1(C)CN(C(=O)N[C@@H]2CCOC2)CCO1	159436061	DSUNQNXOWXWOGO-SECBINFHSA-N	228.292	0.596	70	20	BCID	
CCCCN(CCOC)C(=O)[C@@H](C)N	159551217	PGQQARLMTMOVKW-SECBINFHSA-N	202.298	0.609	70	20	BCID	
CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1CSCN1	159816040	VQVZIICBMFFMPT-XHNCKOQMSA-N	232.349	0.172	70	20	BCID	
COC[C@@H](C)NC(=S)N[C@]1(C)CCOC1	160043367	QVBPSSRZYORAHJ-PSASIEDQSA-N	232.349	0.664	70	20	BCID	
CC(=O)N[C@@H]1CCN(c2nccnc2Cl)C1	160312937	HCSNATSFUHGFAK-MRVPVSSYSA-N	240.694	0.845	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@H]1CC1(C)C	161423492	WDSSMZADDHKCEX-RKDXNWHRSA-N	215.293	0.546	70	20	BCID	
N[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2N)C1	160259821	HPAFEEHIFRMURI-IJLUTSLNSA-N	239.363	0.844	70	20	BCID	
CCc1cc(NC(=O)[C@@H]2CCCNC2)n(C)n1	160826227	BHWXYXUGKOEWNL-SECBINFHSA-N	236.319	0.921	70	20	BCID	
CCN(CC)CC(=O)N[C@H](CO)CC(C)C	160990363	MMFJRRUDUWRWMQ-NSHDSACASA-N	230.352	0.851	70	20	BCID	
c1cnn(CCSCCN2CCOCC2)c1	159847761	HNKSSQWQWIBLOS-UHFFFAOYSA-N	241.360	0.949	70	20	BCID	
COC[C@H](O)CNC(=O)[C@@H](C)CSC	159479782	AQIFQIXTJRVOHJ-JGVFFNPUSA-N	221.322	0.109	70	20	BCID	
Cc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)on1	160336861	NDJBMZIJYMFPDL-AOOOYVTPSA-N	235.287	0.950	70	20	BCID	
COCCN(CCO)C(=O)C1CCC1	160342500	SNKPYGNPCHZZDQ-UHFFFAOYSA-N	201.266	0.254	70	20	BCID	
CSC[C@](C)(O)CNC(=O)COC(C)C	217632327	CXNMUOGWSZEGEA-SNVBAGLBSA-N	235.349	0.642	70	20	BCID	
CSC[C@@](C)(O)CNC(=O)c1cncs1	217696167	AFKLMYBLGPFVBZ-VIFPVBQESA-N	246.357	0.987	70	20	BCID	
CCOC[C@@H](O)CN[C@H](CC)CCO	217816507	BERMDOCNNYYSRG-ZJUUUORDSA-N	205.298	0.134	70	20	BCID	
C[C@@H]1CN(C(=O)[C@@]2(C)CCCNC2)CCN1	161278105	YUBQWFBHPXTYGB-PWSUYJOCSA-N	225.336	0.196	70	20	BCID	
CN(C)[C@@H](C(=O)NCCCN)c1ccccc1	160081426	HGTMAAFWNRKTBO-GFCCVEGCSA-N	235.331	0.754	70	20	BCID	
CCc1nc(CN2CCOC[C@H]2C2CC2)n[nH]1	160163912	XRFLEKNSHBBVKU-JTQLQIEISA-N	236.319	0.978	70	20	BCID	
CCOC(=O)[C@H](C)CNC(=O)[C@H]1CCCNC1	160802403	IXJQXHAPGLXDCV-ZJUUUORDSA-N	242.319	0.301	70	20	BCID	
COCCCNC(=O)[C@H]1CCCCO1	160943790	XVPJDUGBXJGPEE-SECBINFHSA-N	201.266	0.708	70	20	BCID	
CC[C@H](C)[C@H](O)CNC(=O)[C@H](N)CCSC	159819901	ZJCKRIDUGOEVPG-IVZWLZJFSA-N	248.392	0.590	70	20	BCID	
C[C@H](Oc1cccnc1)C(=O)NCC(C)(C)N	160073495	RINPAMKSEPEMDJ-VIFPVBQESA-N	237.303	0.702	70	20	BCID	
CC(C)NS(=O)(=O)NC1CCC(N)CC1	160470125	STLCZRVHLFGAKS-UHFFFAOYSA-N	235.353	0.089	70	20	BCID	
CC(C)CNC(=S)N[C@H]1CCN(C)C1=O	217547621	UCHLUJRDDFKNNE-QMMMGPOBSA-N	229.349	0.337	70	20	BCID	
C[C@H](CNCCS(C)(=O)=O)N(C)C1CC1	218564158	UIKKWLIXCVTWAX-SECBINFHSA-N	234.365	0.103	70	20	BCID	
Cc1cnc(C(=O)NC2(CO)CC2)cn1	159909648	KCSYQERDNKVDAH-UHFFFAOYSA-N	207.233	0.040	70	20	BCID	
Cn1cccc1C(=O)N[C@@H]1CCC[C@H]1O	161244769	OGWALRWMFPZDPH-PSASIEDQSA-N	208.261	0.668	70	20	BCID	
Cc1nnnn1Cc1ncc(Cl)n1C	160453296	HDONHCPHRSOTHS-UHFFFAOYSA-N	212.644	0.417	70	20	BCID	
CCNS(=O)(=O)N[C@@H]1CC[C@H](C)C1	160463618	ZRELBRHFRCOXEO-JGVFFNPUSA-N	206.311	0.619	70	20	BCID	
COC[C@H](C)N(C)C(=O)N[C@@H]1CCOC1	159547191	HACPYCYHWZRTLB-DTWKUNHWSA-N	216.281	0.452	70	20	BCID	
CCOCCO[C@@H](C)C(=O)NC[C@@H](O)C(C)C	159763064	FRQCHHIXGLDHNW-WDEREUQCSA-N	247.335	0.561	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)[C@H]2CCCS2)C1	159559720	UGPWFJDUPYPLSQ-VHSXEESVSA-N	242.344	0.619	70	20	BCID	
COC[C@@H](C)NC(=S)N[C@H]1CCOC1	159581226	NMDFISVJIUTXGJ-SFYZADRCSA-N	218.322	0.274	70	20	BCID	
CCN(CCCO)C(=O)c1cccn1C	160302331	XTQGPSNNGVNVDB-UHFFFAOYSA-N	210.277	0.870	70	20	BCID	
O=C(NC[C@@H]1CCOC1)N[C@@H]1CCOC1	159393607	SLLYZWNHOUREGN-DTWKUNHWSA-N	214.265	0.111	70	20	BCID	
CCOC(=O)CCCN(C)CC(C)(CO)CO	159545506	STAGKIQHOTZDRL-UHFFFAOYSA-N	247.335	0.252	70	20	BCID	
Cc1ccc(C(=O)N(CC(N)=O)CC(C)C)cn1	159743762	PXAADHBXYYIEQN-UHFFFAOYSA-N	249.314	0.974	70	20	BCID	
CN(C)CC(=O)NC[C@]1(C)CCCNC1	159961852	MTGSSKMBYKNINE-LLVKDONJSA-N	213.325	0.054	70	20	BCID	
CC[C@H](CCO)NC(=O)N[C@H](COC)C1CC1	160280677	VHHNEPLLKCXMNC-GHMZBOCLSA-N	244.335	0.872	70	20	BCID	
NC[C@H]1CCCN1C(=O)CC[C@@H]1CCOC1	160294141	ASLYLLDQPBYXPN-GHMZBOCLSA-N	226.320	0.753	70	20	BCID	
COC(=O)NCC(=O)NCCCC(C)(C)CO	160349818	LZDJIUYRBZNGTQ-UHFFFAOYSA-N	246.307	0.257	70	20	BCID	
CCOCC(=O)NC1(C)CCNCC1	160573533	JSYNTKJTHPYBPU-UHFFFAOYSA-N	200.282	0.281	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)CN(CC)CC	160833173	JTXAYQOQZZYQAF-JTQLQIEISA-N	244.335	0.786	70	20	BCID	
COCCC1(CNC(=O)N[C@@H](C)CO)CC1	161029529	GIFLEMWMUJPUJH-VIFPVBQESA-N	230.308	0.483	70	20	BCID	
CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(N)=O	218018542	DZXRHLZMFDLEPZ-XHNCKOQMSA-N	200.282	0.407	70	20	BCID	
O=C1N[C@@H](CS(=O)(=O)F)CCCC1(F)F	1887578916	MBAJXSWXTYSYBX-RXMQYKEDSA-N	245.222	0.590	70	20	BCID	
CC[C@H](COC)NS(=O)(=O)[C@H](C)COC	160324939	VHHYPNWYFPVEBT-RKDXNWHRSA-N	239.337	0.366	70	20	BCID	
CCn1nccc1CN1CCC[C@@H]1C(N)=O	160334398	JEFRDQHEFHMQIT-SNVBAGLBSA-N	222.292	0.353	70	20	BCID	
CCOCC(=O)N1CCc2ncncc2C1	218049589	RITAYDNGIAKGTH-UHFFFAOYSA-N	221.260	0.398	70	20	BCID	
CCS(=O)(=O)CCCS(=O)(=O)Cl	114438951	ZBHSZEQUPUNISV-UHFFFAOYSA-N	234.726	0.380	70	20	BCID	
O=S(=O)(c1cnc[nH]1)N1[C@H]2C=CC[C@H]1CC2	218761546	DWKCOKQRYIIFMJ-IUCAKERBSA-N	239.300	0.891	70	20	BCID	
OCCN1CCC([C@@H](O)C(F)(F)F)CC1	161323484	IGTGYARLKLMUOQ-MRVPVSSYSA-N	227.226	0.614	70	20	BCID	
CN(C)c1ccc(CN2CCNC(=O)C2)cn1	160512375	NRQOUDGILRQIOH-UHFFFAOYSA-N	234.303	0.079	70	20	BCID	
Cc1nnc(CS(=O)(=O)Cl)n1C	157451430	AFQHKNGMLRZTLO-UHFFFAOYSA-N	209.658	0.192	70	20	BCID	
CN[C@H]1CCN(C(=O)[C@H](C)COC)C1	160582615	BZVBCBWASKJMSU-BDAKNGLRSA-N	200.282	0.089	70	20	BCID	
CCCCN(CC(N)=O)Cc1nccn1C	160786721	NENYNUWPBZYOTA-UHFFFAOYSA-N	224.308	0.508	70	20	BCID	
C[C@@H](O)CCNC(=O)[C@@]1(C)CCCCN1	159564436	OGUROWWFYZHMRN-MWLCHTKSSA-N	214.309	0.406	70	20	BCID	
CCOCCNC(=O)N[C@@H]1CCOC1	159378817	AXBVEFXFEALLPY-MRVPVSSYSA-N	202.254	0.111	70	20	BCID	
CC(C)[C@H](O)CCNC(=O)[C@@H]1CCCCN1	160896714	ZWVDRTAMSREIJQ-WDEREUQCSA-N	228.336	0.652	70	20	BCID	
CCCCNC(=O)CCCNC(=O)O	217575152	FVWSVBZHNVYUCR-UHFFFAOYSA-N	202.254	0.951	70	20	BCID	
C[C@@H](C(=O)N[C@@H]1c2ccccc2C[C@H]1O)N(C)C	159895329	QSTYBKZGFSQQGR-ZWKOPEQDSA-N	248.326	0.711	70	20	BCID	
CC(=O)N[C@@H](C)C(=O)Nc1ccncc1O	159735557	JMGMASYJTCJTEF-LURJTMIESA-N	223.232	0.250	70	20	BCID	
O=C(N[C@H]1CCC[C@H]1CO)c1cn[nH]c1	217901702	UYCAQOMKRGADFK-CBAPKCEASA-N	209.249	0.301	70	20	BCID	
CN(C[C@@H]1CCCN1C)C(=O)N1CCOCC1	160667545	WPHZAYHXNWOQTF-NSHDSACASA-N	241.335	0.465	70	20	BCID	
NC(=O)CONC(=O)c1cc(F)c(F)c(F)c1	160679734	MXJRIORWKSIERC-UHFFFAOYSA-N	248.160	0.251	70	20	BCID	
Cc1cc(CN2CCC3(C2)OCCO3)no1	160715832	AXSXTZJINGGWII-UHFFFAOYSA-N	224.260	0.932	70	20	BCID	
Cc1ccsc1CCCC(=O)NCC(N)=O	160742406	YCTPWTQBGZJQKC-UHFFFAOYSA-N	240.328	0.981	70	20	BCID	
CC[C@@H](CCO)NC(=O)c1cn[nH]c1C	160120164	QAHKECANYOFEJK-QMMMGPOBSA-N	211.265	0.609	70	20	BCID	
CCCCS(=O)(=O)NC1(C)CCNCC1	160580689	QDWIWQKRQFXANJ-UHFFFAOYSA-N	234.365	0.848	70	20	BCID	
O=C(NCC[C@H](O)c1ccccc1)[C@@H]1CCNC1	160853047	QECSAXJVGCQFJI-OLZOCXBDSA-N	248.326	0.836	70	20	BCID	
CCC(CC)(CN)C(=O)N1CC[C@@H](NC)C1	161158111	HHLYECZZYOSGIG-SNVBAGLBSA-N	227.352	0.572	70	20	BCID	
C/C=C/C(=O)NC[C@](C)(O)CSC	217705492	SQYJHWMYOYQXJM-MOVJSRMASA-N	203.307	0.793	70	20	BCID	
CCCN(CC(=O)OC)CC(OC)OC	160308391	GECFTPHHZATMAL-UHFFFAOYSA-N	219.281	0.490	70	20	BCID	
COCCN(C)C(=O)/C=C/c1cnn(C)c1C	160594079	OSEOVBSOQNSCAB-AATRIKPKSA-N	237.303	0.847	70	20	BCID	
COCC(C)(C)C(=O)NCC(C)(C)CO	160684596	NRBVLNIIPZRHSH-UHFFFAOYSA-N	217.309	0.794	70	20	BCID	
O=C(NOCc1cccnc1)C1=COCCO1	160828640	NWBCMKTWPWSMKW-UHFFFAOYSA-N	236.227	0.518	70	20	BCID	
CCC(CC)(CN)C(=O)N1CCC[C@@H](N)C1	161157359	OWXWIJFCBUOCLY-SNVBAGLBSA-N	227.352	0.701	70	20	BCID	
CC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O	217924168	INLZNVDQKMROTN-LBPRGKRZSA-N	232.283	0.924	70	20	BCID	
CCO[C@@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1	159383999	SVSABNKTOXGODX-GHMZBOCLSA-N	242.319	0.986	70	20	BCID	
C[C@@H](NCc1cc(F)cc(F)c1)C(N)=O	159653841	SGKHSQGYJUVNLD-ZCFIWIBFSA-N	214.215	0.928	70	20	BCID	
C[C@H](Oc1cccc(OCCO)c1)C(N)=O	160016216	XVYCLRMTDOFLLC-QMMMGPOBSA-N	225.244	0.310	70	20	BCID	
CCOC(=O)NCCCC(=O)N1CC[C@H](O)C1	160061495	HTQXBXXTTPUSML-VIFPVBQESA-N	244.291	0.106	70	20	BCID	
CCOCC(=O)N[C@@H](C)CC(=O)OCC	160061814	DSDHGQDFEGIPRW-QMMMGPOBSA-N	217.265	0.481	70	20	BCID	
CCO[C@@H](C)C(=O)N[C@@H](CO)CC(C)C	160919207	ATWJGKAONZQYCB-VHSXEESVSA-N	217.309	0.935	70	20	BCID	
CC[C@](CCS(=O)(=O)F)(C(C)=O)C(=O)O	1595127925	DOMFADIKOAMLTD-QMMMGPOBSA-N	240.252	0.746	70	20	BCID	
CC(=O)N1CCC[C@@H](S(=O)(=O)Cl)C1	100596411	XPPWLKSMXZBGMF-SSDOTTSWSA-N	225.697	0.566	70	20	BCID	in-vitro
CC(=O)N[C@H]1CCCN(CCn2ccnc2)C1	159757871	JCXNAQNQXWNBTA-LBPRGKRZSA-N	236.319	0.484	70	20	BCID	
C[C@@]1(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CCNC1	160743144	DLSAFSFBWHYOTE-NTZNESFSSA-N	237.347	0.339	70	20	BCID	
O=S(=O)(F)CCn1ncc2c1C[C@@H](O)CC2	883953850	NENUIMSDMRWLFP-QMMMGPOBSA-N	248.279	0.032	70	20	BCID	
CN(C)CCCNC(=O)N[C@H]1CCOC1	159533700	HNMPLKCBFFWPDA-VIFPVBQESA-N	215.297	0.026	70	20	BCID	
N[C@H]1CCC[C@@H](NC(=O)c2cnns2)C1	161286098	ZSTXXYCRBPODDJ-NKWVEPMBSA-N	226.305	0.538	70	20	BCID	
CC[C@H](C)OCC(=O)NCCn1cccn1	161020092	TWMNPHUOBQXBRI-JTQLQIEISA-N	225.292	0.814	70	20	BCID	
Cc1cc(NC(=O)CN(C)C(C)C)c[nH]c1=O	159774078	MXUHOSUFTTZKMW-UHFFFAOYSA-N	237.303	0.962	70	20	BCID	
CCC[C@@H](N)C(=O)NC(C)(C)C(=O)N(C)C	159409001	NPWYIMGDQZPXKO-MRVPVSSYSA-N	229.324	0.097	70	20	BCID	
Cn1cc(CNC(=O)N[C@H]2CCOC2)cn1	159391544	ATHFPOPITFOALB-VIFPVBQESA-N	224.264	0.008	70	20	BCID	
CSC[C@](C)(O)CNC(=O)c1cn[nH]c1	217671103	XAVZCEIPOJNRNT-SECBINFHSA-N	229.305	0.254	70	20	BCID	
CCOC(=O)CNC(=O)C[C@@H](C)SC	160298041	HBASDMPFDGLBRX-SSDOTTSWSA-N	219.306	0.807	70	20	BCID	
CNC[C@H]1CCCN1C(=O)[C@@H](C)OC	160943094	HMNWJLDLLUXNIU-RKDXNWHRSA-N	200.282	0.232	70	20	BCID	
CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c(=O)c1	159569392	MNLAUBFUDAQMHO-LLVKDONJSA-N	249.314	0.589	70	20	BCID	
CSCC[C@H](C)N(C)C[C@H](O)CO	160394133	QXIOAKYKXWJPCL-IUCAKERBSA-N	207.339	0.413	70	20	BCID	
CCN(CCCO)CCn1ccnc1C	160376440	ZZFKKZZGGFBROQ-UHFFFAOYSA-N	211.309	0.896	70	20	BCID	
CCSCCn1c(=O)ccn(C)c1=O	160547861	NFWLFOYKCOVUEN-UHFFFAOYSA-N	214.290	0.300	70	20	BCID	
CCOC(=O)C[C@H](O)CS[C@@H](C)CO	161072729	CNVPZDCASNNAPA-YUMQZZPRSA-N	222.306	0.415	70	20	BCID	
O=C(N[C@@H]1CCOC1)N1CCCOCC1	159549330	PDLQESQKYZWFPR-SECBINFHSA-N	214.265	0.207	70	20	BCID	
CCN(CC)C(=O)N(C)CCCC(=O)NC	159386419	GPRWFMFDWORDAV-UHFFFAOYSA-N	229.324	0.906	70	20	BCID	
CCn1cc(NC(=O)NC2(CO)CC2)cn1	160360461	GGABQILBCDCDMW-UHFFFAOYSA-N	224.264	0.549	70	20	BCID	
C[C@@H](CCO)CNC(=O)/C=C\c1cnn(C)c1	218016724	LKBHUFQIVPLCEI-XOULXFPDSA-N	237.303	0.568	70	20	BCID	
CCC(N)(CC)CNC(=O)C1(C(=O)NC)CC1	160465811	AEEMSDADPCOGAI-UHFFFAOYSA-N	241.335	0.146	70	20	BCID	
NC(=O)CSCC(=O)NC1CC=CC1	161026471	BAGMXZMNEARYHR-UHFFFAOYSA-N	214.290	0.040	70	20	BCID	
COC[C@@H](NC(=O)Nc1ccn(C)n1)C1CC1	159768587	NUNLLOZGBMVXFB-SECBINFHSA-N	238.291	0.967	70	20	BCID	
CCO[C@H](C)C(=O)N1CCC[C@@H]1CNC	161343157	NHSGDOOBGKWKLF-NXEZZACHSA-N	214.309	0.622	70	20	BCID	
CC[C@H](CCO)NC(=O)Cc1cnn(C)c1	159396888	SZXJVWCCMDYQAF-SNVBAGLBSA-N	225.292	0.240	70	20	BCID	
CCCN(C(=O)[C@@H](C)OC)[C@@H]1CCNC1	160930429	IMTNBLYDXGFJQZ-NXEZZACHSA-N	214.309	0.622	70	20	BCID	
C[C@H]1CCN(C(=O)c2nnc[nH]2)C[C@H]1C	161019834	QIXOMUKVJWFXRE-JGVFFNPUSA-N	208.265	0.923	70	20	BCID	
Cn1ncc(N)c1C(=O)Nc1cccnn1	161057304	AXHHAIVBOLNHLU-UHFFFAOYSA-N	218.220	0.045	70	20	BCID	
CC[C@H](C)[C@@H](C)NC(=O)CN(C)C(=O)COC	159779576	YRCFGEYTGKHJBB-VHSXEESVSA-N	244.335	0.642	70	20	BCID	
COC(=O)[C@@H]1CN(CCOCC2CC2)CCO1	160511874	PDNUJNKDVUMGRF-NSHDSACASA-N	243.303	0.287	70	20	BCID	
CO[C@H](C)CCC(=O)N(C)[C@@H](C)CO	159654213	CJVCOSDLCJMQNT-DTWKUNHWSA-N	203.282	0.641	70	20	BCID	
CC[C@@H](O)CCNC(=O)N[C@H]1CCOC1	159548039	WBNZWANYHMWCIY-DTWKUNHWSA-N	216.281	0.236	70	20	BCID	
CCCN1CCCN(C(=O)COCC)CC1	160360592	PHORRCIJWFCMHS-UHFFFAOYSA-N	228.336	0.967	70	20	BCID	
Cc1cccc(C(=O)N(C)CC(N)=O)c1F	161464791	YLZUWHZTKFTUAF-UHFFFAOYSA-N	224.235	0.691	70	20	BCID	
CC(C)n1ncnc1CS(=O)(=O)Cl	114628621	OULJAYYUPDOFRC-UHFFFAOYSA-N	223.685	0.928	70	20	BCID	
CC[C@H]1CN(C(=O)N[C@@H]2CCOC2)CCO1	159447731	YGOXDZJRXLLDNG-ZJUUUORDSA-N	228.292	0.596	70	20	BCID	
Cc1c(C(=O)NCCO)cnn1CC(C)C	159968954	CBWWSDQWXQYZFG-UHFFFAOYSA-N	225.292	0.570	70	20	BCID	
NC(=O)CN1CCO[C@]2(CCc3ccccc32)C1	159614400	LUOBJIKJNDXGAH-CQSZACIVSA-N	246.310	0.646	70	20	BCID	
O=C1N[C@H](CS(=O)(=O)F)CCCC1(F)F	1887578917	MBAJXSWXTYSYBX-YFKPBYRVSA-N	245.222	0.590	70	20	BCID	
CCC[C@H](O)CNC(=O)C1(N)CCC1	217966152	WMKIBSOWJBXPTD-QMMMGPOBSA-N	200.282	0.145	70	20	BCID	
N[C@H]1CCC[C@@H](NC(=O)CC2CCNCC2)C1	161200179	XPHLUSRBAKENAE-NWDGAFQWSA-N	239.363	0.762	70	20	BCID	
CC[C@]1(C)C[C@H]1C(=O)NCC[C@H](O)COC	161205490	DOXVZBZMFLGXPJ-JBLDHEPKSA-N	229.320	0.936	70	20	BCID	
Cc1cc(C(=O)NC(C)(C)CCO)on1	160771838	ALHRZLYBGYNIQR-UHFFFAOYSA-N	212.249	0.874	70	20	BCID	
COC[C@@H](O)CNc1nc(C)nc(OC)c1C	159401201	DCQOGGSQRUQUNO-VIFPVBQESA-N	241.291	0.521	70	20	BCID	
Cn1cnn(Cc2ccn(C3CCCC3)n2)c1=O	160783775	HGPZQCVNZUJDHF-UHFFFAOYSA-N	247.302	0.942	70	20	BCID	
CC(C)OCCNC(=O)[C@H]1CCCN1C	159777171	PLFNKTYXCVAIDB-SNVBAGLBSA-N	214.309	0.622	70	20	BCID	
CCN(CCCO)C(=O)[C@H]1CCSC1	160305645	CDPQZJZGFGKYQT-VIFPVBQESA-N	217.334	0.970	70	20	BCID	
CC(C)S(=O)(=O)CCCN1CC[C@@H](N)C1	216879592	POQAHFHSZASNKT-SNVBAGLBSA-N	234.365	0.233	70	20	BCID	
COCCC1(C(=O)N[C@H](C)C(N)=O)CCCC1	160178411	OKKFRUNWRCLJEX-SECBINFHSA-N	242.319	0.573	70	20	BCID	
CN1CCC[C@@H](N(C)C(=O)N[C@@H]2CCOC2)C1	160515982	KRMPJFYIYUBMEL-GHMZBOCLSA-N	241.335	0.511	70	20	BCID	
Cc1nccc(C(=O)N[C@H](CO)CC(C)C)n1	161250108	ACHXEMIECNMUAZ-JTQLQIEISA-N	237.303	0.922	70	20	BCID	
CCN(CCCO)[C@H](C)C(=O)NC1CC1	160728454	IKPAPESGGWHRRI-SECBINFHSA-N	214.309	0.358	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)c1cnn(C)c1	159774050	MMIOMYYDBKEXMG-UHFFFAOYSA-N	238.291	0.004	70	20	BCID	
CC[C@@H](CSC)NC(=O)C(C)(C)N	217332879	QUEYORRTWZMBPS-ZETCQYMHSA-N	204.339	0.982	70	20	BCID	
COCCNC(=O)[C@]1(C)CCCCN1	159545646	AHFLWIBBKJEKFJ-JTQLQIEISA-N	200.282	0.281	70	20	BCID	
NCCCNC(=O)c1ccc(N2CCCC2)nn1	160147219	FCOLIOQHAXNWAQ-UHFFFAOYSA-N	249.318	0.155	70	20	BCID	
CC(C)N1CCC(C(=O)NCCCN)CC1	160079614	PGMGDFBGZBFHKY-UHFFFAOYSA-N	227.352	0.572	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)OCC	160491149	ZVRLMOLRDXZSPN-BDAKNGLRSA-N	231.292	0.869	70	20	BCID	
CN[C@@H]1CCN(C(=O)/C=C/c2ccnn2C)C1	160750849	NLDITMVAUJUFIK-HMDXOVGESA-N	234.303	0.254	70	20	BCID	
CC[C@H](CSC)NC(=O)[C@H](N)CCOC	217332305	XGOMECNCGGZJSW-RKDXNWHRSA-N	234.365	0.608	70	20	BCID	
CC[C@@H](COC)NS(=O)(=O)CCCOC	160291842	GFUAYBKJZJBJEE-VIFPVBQESA-N	239.337	0.367	70	20	BCID	
Cc1cc(NC(=O)[C@@H]2CCCO2)c[nH]c1=O	159502635	LPEWPQOROHBBGG-VIFPVBQESA-N	222.244	0.801	70	20	BCID	
COC(=O)[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2C)C1	160280324	FEIWVIGNCZHXIJ-LPEHRKFASA-N	241.287	0.433	70	20	BCID	
CCCCS(=O)(=O)N1CC[C@H](CCN)C1	160015555	IBIMDQXGGHRSRX-JTQLQIEISA-N	234.365	0.787	70	20	BCID	
COCCN(CCO)C(=O)C1CCCC1	160346546	KAOFCRHFQMVGCN-UHFFFAOYSA-N	215.293	0.644	70	20	BCID	
CN1CCC(CS(=O)(=O)Cl)CC1	97972238	AFYXFKSGSRVPNP-UHFFFAOYSA-N	211.714	0.897	70	20	BCID	
CN1CC[C@H](NC(=O)NCc2ccccn2)C1=O	161277941	BSBSOTBYSSTXHM-JTQLQIEISA-N	248.286	0.112	70	20	BCID	
Cn1ccc(CN2CCC[C@@H]2C(N)=O)c1	160324728	QBFIHCDPIKOJNJ-SNVBAGLBSA-N	207.277	0.475	70	20	BCID	
C[C@@]1(O)CCCN(C(=O)NC2CCOCC2)C1	160680174	ZHQKPHLCDZXQAA-GFCCVEGCSA-N	242.319	0.722	70	20	BCID	
CCN(CC)CCOC(=O)CNC(C)=O	217997838	WOUSSHANTFCBGB-UHFFFAOYSA-N	216.281	0.008	70	20	BCID	
CC(C)[C@H](CCO)NC(=O)[C@@H]1CCOC1	160484140	FAXICVSQPZLNHX-ZJUUUORDSA-N	215.293	0.546	70	20	BCID	
CC(C)(C)OC(=O)N[C@H](CNC(N)=O)C1CC1	160761070	SDTKLFSUDJHFBS-MRVPVSSYSA-N	243.307	0.958	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCOC2)C1	160987788	XNWJEIABCDMLIJ-OPRDCNLKSA-N	212.293	0.409	70	20	BCID	
CCOCCC(=O)NC(C)(C)[C@@H](C)O	161327164	XKEMUNYWOLEXCI-MRVPVSSYSA-N	203.282	0.689	70	20	BCID	
CC[C@@H](C(=O)N[C@@H]1CCN(C(C)=O)C1)N(C)C	159491908	KTGIFPRLOKKALK-MNOVXSKESA-N	241.335	0.064	70	20	BCID	
COC(C)(C)CNC(=O)N[C@H]1CCOC1	159416420	WTMCZVJXDQOQFK-QMMMGPOBSA-N	216.281	0.500	70	20	BCID	
C[C@H](N)C(=O)NCCC(=O)Nc1ccccc1	160022340	QIJUOAIEHVTPJH-VIFPVBQESA-N	235.287	0.479	70	20	BCID	
CNC[C@@H]1CCCN(C(=O)[C@@H](C)OC)C1	160916331	JJNMMFRDZCPNMA-ZJUUUORDSA-N	214.309	0.479	70	20	BCID	
CCC(CC)[C@H](CNC(=N)N)N1CCOCC1	161489255	YIDVHPWIVSHSBH-NSHDSACASA-N	242.367	0.606	70	20	BCID	
COC(=O)[C@H](C)N[C@@H]1C[C@H](O)C1(C)C	159550541	DQFGRMMGCXTMAV-RNJXMRFFSA-N	201.266	0.297	70	20	BCID	
CC(C)(CCO)NC(=O)c1cnccn1	160770203	VXIOVPXJVHMDRC-UHFFFAOYSA-N	209.249	0.367	70	20	BCID	
CO[C@@H](C)C(=O)N(C)CC[C@H](N)C(C)C	160944361	XIZDQYKMZMMYSW-UWVGGRQHSA-N	216.325	0.853	70	20	BCID	
CCCS(=O)(=O)CCN1CCC(O)CC1	217601209	ASTVLJWEAJJYHU-UHFFFAOYSA-N	235.349	0.268	70	20	BCID	
COC(=O)CCNC(=O)[C@@H]1CCC(=O)C[C@@H]1C	159699331	QWFVBNNKCIZAOG-WCBMZHEXSA-N	241.287	0.671	70	20	BCID	
CN(C[C@H]1CCCCO1)C(=O)N[C@H]1CCOC1	159375777	DENKTWQLHZYAMF-WDEREUQCSA-N	242.319	0.986	70	20	BCID	
Cn1cc(CNC(=O)N[C@@H]2CCOC2)cn1	159391380	ATHFPOPITFOALB-SECBINFHSA-N	224.264	0.008	70	20	BCID	
COCc1nc(C(=O)NC[C@H](C)CO)cs1	160447918	GTRNNGGSGHIHFG-ZETCQYMHSA-N	244.316	0.648	70	20	BCID	
C[C@H](CNC(=O)[C@H]1CCCCN1)C[C@@H](C)O	160567153	RYKUPQFKDGXQPS-HBNTYKKESA-N	228.336	0.652	70	20	BCID	
CN(C)CCN(C)Cc1ccc(CO)o1	161322022	VAFYNEUYIAITCW-UHFFFAOYSA-N	212.293	0.765	70	20	BCID	
CNC(=O)[C@@H](C)NC(=O)c1ccncc1F	161395115	QCEWVJYEBZCBEO-ZCFIWIBFSA-N	225.223	0.085	70	20	BCID	
Cc1cccn(CCS(=O)(=O)F)c1=O	883953163	JYVGDZTZSWWFRP-UHFFFAOYSA-N	219.237	0.456	70	20	BCID	
CC(C)NC(=O)CN1CC[C@H](CCN)C1	160069241	CXIBWCVNIWOKFY-JTQLQIEISA-N	213.325	0.182	70	20	BCID	
Cc1nn(C)cc1C(=O)N(C)[C@H](C)CO	160531701	RQMOPESDBUAONO-SSDOTTSWSA-N	211.265	0.181	70	20	BCID	
CCN(CCCO)C(=O)[C@@H]1CCO[C@@H]1C	161403261	GAIPKTUACAZAEG-NXEZZACHSA-N	215.293	0.642	70	20	BCID	
CN(CCO)C(=O)NCCOc1ccccc1	217303632	MOSIWVJSPCVUIE-UHFFFAOYSA-N	238.287	0.699	70	20	BCID	
CCC[C@H](O)CN[C@H]1CCC[C@@H]1CN	217743543	JLSNINDNEPTXLR-VWYCJHECSA-N	200.326	0.864	70	20	BCID	
COC[C@@H](C)CNC(=O)N[C@@H]1CCOC1	159400419	LTIFDRVPAGIPPH-DTWKUNHWSA-N	216.281	0.357	70	20	BCID	
COCC(C)(C)NC(=O)N[C@@H]1CCOC1	159564334	OOXHIXCZFKBMLW-MRVPVSSYSA-N	216.281	0.500	70	20	BCID	
CCO[C@H](C)C(=O)N[C@@H]1CCN(C(C)=O)C1	159715533	LLMBVYCOHMWNCF-PSASIEDQSA-N	228.292	0.148	70	20	BCID	
Cc1noc(C)c1C[C@H](C)NS(C)(=O)=O	159838430	MORDVTAQHCVSGT-LURJTMIESA-N	232.305	0.772	70	20	BCID	
CC(C)(N)CNC(=O)[C@@H]1CC12CCOCC2	159971542	IXVVXTCRCJZHHK-VIFPVBQESA-N	226.320	0.657	70	20	BCID	
CCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160741372	IYKOJWYUIHHOEN-AXFHLTTASA-N	225.336	0.467	70	20	BCID	
C[C@@H](O)C1CCN(S(=O)(=O)C2CC2)CC1	160850362	PQTQMUFEUJZPHZ-MRVPVSSYSA-N	233.333	0.571	70	20	BCID	
C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)CCCO1	218039382	ZSEASGCVISVXTJ-QMMMGPOBSA-N	237.259	0.021	70	20	BCID	
O=C([C@H]1CCNC1)N1CCO[C@H]2CCC[C@@H]21	218265065	SLQGJQDJMCQXCZ-DCAQKATOSA-N	224.304	0.376	70	20	BCID	
CCOCCCNC(=O)N1CCC[C@](C)(O)C1	159700694	AMMGRVRJPPKZQC-LBPRGKRZSA-N	244.335	0.969	70	20	BCID	
CN1CCC(NC(=O)/C=C/c2cnc[nH]2)CC1	218368749	HBEWSLDKKFIFQG-NSCUHMNNSA-N	234.303	0.633	70	20	BCID	
Cc1c(CS(=O)(=O)Cl)cnn1C	118800498	XSDRDEQHVVYAAC-UHFFFAOYSA-N	208.670	0.797	70	20	BCID	
COC(=O)CCCNC(=O)[C@@H](C(C)C)N(C)C	159621528	QYXPHKLJXACJBB-LLVKDONJSA-N	244.335	0.642	70	20	BCID	
C[C@H](N)C(=O)NCCc1cc(F)ccc1F	159667697	PNKJNLXLNNQYNY-ZETCQYMHSA-N	228.242	0.971	70	20	BCID	
CC[C@](C)(O)CN1CCC[C@H](CNC(C)=O)C1	160716087	CMYJZQPWKDHHNT-OLZOCXBDSA-N	242.363	0.996	70	20	BCID	
COCCCNC(=O)[C@@H](C)S[C@@H](C)CO	160772526	FWWRKAPQJWBLFD-DTWKUNHWSA-N	235.349	0.642	70	20	BCID	
CC[C@H](O)CCNC(=O)N[C@@H]1CCOC1	159547744	WBNZWANYHMWCIY-BDAKNGLRSA-N	216.281	0.236	70	20	BCID	
Cc1nnc(CSCCN2CCOCC2)o1	159844172	JZRRHJDYYMLFCK-UHFFFAOYSA-N	243.332	0.943	70	20	BCID	
C[C@@H](CO)Sc1ncnc2c1cnn2C	160954901	ZRRBRGZDEOOTTN-LURJTMIESA-N	224.289	0.836	70	20	BCID	
COCCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	161384218	FYMJXIPEUHBIQT-QMMMGPOBSA-N	225.292	0.802	70	20	BCID	
C[C@H](N)C(=O)NC[C@@H](O)c1ccsc1	161498963	RVPOMFPBQFVPIX-POYBYMJQSA-N	214.290	0.245	70	20	BCID	
COc1ccc(CNC(=O)N(C)CCO)cc1	217271263	LAZHJHHQLFYWFJ-UHFFFAOYSA-N	238.287	0.829	70	20	BCID	
N[C@H]1CCCCCC[C@@H]1C(=O)N1CCNCC1	159394491	VOCDVMBCZGYFQE-RYUDHWBXSA-N	239.363	0.716	70	20	BCID	
C[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O	159553013	WJKWNVWLWYXCNM-GXSJLCMTSA-N	247.298	0.255	70	20	BCID	
O=C(NC1(CO)CCC1)c1ccncc1	161095951	DPZSLWJOOMAXLS-UHFFFAOYSA-N	206.245	0.726	70	20	BCID	
COC[C@H](O)CCNC(=O)c1ccoc1	161271270	CSEXYPLWGSSDBC-SECBINFHSA-N	213.233	0.407	70	20	BCID	
CC[C@H](C)N1CCN(S(=O)(=O)Cl)CC1	167339085	QLPAVGYNCKOGOE-QMMMGPOBSA-N	240.756	0.886	70	20	BCID	
O=C(C(F)F)N1CCN(C[C@H]2CCCO2)CC1	217642845	FFCGVKZBDBFVNT-SECBINFHSA-N	248.273	0.575	70	20	BCID	
CC(C)(N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	161105305	KGZQSAVTFAMELR-HLTSFMKQSA-N	226.320	0.653	70	20	BCID	
CC(=O)NCCNC(=O)c1cccn1C(C)C	161246100	QKCPGSTYMDMFSW-UHFFFAOYSA-N	237.303	0.935	70	20	BCID	
CCOC(=O)C1(C(=O)N2CCCC2)CC1	218281914	FUTRAUMMGHNCBR-UHFFFAOYSA-N	211.261	0.952	70	20	BCID	
Nc1nc(N)nc(CSc2ccncc2)n1	160035403	ZMXOOFBBVAMULZ-UHFFFAOYSA-N	234.288	0.723	70	20	BCID	
CC[C@@H](CCO)CNC(=O)[C@@H](C)OC	160833644	XIMDZRXHMVENSX-BDAKNGLRSA-N	203.282	0.546	70	20	BCID	
COCCOCCNC(=O)C[C@@H](C)SC	161129933	FHDPTVSQSBTKRX-SECBINFHSA-N	235.349	0.907	70	20	BCID	
COc1cnn(CCS(=O)(=O)F)c1	883953662	FBOMXXGBMKCPSD-UHFFFAOYSA-N	208.214	0.191	70	20	BCID	
COCCOC[C@@H](C)CS(=O)(=O)Cl	112159560	IKLPBGYDSWLXSL-SSDOTTSWSA-N	230.713	0.854	70	20	BCID	
C[C@@H](Sc1ccccn1)C(=O)NCCO	159438849	VJLDGZUMGDWWMR-MRVPVSSYSA-N	226.301	0.671	70	20	BCID	
COCC1CCN(C(=O)N[C@@H]2CCOC2)CC1	159471659	FASZTCLEJQSVKU-LLVKDONJSA-N	242.319	0.843	70	20	BCID	
CCOC[C@H](O)CN[C@@H]1CCCSC1	161271312	AJEAVUNBJPWJSV-NXEZZACHSA-N	219.350	0.869	70	20	BCID	
CC(=O)NCCCNC(=O)c1ccccc1N	161383626	VSQQTEDLBDGCGG-UHFFFAOYSA-N	235.287	0.525	70	20	BCID	
CN(C)CC1CCN(S(=O)(=O)Cl)CC1	167340365	JXMUPMWHVSPLNP-UHFFFAOYSA-N	240.756	0.744	70	20	BCID	
CC(C)C1(O)CN(C(=O)/C=C\c2cnn(C)c2)C1	216965872	JBWJSBXLEQCSJB-PLNGDYQASA-N	249.314	0.663	70	20	BCID	
CC[C@H](C)[C@@H](O)CNC(=O)[C@H](N)CCSC	159820153	ZJCKRIDUGOEVPG-AEJSXWLSSA-N	248.392	0.590	70	20	BCID	
CNC[C@H](C)C(=O)N(C)CCSC	160000911	AYNODFAISFFRBB-QMMMGPOBSA-N	204.339	0.663	70	20	BCID	
CN(C[C@@H](O)C1CC1)[C@H](C(N)=O)c1ccccc1	160777248	KMABIOYLOGHSNV-OLZOCXBDSA-N	248.326	0.916	70	20	BCID	
C[C@@H](CO)N(C)S(=O)(=O)c1ccccn1	161300507	BMQWGFJYAXYSIN-QMMMGPOBSA-N	230.289	0.083	70	20	BCID	
CC[C@H](CO)N1CCN(C[C@@](C)(O)CC)CC1	161303215	MRFBBBVICKURLR-OLZOCXBDSA-N	244.379	0.536	70	20	BCID	
C[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C(F)F)O1	218062473	XVBAFHABGYLBNO-FSDSQADBSA-N	223.219	0.296	70	20	BCID	
CCCN(C)S(=O)(=O)NC[C@@](C)(O)CC	160300326	FTQQUYHTYUUTPY-VIFPVBQESA-N	238.353	0.324	70	20	BCID	
CCOC(=O)[C@@H](C)CNC(=O)CCCN	160803343	KBDAECCHYLFJLT-QMMMGPOBSA-N	216.281	0.041	70	20	BCID	
OCCCN1CCN(c2ccncc2)CC1	161343321	MSHMLGJTEUIJQO-UHFFFAOYSA-N	221.304	0.586	70	20	BCID	
CCCc1nnc(S(=O)(=O)Cl)n1C	133421792	GDNLRCGOCPQPDH-UHFFFAOYSA-N	223.685	0.695	70	20	BCID	
COC1CCN(C(=O)N[C@H]2CCOC2)CC1	159457940	ZWCZKLINBBBAGF-VIFPVBQESA-N	228.292	0.596	70	20	BCID	
CCC1(CNC(=O)[C@@H]2CSCN2)CC1	159631786	XKMNJXWTMIXVTI-QMMMGPOBSA-N	214.334	0.955	70	20	BCID	
CN1CC[C@@H](SCCN2CCOCC2)C1=O	159889989	UTFLPHIEKASHFW-SNVBAGLBSA-N	244.360	0.283	70	20	BCID	
COC(=O)CCN1CC[C@@H]([C@@H](C)O)C1	161210574	JHTXTLRFIMOFHP-RKDXNWHRSA-N	201.266	0.252	70	20	BCID	
CN(C)CC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	159392221	AMJMYGJKMJBYRP-GHMZBOCLSA-N	226.320	0.622	70	20	BCID	
CCc1nc(CN2CCC[C@H](C)[C@@H]2CO)n[nH]1	159442354	STXKMFUYFXRSMM-UWVGGRQHSA-N	238.335	0.960	70	20	BCID	
CSCCN(C)C(=O)[C@H]1CCN[C@@H]1C	160010181	FHATUBGYWJAANV-BDAKNGLRSA-N	216.350	0.806	70	20	BCID	
C[C@@H]1NCCC[C@H]1NC(=O)c1csnn1	160539963	POKZLJZDDHLTOD-NKWVEPMBSA-N	226.305	0.408	70	20	BCID	
C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCc2ncnn2C1	161073008	OHTHCQZEGHHMEC-HLTSFMKQSA-N	235.291	0.301	70	20	BCID	
CC[C@@H](CCO)NC(=O)Cc1cnn(C)c1	159396771	SZXJVWCCMDYQAF-JTQLQIEISA-N	225.292	0.240	70	20	BCID	
CCC(CC)c1cc(C(=O)NCC(N)=O)on1	159842416	IBKLZBIPXVNNEB-UHFFFAOYSA-N	239.275	0.793	70	20	BCID	
CCCNS(=O)(=O)NC1CCC(N)CC1	160469862	DVOSUANXPNOJPP-UHFFFAOYSA-N	235.353	0.090	70	20	BCID	
C[C@H](O)CCNC(=O)[C@@H]1CC[C@@H](C)O1	217823634	MKHYSUVTWNDERA-YIZRAAEISA-N	201.266	0.441	70	20	BCID	
CCN(CC(=O)N[C@@H](CO)CC(C)C)C1CC1	160844038	AVFKHEWGJFGIOJ-LLVKDONJSA-N	242.363	0.994	70	20	BCID	
CC1(C)NC(=O)N(Cc2nccs2)C1=O	161130267	QFRLEWDGAVIIRB-UHFFFAOYSA-N	225.273	0.974	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2)C1	161415214	NECALYFIFRQPRB-UTLUCORTSA-N	211.309	0.125	70	20	BCID	
CC(C)CC[C@@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1	218367335	MKUMHUIDSKUTFG-MXWKQRLJSA-N	228.336	0.650	70	20	BCID	
CC(C)N1CC[C@@H](N(C)C[C@@H](C)O)C1=O	159398511	JRPKFBNPQSMOOR-NXEZZACHSA-N	214.309	0.308	70	20	BCID	
CN(Cc1ncnn1C)C[C@H]1CCC[C@@H]1O	159552515	AZJXBGLGRACADS-ZJUUUORDSA-N	224.308	0.408	70	20	BCID	
COC[C@@H](C)NCCCN1CCCC1=O	159580249	XYNKADOPOAMPCF-SNVBAGLBSA-N	214.309	0.623	70	20	BCID	
NC1(CNC(=O)CNCC2CC2)CCCCC1	159625307	LLSVTRFHUMGWIE-UHFFFAOYSA-N	239.363	0.764	70	20	BCID	
CCN(CCCO)C(=O)[C@H]1CCO[C@H]1C	161403662	GAIPKTUACAZAEG-UWVGGRQHSA-N	215.293	0.642	70	20	BCID	
CO[C@@]1(CN2CC[C@H](CO)C2)CCOC1	159371691	WKQCANUBMBQHAM-WDEREUQCSA-N	215.293	0.106	70	20	BCID	
O=C1CN(Cc2ccc3cn[nH]c3c2)CCN1	160489302	NOLBHZJPDHIYJI-UHFFFAOYSA-N	230.271	0.495	70	20	BCID	
CO[C@@H](C)C(=O)NCCCCN(C)C	160565210	FPNYTKVRGBNSBS-VIFPVBQESA-N	202.298	0.479	70	20	BCID	
CN1C[C@H](C(=O)N(C)Cc2cccn2C)CC1=O	160963075	FCURUZDCIMHFHV-SNVBAGLBSA-N	249.314	0.462	70	20	BCID	
CCOC[C@@H](O)CN1CCC[C@@](C)(O)C1	160990390	LDCHOWFXIYXCSL-WDEREUQCSA-N	217.309	0.231	70	20	BCID	
CCOC(=O)[C@H](NC(=O)CNC)[C@@H](C)CC	161505771	HFVDFOBZRQTXGU-WCBMZHEXSA-N	230.308	0.300	70	20	BCID	
CCNS(=O)(=O)N[C@H]1CC[C@H](C)C1	160463729	ZRELBRHFRCOXEO-YUMQZZPRSA-N	206.311	0.619	70	20	BCID	
CCc1cc(O)nc(CN2CCOCC2)n1	160472329	KWHBBKIWBHLNSE-UHFFFAOYSA-N	223.276	0.577	70	20	BCID	
O=S(=O)(F)CCN1CCOc2ncccc21	883954678	WEIXWWPGUCFQSO-UHFFFAOYSA-N	246.263	0.580	70	20	BCID	
C[C@@H](CNC(=O)N[C@@H]1CCOC1)N(C)C	159535642	KSXHEMDXQUAWTH-DTWKUNHWSA-N	215.297	0.025	70	20	BCID	
CO[C@@H](C)C(=O)NC[C@@]1(C)CCCNC1	159972942	VTGBIAZSLQPOMX-ONGXEEELSA-N	214.309	0.527	70	20	BCID	
CC(C)(N)CNC(=O)CC[C@@H]1CCOC1	160052376	ZWZUWTQGHAIAEE-SECBINFHSA-N	214.309	0.657	70	20	BCID	
CCOC(=O)N1CC[C@H](NC(C)=O)C1	160359002	TUBXFTRQFGSMKK-QMMMGPOBSA-N	200.238	0.353	70	20	BCID	
Cn1nccc1CSc1nnnn1C	161204124	JXPWLRGZQBKENL-UHFFFAOYSA-N	210.266	0.236	70	20	BCID	
O=S(=O)(F)CCn1nnc2c1CCCC2	883953751	JYGIYRXWNMBLRW-UHFFFAOYSA-N	233.268	0.456	70	20	BCID	
CCOC1CCN(C(=O)N[C@H]2CCOC2)CC1	159377157	CAUOAPSXDCIHBB-JTQLQIEISA-N	242.319	0.986	70	20	BCID	
CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1	160223814	ZVTUKWRQIUAREC-WCABBAIRSA-N	245.344	0.726	70	20	BCID	
Cn1ccc(CN2CCC[C@](C)(O)C2)n1	161290553	JSBIAVVAXIRRIR-NSHDSACASA-N	209.293	0.767	70	20	BCID	
COCCC1(C(=O)N2CCNCC2)CCC1	159426563	LGNMTSSGHXKJCG-UHFFFAOYSA-N	226.320	0.625	70	20	BCID	
Cc1c(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)cnn1C	159773450	CUUUDPHLACZLTI-PHIMTYICSA-N	248.330	0.695	70	20	BCID	
CN1CCC(NC(=O)N[C@H]2CCOC2)CC1	159420251	WNVMFLPFLNMELD-JTQLQIEISA-N	227.308	0.169	70	20	BCID	
CC(C)CCN(C)C(=O)C1(NC(N)=O)CC1	159809959	NHKUBVGVUOMVCH-UHFFFAOYSA-N	227.308	0.692	70	20	BCID	
CCOC(=O)CN1CCN(c2ccncc2)CC1	161285236	YIXNFJKOQZZUCN-UHFFFAOYSA-N	249.314	0.767	70	20	BCID	
CN1CCC[C@@H]1CNCc1cncn1C	218140769	SUIIPSABSFOAQF-SNVBAGLBSA-N	208.309	0.604	70	20	BCID	
CCC(N)(CC)CNC(=O)C[C@@H]1CCCN1	160536877	HSVAQAYQXMDYJE-JTQLQIEISA-N	227.352	0.762	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)c1cc[nH]n1	160622029	SQNGKINGEOGGCK-ZETCQYMHSA-N	225.248	0.481	70	20	BCID	
CCC(N)(CC)CNS(=O)(=O)NC(C)C	160941531	PPDKSSCZEMAADA-UHFFFAOYSA-N	237.369	0.336	70	20	BCID	
CCCN(C)S(=O)(=O)N1CCC[C@H]1CO	159844917	MQZJPROTBBGBPH-VIFPVBQESA-N	236.337	0.030	70	20	BCID	
CCCC(=O)N1CC[C@H](OC)C[C@@H]1CN	161044734	GIWYQHYNXJYMKF-ZJUUUORDSA-N	214.309	0.751	70	20	BCID	
Cc1ocnc1C(=O)N[C@H]1CCC[C@H](N)C1	161067461	XVQLCQQGKNOHBG-IUCAKERBSA-N	223.276	0.983	70	20	BCID	
CSC[C@](C)(O)CNC(=O)N1CCCC1	217906588	TXVARJRUVNHFTO-SNVBAGLBSA-N	232.349	0.906	70	20	BCID	
Cc1cc(CNC(=O)N[C@H]2CCOC2)no1	159394535	OSTVWTWTXCSXCO-QMMMGPOBSA-N	225.248	0.571	70	20	BCID	
CNC(=O)c1csc(S(C)(=O)=O)c1	160002080	SLAUAUYIUPSWLO-UHFFFAOYSA-N	219.287	0.511	70	20	BCID	
CCc1nc(CN2C[C@H](C)O[C@H](C)C2)n[nH]1	160653718	RUKURDOWJOUHPL-DTORHVGOSA-N	224.308	0.976	70	20	BCID	
COC(=O)[C@H]1CCCN1C[C@@H](C)CO	160944645	YNCZDGOVBCHUPZ-RKDXNWHRSA-N	201.266	0.252	70	20	BCID	
CC/C=C(\C)C(=O)NC[C@@H](O)COC	217129944	MXSVUQOZYAZMJM-WHXYTISESA-N	201.266	0.466	70	20	BCID	
CCc1ccc(CC(=O)NCC(N)=O)cc1	159841795	BESAIFRXTIMWDI-UHFFFAOYSA-N	220.272	0.393	70	20	BCID	
CC(C)(C)NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	160241950	QRJCJNOMNQGZQM-JGVFFNPUSA-N	243.307	0.117	70	20	BCID	
C[C@@H](C(=O)N[C@H]1CCC[C@H](N)C1)N(C)C	161193630	RDTJTLJIZMDPGV-GUBZILKMSA-N	213.325	0.323	70	20	BCID	
CC(C)C[C@@H](CNC(=N)N)N1CCOCC1	161468822	GCIQXTXCYNEHDE-JTQLQIEISA-N	228.340	0.216	70	20	BCID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC1	1355135532	LEIMDFTWQINRFB-UHFFFAOYSA-N	248.235	0.103	70	20	BCID	
C[C@@H](O)[C@@H]1CCN(CCCCCO)C1	159425870	IIQJUYHECVVMDI-GHMZBOCLSA-N	201.310	0.852	70	20	BCID	
Cc1ncoc1C(=O)N1CCC[C@@H]1CO	159509768	PTTDEUNIAXLQHN-MRVPVSSYSA-N	210.233	0.580	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)CCn2cccn2)C1	161437141	MHYPHLCIPPLHJG-GHMZBOCLSA-N	236.319	0.659	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)CC2CC2)C1	159711319	KRGXDBZQQPZUHJ-JTQLQIEISA-N	210.277	0.524	70	20	BCID	
C[C@H]1NCCC[C@@H]1NC(=O)c1ccon1	160535788	CEEITNOTOWDMFU-SFYZADRCSA-N	209.249	0.545	70	20	BCID	
CCOCCC(=O)NC(C)(C)CCO	160780519	XVIXBLBJGPUNAZ-UHFFFAOYSA-N	203.282	0.690	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@H](C)OCC1CC1	161287973	COQGBPZGWLCIAT-GXSJLCMTSA-N	245.319	0.315	70	20	BCID	
CSC[C@](C)(O)CNC(=O)c1cncs1	217696250	AFKLMYBLGPFVBZ-SECBINFHSA-N	246.357	0.987	70	20	BCID	
O=c1c2ccoc2ccn1CCS(=O)(=O)F	883953479	WYZSDAUTKJHAJC-UHFFFAOYSA-N	245.231	0.894	70	20	BCID	
Cc1nc(CN(C)C[C@@H]2CCC[C@@H]2O)no1	159565363	VFEWCKWUBHWCQP-UWVGGRQHSA-N	225.292	0.971	70	20	BCID	
Cc1noc(Cl)c1CC(=O)Nc1nnc[nH]1	160581328	DCOCVQDCVGDPOI-UHFFFAOYSA-N	241.638	0.936	70	20	BCID	
COC[C@H]1CCN(C(=O)[C@H](C)OC)C1	160642800	BRQCRONFWPOYQY-IUCAKERBSA-N	201.266	0.516	70	20	BCID	
Cn1nccc1C(=O)NC(C)(C)CCO	160770870	BINOSDAKBYSVID-UHFFFAOYSA-N	211.265	0.311	70	20	BCID	
Cc1nonc1CN1CCC[C@](C)(O)C1	161015661	REJLWRHXPKTBTL-JTQLQIEISA-N	211.265	0.725	70	20	BCID	
C[C@@H](C(=O)Nc1ncccn1)N(C)C[C@@H](C)O	159405236	ORXPJGRJGYIWJW-BDAKNGLRSA-N	238.291	0.116	70	20	BCID	
C[C@@H](C[C@@H](C)O)NC(=O)c1ccnnc1	159766527	RRAXAYOTJCBTOZ-JGVFFNPUSA-N	209.249	0.366	70	20	BCID	
CC[C@H](C)OCC(=O)N(C)C[C@H](C)C(=O)NC	160413145	GLQODIMQTSHYPW-UWVGGRQHSA-N	244.335	0.642	70	20	BCID	
CO[C@@H](C)C(=O)NCC1(O)CCCC1	160626763	AEFRJMFNVPZDRK-QMMMGPOBSA-N	201.266	0.443	70	20	BCID	
CN1CC[C@H](CNC(=O)c2cccc(=O)n2C)C1	160655738	GCLNKQJDDKEIHH-SNVBAGLBSA-N	249.314	0.067	70	20	BCID	
CNC(=O)C(C)(C)CNc1nccc(OC)n1	161066671	PLIIGZROSSGQGZ-UHFFFAOYSA-N	238.291	0.669	70	20	BCID	
CN(C)CCCNC(=O)c1ccncc1F	161422171	CORXKTBUJIECNA-UHFFFAOYSA-N	225.267	0.902	70	20	BCID	
COC(=O)[C@@H]1CSCCN1C(C)=O	217069535	LOWKGCFMBSAXFX-ZETCQYMHSA-N	203.263	0.123	70	20	BCID	
COC(=O)[C@@H]1CCCCN1C(=O)CN(C)C	218032210	ZOKDLBCSZJCBHS-VIFPVBQESA-N	228.292	0.102	70	20	BCID	
CCCN(CCO)C(=O)c1ocnc1C	159510189	IPBHFWCMHNSCEI-UHFFFAOYSA-N	212.249	0.828	70	20	BCID	
CCOCC(=O)N1CC[C@@H]([C@H](C)N)C1	159514338	MVHUFIKVNDFJAB-DTWKUNHWSA-N	200.282	0.219	70	20	BCID	
CCOC(=O)[C@H](N)C(=O)NCC(C)(C)C	160077222	QTOPDMKTLDRVCV-SSDOTTSWSA-N	216.281	0.039	70	20	BCID	
Cc1nn(C)cc1C(=O)N(C)[C@@H](C)CO	160531594	RQMOPESDBUAONO-ZETCQYMHSA-N	211.265	0.181	70	20	BCID	
CCO[C@@H](C)C(=O)N[C@@H](CCO)C(C)C	160726696	MMYWOVJKAWQNSG-UWVGGRQHSA-N	217.309	0.935	70	20	BCID	
CC(C)S(=O)(=O)CC(=O)NC1CC=CC1	160774069	FAMNFABMVXZFSV-UHFFFAOYSA-N	231.317	0.644	70	20	BCID	
CCOCCN(C)C(=S)N[C@H](C)COC	161485541	IXNINCMHRDDJBM-SECBINFHSA-N	234.365	0.864	70	20	BCID	
C[C@@H]1CN(C(=O)N[C@H]2CCOC2)CCCO1	159544855	IWWXSFUXSXIGPK-ZJUUUORDSA-N	228.292	0.596	70	20	BCID	
C[C@H]1CN(C(=O)N[C@H]2CCOC2)CCCO1	159544991	IWWXSFUXSXIGPK-UWVGGRQHSA-N	228.292	0.596	70	20	BCID	
CCNC(=S)N1CCN(CC)[C@@H](C)C1	159745409	GXRLTZBMFMJLSD-VIFPVBQESA-N	215.366	0.907	70	20	BCID	
CS[C@@H](C)CNC(=O)N[C@@H]1C=C[C@H](CO)C1	159920666	PTHHYXRVEICDPO-LPEHRKFASA-N	244.360	0.974	70	20	BCID	
COc1cccnc1N1CC[C@H](CO)C1	160308144	BKYPVJOFFSIUQQ-VIFPVBQESA-N	208.261	0.909	70	20	BCID	
CCC(CC)(CN)C(=O)N[C@H]1CCNC1	161158786	DIDKUVXSDDNAOA-VIFPVBQESA-N	213.325	0.230	70	20	BCID	
C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)CCCO1	159544628	IWWXSFUXSXIGPK-NXEZZACHSA-N	228.292	0.596	70	20	BCID	
CCN(CCCO)C(=O)CCCOC	160293959	NDVZPISPALDEMO-UHFFFAOYSA-N	203.282	0.644	70	20	BCID	
COC[C@H](O)CCNC(=O)C1=C(C)OCCC1	160876151	IWTMNDKTTUILEV-SNVBAGLBSA-N	243.303	0.584	70	20	BCID	
CNC[C@H]1CCCN1C(=O)Cc1ccn[nH]1	161233556	IFOQSNZRVGMOTC-SNVBAGLBSA-N	222.292	0.163	70	20	BCID	
COCCCC(=O)N[C@@H]1CCC[C@H](N)C1	161499055	XKPSVUATJPUFGX-VHSXEESVSA-N	214.309	0.799	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)c1ccnn1C	160318781	PBMCWPSNIOCVSY-QMMMGPOBSA-N	239.275	0.492	70	20	BCID	
CC1(NC(=O)c2ccon2)CCNCC1	160572842	JGMLROIWHAFNOM-UHFFFAOYSA-N	209.249	0.547	70	20	BCID	
COC[C@@H](C)NCCCCN1CCC[C@@H]1CO	160762179	XWAUDGMAQPQILP-CHWSQXEVSA-N	244.379	0.848	70	20	BCID	
C[C@H](CO)SCC(=O)NC(=O)NC1CC1	160770968	ATZWNCRDVCPKDE-ZCFIWIBFSA-N	232.305	0.089	70	20	BCID	
C[C@@]1(O)CCCN(CCn2cccn2)C1	160999378	CSADOLVBVQPPCA-LLVKDONJSA-N	209.293	0.730	70	20	BCID	
CC(=O)NCCCNC(=O)[C@@]1(C)CCCNC1	161384047	HRBAHAJQBMVNDL-LBPRGKRZSA-N	241.335	0.019	70	20	BCID	
O=S(=O)(Cl)C[C@H](F)[C@H]1CCOC1	1537958746	IMKFSZBVZLYXTA-WDSKDSINSA-N	216.661	0.930	70	20	BCID	
Cc1ccc2nc(S(=O)(=O)Cl)nn2c1	100635054	KECYNGBGFOZWMW-UHFFFAOYSA-N	231.664	0.965	70	20	BCID	
O=C(NCc1ccoc1)N[C@@H]1CCOC1	159394146	RILUWAZLNCBWNI-SECBINFHSA-N	210.233	0.868	70	20	BCID	
CC(C)(C)OC(=O)CCN1CC[C@H](O)C1	159613695	GQWMSZZWGQBQES-VIFPVBQESA-N	215.293	0.785	70	20	BCID	
CCOC(=O)NCCC(=O)N1CCC[C@@H]1CN	160318018	JBYCRCSBZBASRX-SECBINFHSA-N	243.307	0.072	70	20	BCID	
CO[C@@H]1COCC[C@@H]1S(=O)(=O)Cl	306385344	FVTGPJYFSQGAIZ-RITPCOANSA-N	214.670	0.359	70	20	BCID	
CN(Cc1cnn(C)c1)C(=O)N[C@H]1CCOC1	159365951	PYBOTOYVNUGARJ-JTQLQIEISA-N	238.291	0.350	70	20	BCID	
CC(C)[C@@H](O)CCNC(=O)[C@H]1CSCN1	160896587	UNEVYBZBLUOXHS-BDAKNGLRSA-N	232.349	0.172	70	20	BCID	
Cc1c(CS(=O)(=O)Cl)nnn1C	215499569	CYMHUMXQQWQGEV-UHFFFAOYSA-N	209.658	0.192	70	20	BCID	
CCCO[C@H]1CCCN(C(=O)CN)CC1	159470096	LWFBTWUBBWWPPD-JTQLQIEISA-N	214.309	0.753	70	20	BCID	
CCc1nc(CN2CC[C@@H](C)[C@H](O)C2)n[nH]1	160248575	MFCVHEJNDWOIIW-RKDXNWHRSA-N	224.308	0.570	70	20	BCID	
CC(C)N1C[C@H](NC(=O)N2CCCC2)CC1=O	217288416	LRZVDSHXYXYTOY-SNVBAGLBSA-N	239.319	0.801	70	20	BCID	
C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O	159553678	WJKWNVWLWYXCNM-MWLCHTKSSA-N	247.298	0.255	70	20	BCID	
CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1CCOC1	160668906	CSGMGVPDMLKQAH-MNOVXSKESA-N	241.335	0.511	70	20	BCID	
CSCC[C@@H](N)C(=O)N(C)CC[C@H](C)O	160923491	AXCVCDRPBBYFFB-DTWKUNHWSA-N	234.365	0.296	70	20	BCID	
C[C@H](O)[C@@H]1CCN(CCCCCO)C1	159425725	IIQJUYHECVVMDI-WDEREUQCSA-N	201.310	0.852	70	20	BCID	
CCC[C@@H](O)CNC(=O)[C@@H](CC)N(C)C	160421514	OWYDQPQDRFVCQZ-NXEZZACHSA-N	216.325	0.604	70	20	BCID	
C[C@@H](CC(=O)N(C)C)NCC(C)(C)O	160633251	HGRMPAMZFBRILL-QMMMGPOBSA-N	202.298	0.214	70	20	BCID	
CO[C@@H](C)C(=O)N1CCC[C@H](CCO)C1	160960790	DNEWVWRXZSUOKR-VHSXEESVSA-N	215.293	0.642	70	20	BCID	
CCO[C@@H](C)C(=O)N(CC(N)=O)CC(C)C	159717132	LGHGUKGXIFUDBF-VIFPVBQESA-N	230.308	0.381	70	20	BCID	
COC[C@@H](NC(=O)N[C@@H](C)CCO)C1CC1	160203133	LNIRETCCVCVHTB-WCBMZHEXSA-N	230.308	0.482	70	20	BCID	
CCN(CCCO)[C@H](C)C(=O)N(C)C	160725623	YLHQHFNPDDRNOD-SECBINFHSA-N	202.298	0.167	70	20	BCID	
COC[C@H](O)CCNC(=O)C1(O)CCCCC1	161110696	CBUAHSWVWJOLEP-SNVBAGLBSA-N	245.319	0.195	70	20	BCID	
COC[C@@H](NC(=O)N[C@H]1CCOC1)C(C)C	159414459	NFMRDHAFMWLZKL-VHSXEESVSA-N	230.308	0.746	70	20	BCID	
O=C(N[C@@H]1CCOC1)N1CCSCC1	159437916	GKZGALBCOYTYNR-MRVPVSSYSA-N	216.306	0.534	70	20	BCID	
CCc1nn(C)c(Cl)c1C(=O)N(C)CCO	159814379	PLFWQKZSLIIGEB-UHFFFAOYSA-N	245.710	0.700	70	20	BCID	
CCC(=O)NCC1CCN(CCO)CC1	160560656	LHLNZUBPNSJEKK-UHFFFAOYSA-N	214.309	0.217	70	20	BCID	
O=C(N[C@H]1CCC[C@@H]1O)[C@@H]1CCCCO1	161036602	QPCVAFNTZOOSRO-GUBZILKMSA-N	213.277	0.585	70	20	BCID	
O=C(NC[C@]1(O)CCSC1)[C@H]1CCCCO1	159900996	JUKIPTKBKITNPL-MWLCHTKSSA-N	245.344	0.540	70	20	BCID	
CC(C)NS(=O)(=O)N1CC[C@@H](N)C[C@H]1C	160948391	UAZPDBPLLUPWMU-RKDXNWHRSA-N	235.353	0.041	70	20	BCID	
C[C@H]1CCC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1	159455487	RPVMTAQPOIFYOV-DTWKUNHWSA-N	239.319	0.882	70	20	BCID	
O=c1ncccn1CCOCC(F)(F)F	159717715	JTWFJROUMQNNKT-UHFFFAOYSA-N	222.166	0.822	70	20	BCID	
CC(=O)N[C@@H](C)C(=O)Nc1cc(C)ns1	159868559	JRDPSJWQLGBRGJ-LURJTMIESA-N	227.289	0.915	70	20	BCID	
CCO[C@@H](C)C(=O)N1CCC[C@H]1CNC	161343247	NHSGDOOBGKWKLF-UWVGGRQHSA-N	214.309	0.622	70	20	BCID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1	159702092	KDCCYDBZUJKOSE-BBBLOLIVSA-N	224.304	0.960	70	20	BCID	
CCN(CCCO)C(=O)Cc1cc[nH]n1	160304570	GVDQQBKYILCBRK-UHFFFAOYSA-N	211.265	0.183	70	20	BCID	
CC[C@@H](COC)NS(=O)(=O)[C@@H](C)COC	160324641	VHHYPNWYFPVEBT-IUCAKERBSA-N	239.337	0.366	70	20	BCID	
COCCCNC(=O)[C@H](C)S[C@@H](C)CO	160772274	FWWRKAPQJWBLFD-IUCAKERBSA-N	235.349	0.642	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)CN(C)C(C)C	160872676	QYPYFJRVTWNLIO-JTQLQIEISA-N	244.335	0.785	70	20	BCID	
C[C@@H](C(=O)N[C@@H]1CCC[C@@H](N)C1)N(C)C	161193763	RDTJTLJIZMDPGV-IVZWLZJFSA-N	213.325	0.323	70	20	BCID	
C[C@H]1CCC[C@@H](OCC(=O)N2CC(O)C2)C1	161484053	WVQATBYKJHFYPS-GXSJLCMTSA-N	227.304	0.785	70	20	BCID	
CC[C@@H](C)OCC(=O)NC[C@]1(O)CCSC1	160217804	HNRBEOSUTIOBQE-MWLCHTKSSA-N	247.360	0.786	70	20	BCID	
CCCCOCC(=O)NC[C@@H](C)CCO	161028593	FNLMVVZOOTVUTD-JTQLQIEISA-N	217.309	0.938	70	20	BCID	
CNC[C@H]1CCCN1C(=O)/C=C/c1ccnn1C	161341531	VIPZFXIFTDBTKX-BTDICHCPSA-N	248.330	0.644	70	20	BCID	
CC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1	217966034	FIRKEMUNTITUET-AWEZNQCLSA-N	248.326	0.760	70	20	BCID	
CN1CCC(NC(=O)N[C@@H]2CCOC2)CC1	159420114	WNVMFLPFLNMELD-SNVBAGLBSA-N	227.308	0.169	70	20	BCID	
COC(=O)[C@@H](c1cccnc1)N1CC[C@@H](O)C1	159850058	KRJQSLITUKPVSC-GHMZBOCLSA-N	236.271	0.362	70	20	BCID	
CCOCCNC(=O)NCc1cnn(C)c1C	160130394	QYFPDSURUXDVOT-UHFFFAOYSA-N	240.307	0.564	70	20	BCID	
O=S(=O)(NCC(F)(F)F)N1CCCO1	160459278	SCHWJHQPBVENNY-UHFFFAOYSA-N	234.199	0.020	70	20	BCID	
C[C@@H]1NCCC[C@@H]1NC(=O)c1csnn1	160540235	POKZLJZDDHLTOD-BQBZGAKWSA-N	226.305	0.408	70	20	BCID	
CN1CCN(C(=O)N[C@@H]2CCOC2)CC1(C)C	160574268	SGAZXWPVIQEZDA-SNVBAGLBSA-N	241.335	0.511	70	20	BCID	
CN(C)CC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	159391945	AMJMYGJKMJBYRP-MNOVXSKESA-N	226.320	0.622	70	20	BCID	
CCSCCN1CCC[C@@H]1C(=O)NC	159555327	NXJGGCVTTDUPOQ-SECBINFHSA-N	216.350	0.950	70	20	BCID	
NC1(CNC(=O)c2ccc(=O)[nH]c2)CCCCC1	159738366	MSYIKVYOCSOHQF-UHFFFAOYSA-N	249.314	0.766	70	20	BCID	
CCOC(=O)[C@@H](N)C(=O)NC(CC)CC	160035934	MDGYFZRCIGCTEF-QMMMGPOBSA-N	216.281	0.182	70	20	BCID	
OC[C@H](O)CNC/C=C\c1ccccc1	218152909	MTPZYZIVHNJRDE-DJFZKKHWSA-N	207.273	0.643	70	20	BCID	
CCN(CCCO)C(=O)c1cscn1	160309611	QGWMIEHTIPNFPK-UHFFFAOYSA-N	214.290	0.988	70	20	BCID	
CC(C)Oc1ccc(C(=O)N2CC(O)C2)cn1	161407618	DDHYEULDEMADLQ-UHFFFAOYSA-N	236.271	0.686	70	20	BCID	
CCc1ncnc(NCCNC(C)=O)c1F	217956488	RKKDPXLVDYSION-UHFFFAOYSA-N	226.255	0.726	70	20	BCID	
O=C(NOCc1cccnc1)[C@H]1CCCO1	160849782	PRBWVBOWUQBOQS-SNVBAGLBSA-N	222.244	0.808	70	20	BCID	
C[C@@]1(CNC(=O)NC2CC2)CCCNC1	159985296	CADGHFVJRQVVJB-LLVKDONJSA-N	211.309	0.838	70	20	BCID	
C[C@@H]1COC[C@@H](C)N1C(=O)C[C@@H]1CNCCO1	160521041	RMLZSCQDMJJTOM-GMTAPVOTSA-N	242.319	0.001	70	20	BCID	
C[C@@H](CNC(=O)CCCN)N1CCCC1	161015041	DBXWVWOOLABQAJ-JTQLQIEISA-N	213.325	0.326	70	20	BCID	
Cc1cc2c(cc1C)O[C@@H](C(=O)N1CC(O)C1)C2	161471272	FBEJEMSGORSSGM-CYBMUJFWSA-N	247.294	0.810	70	20	BCID	
O=C([C@@H]1CCCOC1)N1C[C@@H]2CCC[C@H](C1)N2	160001060	BTUFQDNFPPJHNO-UTUOFQBUSA-N	238.331	0.766	70	20	BCID	
COCCNC(=S)N[C@@]1(C)CCOC1	160042437	ZODAIEFFTFDBSV-VIFPVBQESA-N	218.322	0.276	70	20	BCID	
CCC(CC)(CN)NC(=O)[C@H](C)OC	160933759	DECYTRGJGDGJQU-QMMMGPOBSA-N	202.298	0.655	70	20	BCID	
COC1(CNC(=O)NC(C)C)CCOCC1	160941897	FJEXKZIVERZEID-UHFFFAOYSA-N	230.308	0.890	70	20	BCID	
CN[C@@H]1CCCN(C(=O)[C@@]2(C)CCCNC2)C1	161274210	ULTGIACXHYDPEP-YPMHNXCESA-N	239.363	0.587	70	20	BCID	
CC[C@@H]1CO[C@@H](C)CN1C(=O)COCCOC	218070487	OMKPGBLRWYTMKO-WDEREUQCSA-N	245.319	0.675	70	20	BCID	
CN(C[C@@H]1CCCCO1)C(=O)N[C@@H]1CCOC1	159375329	DENKTWQLHZYAMF-MNOVXSKESA-N	242.319	0.986	70	20	BCID	
CS[C@H](C)CNC(=O)N[C@H]1CCOC1	159431669	NYQTXLJFHNVWLM-SFYZADRCSA-N	218.322	0.826	70	20	BCID	
CC[C@@H](C)OCC(=O)NC[C@@]1(O)CCSC1	160218095	HNRBEOSUTIOBQE-KOLCDFICSA-N	247.360	0.786	70	20	BCID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(=O)n(C)n1	161411799	ONDPJUOSVSYKMY-RKDXNWHRSA-N	235.287	0.793	70	20	BCID	
CC[C@H](CCO)NC(=O)N[C@@H](COC)C1CC1	160280434	VHHNEPLLKCXMNC-MNOVXSKESA-N	244.335	0.872	70	20	BCID	
CC(C)C[C@H](CO)NC(=O)c1cocn1	160948415	IBKGDDMTCPGVQL-MRVPVSSYSA-N	212.249	0.811	70	20	BCID	
CCCN(C[C@H](O)CO)CC(F)(F)F	216753890	DLDJZUVRFZRQPI-ZETCQYMHSA-N	215.215	0.614	70	20	BCID	
CN(CC(=O)Nc1nnc[nH]1)[C@@H]1CCSC1	159813993	SDAFOKDDZIJOAX-SSDOTTSWSA-N	241.320	0.181	70	20	BCID	
COCC(=O)NCC1(C)CCNCC1	159974584	ADNONDOJGRLPQX-UHFFFAOYSA-N	200.282	0.139	70	20	BCID	
C1CO[C@@H](CN2CCC3(C2)OCCO3)C1	160710049	NKJAABUPWCBBLK-SNVBAGLBSA-N	213.277	0.614	70	20	BCID	
O=C(c1ccccc1)N1CC(S(=O)(=O)F)C1	675065328	FTSOQRYXNQNBGC-UHFFFAOYSA-N	243.259	0.810	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)COCC1CC1	160073371	WCIABFLHUDDVFY-VIFPVBQESA-N	243.303	0.871	70	20	BCID	
O[C@@H]1CCN(CCCN2CCCCC2)C1	160917883	ITEFNJCVSXUXFV-GFCCVEGCSA-N	212.337	0.929	70	20	BCID	
CC1(NC(=O)c2cn[nH]c2)CCOCC1	159472181	ICCVUCKESPLIHA-UHFFFAOYSA-N	209.249	0.709	70	20	BCID	
CCc1[nH]nc(NC(=O)[C@@H](C)NC(C)=O)c1C	159741497	FHPMJXCFJGXDEU-SSDOTTSWSA-N	238.291	0.744	70	20	BCID	
CN(C)S(=O)(=O)NCC1(C2CC2)CC1	160155968	KQUZPLILVSTQBD-UHFFFAOYSA-N	218.322	0.573	70	20	BCID	
O=C([C@H]1CSCN1)N1C[C@H]2CCC[C@@H]2C1	160362028	WXMGHXQOYUSQCT-OPRDCNLKSA-N	226.345	0.907	70	20	BCID	
CSC[C@@H](C)C(=O)N(C)[C@@H](C)CO	160448720	UTUVFPBBKIEGQL-SFYZADRCSA-N	205.323	0.825	70	20	BCID	
COC(=O)NCCC(=O)N[C@@H](CCO)C(C)C	160462518	AXFUBAXNUWOSLM-VIFPVBQESA-N	246.307	0.256	70	20	BCID	
CC(C)(C)OC(=O)N[C@@H](CNC(N)=O)C1CC1	160760933	SDTKLFSUDJHFBS-QMMMGPOBSA-N	243.307	0.958	70	20	BCID	
Cc1ncc(CS(=O)(=O)Cl)cn1	103595424	BTEKOZZSTKKENC-UHFFFAOYSA-N	206.654	0.854	70	20	BCID	
C[C@H]1CN(S(=O)(=O)Cl)CCCO1	108586187	RRCODHHZPNRBLA-LURJTMIESA-N	213.686	0.581	70	20	BCID	
CNC(=O)[C@H]1CCCN1CCOCC1CC1	159555150	FKPLXZMYAPUVGH-LLVKDONJSA-N	226.320	0.623	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)c1cccn1C	159743908	CBLRSLSTPVHCBA-UHFFFAOYSA-N	237.303	0.609	70	20	BCID	
C[C@H](CCO)Nc1nccc(N(C)C)n1	160657483	NROAALLSPVTVFT-MRVPVSSYSA-N	210.281	0.725	70	20	BCID	
CC[C@@H](CCO)NC(=O)C[C@@H](C)COC	160122492	PQAJAJDEAPZERP-ZJUUUORDSA-N	217.309	0.936	70	20	BCID	
CCOC(=O)[C@@H](NC(=O)CNC)[C@@H](C)CC	161505560	HFVDFOBZRQTXGU-WPRPVWTQSA-N	230.308	0.300	70	20	BCID	
CN(CCC(F)(F)F)C(=O)c1ccc(=O)[nH]n1	218023134	OREGBDUTIYWRBK-UHFFFAOYSA-N	249.192	0.794	70	20	BCID	
COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)Cl	100488704	AXFYZSWSTCZCQT-NTSWFWBYSA-N	226.681	0.897	70	20	BCID	in-vitro
COCCC(=O)N1CC[C@H]([C@@H](C)O)C1	159419552	IHZUKAAARMCEFG-BDAKNGLRSA-N	201.266	0.252	70	20	BCID	
C[C@]1(NC(=S)NC2CC2)CCOC1	160041463	AWRKJWJCGARUCI-VIFPVBQESA-N	200.307	0.792	70	20	BCID	
CCOC(=O)[C@@H](NC(=O)CNC)[C@H](C)CC	161505442	HFVDFOBZRQTXGU-SCZZXKLOSA-N	230.308	0.300	70	20	BCID	
C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1121185826	BSOWITUVCHMXSB-YFKPBYRVSA-N	245.235	0.315	70	20	BCID	
CC[C@@H](C)[C@H](C)NC(=O)CN(C)C(=O)COC	159779712	YRCFGEYTGKHJBB-ZJUUUORDSA-N	244.335	0.642	70	20	BCID	
CCc1nc(CN[C@H](CO)C(C)C)n[nH]1	160737957	LJWLSJAHLCQEHO-MRVPVSSYSA-N	212.297	0.474	70	20	BCID	
C[C@H](CO)SCC(=O)NCC1CC1	160751000	ZJGLHSYPIVQUOH-SSDOTTSWSA-N	203.307	0.627	70	20	BCID	
O=C([C@@H]1CCCS1)N1CC[C@@H]2CNC[C@@H]21	216991021	QSRVSHRWHOYYBP-UTLUCORTSA-N	226.345	0.702	70	20	BCID	
CCC[C@H](O)CNC(=O)CCCCO	218546060	FJIIMKYUZTZWSX-VIFPVBQESA-N	203.282	0.426	70	20	BCID	
CC(C)(CCO)NC(=O)[C@@H]1CCCOC1	160779015	LMSMOWDGABQQTA-SECBINFHSA-N	215.293	0.690	70	20	BCID	
Cc1[nH]ncc1C(=O)NC1(CO)CCC1	161105705	XTJJMLJNZJVWGW-UHFFFAOYSA-N	209.249	0.363	70	20	BCID	
NC(=O)Cn1ccc2sccc2c1=O	161474149	VPJWRQJSYSZPRW-UHFFFAOYSA-N	208.242	0.548	70	20	BCID	
CCC[C@@H](O)CNC(=O)CCNC1CC1	217964092	ARMUQYLUKQPJLY-SNVBAGLBSA-N	214.309	0.406	70	20	BCID	
CC(C)N1CC[C@@H](CNC[C@H](C)O)C1	218759081	RGBBWUHCQSOYJY-QWRGUYRKSA-N	200.326	0.687	70	20	BCID	
CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262673057	XDMVENAPXYCLOW-UHFFFAOYSA-N	220.225	0.423	70	20	BCID	
CCc1ncnc(N2CCN(C)C(=O)C2)c1F	159953157	CWFWRNCMHKISHI-UHFFFAOYSA-N	238.266	0.457	70	20	BCID	
CCc1nc(CN2CC[C@H](C)[C@H](O)C2)n[nH]1	160248430	MFCVHEJNDWOIIW-DTWKUNHWSA-N	224.308	0.570	70	20	BCID	
COCCN(CCO)C(=O)CCC(C)C	160340351	WBVBBCCYXMNCBL-UHFFFAOYSA-N	217.309	0.890	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@@H](C(C)C)N(C)C	160819876	CPNDXVZDRWBPEW-GHMZBOCLSA-N	246.351	0.086	70	20	BCID	
CN(C)CC(=O)NC[C@@]1(C)CCCNC1	159961746	MTGSSKMBYKNINE-NSHDSACASA-N	213.325	0.054	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)C2=CCCC2)C1	159761778	SKNUXAMBGWVPHZ-NSHDSACASA-N	222.288	0.834	70	20	BCID	
CC(C)(C)NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1	160242324	QRJCJNOMNQGZQM-SFYZADRCSA-N	243.307	0.117	70	20	BCID	
O=C(NC[C@H]1CCCOC1)N[C@@H]1CCOC1	159389333	NPTBFMIKCLASTE-NXEZZACHSA-N	228.292	0.501	70	20	BCID	
O=C(NC[C@H]1CCCCO1)N[C@H]1CCOC1	159422982	PALPEYQABFXNCE-VHSXEESVSA-N	228.292	0.644	70	20	BCID	
CNCC(=O)NC[C@H](C)Oc1cccc(F)c1	161147597	ZFOYUUSXFMOPSK-VIFPVBQESA-N	240.278	0.929	70	20	BCID	
CSCCN(C)C(=O)C[C@H]1CCCN1	159999595	DMHKNCXWAJJXBI-SECBINFHSA-N	216.350	0.950	70	20	BCID	
CC[C@@H](COC)NS(=O)(=O)N(CC)CC	160334277	OFFGBLJYOLPWBV-VIFPVBQESA-N	238.353	0.588	70	20	BCID	
C[C@@H](N)C(=O)NCCc1ccc(Cl)nc1	160527517	UGKMMIVMEBQXPN-SSDOTTSWSA-N	227.695	0.741	70	20	BCID	
COC(=O)C[C@H](C)C(=O)Nc1cc(C)n[nH]1	160863197	QIMOENOJGUTAED-LURJTMIESA-N	225.248	0.856	70	20	BCID	
CS(=O)(=O)[C@H]1CCN(Cc2cncs2)C1	217632581	XFKFIQNJFPSTRJ-VIFPVBQESA-N	246.357	0.762	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)c2occc2C)C1	159783858	SFSWJHDXPCUCGE-JTQLQIEISA-N	236.271	0.939	70	20	BCID	
CN(CC(N)=O)Cc1cc(O)cc(F)c1	159819224	ITJJAHRYFOVFTQ-UHFFFAOYSA-N	212.224	0.448	70	20	BCID	
CCC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O	160716538	JUPDKULVXNKRCE-RKDXNWHRSA-N	248.348	0.231	70	20	BCID	
CN(C[C@H](O)C1CC1)[C@H](C(N)=O)c1ccccc1	160777121	KMABIOYLOGHSNV-STQMWFEESA-N	248.326	0.916	70	20	BCID	
C[C@H](CO)N(C)S(=O)(=O)c1ccccn1	161300624	BMQWGFJYAXYSIN-MRVPVSSYSA-N	230.289	0.083	70	20	BCID	
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](S(=O)(=O)F)C1	1615002184	PVRUFSXOFWQIET-GJMOJQLCSA-N	235.280	0.543	70	20	BCID	
COc1cccnc1NCCOCCO	160230766	JAAQJXOEJQVYHN-UHFFFAOYSA-N	212.249	0.511	70	20	BCID	
COC[C@H](O)CCNC(=O)c1cccs1	160878756	MXTOBOSFEJJWAZ-MRVPVSSYSA-N	229.301	0.875	70	20	BCID	
O=C(NCC1(CO)COC1)NC1CCCCC1	160940464	HJQWCVNRYNQFDT-UHFFFAOYSA-N	242.319	0.627	70	20	BCID	
CN1CC[C@H](CN(C)S(=O)(=O)Cl)C1	167352496	IJPBZODJHKMZFV-ZETCQYMHSA-N	226.729	0.354	70	20	BCID	
CS[C@@H](C)CNC(=O)N[C@H]1CCOC1	159431556	NYQTXLJFHNVWLM-YUMQZZPRSA-N	218.322	0.826	70	20	BCID	
COC[C@@H](NC(=O)NC[C@H](C)CO)C1CC1	159506247	NPJDBKZSTPOOFL-WCBMZHEXSA-N	230.308	0.339	70	20	BCID	
CCN(CC)CCNC(=O)N[C@@H]1CCOC1	159533281	IOLRSKZNOBKYPP-SNVBAGLBSA-N	229.324	0.416	70	20	BCID	
CNC(=O)C(=O)Nc1cc(C(=O)OC)cs1	159721742	YCOFSPZBNMXZOV-UHFFFAOYSA-N	242.256	0.219	70	20	BCID	
CCNC(=O)CNC(=O)[C@@H]1C[C@@]1(C)CC	159968853	ZLZYWDXXFVOCKA-GZMMTYOYSA-N	212.293	0.675	70	20	BCID	
CSCCN(C)C(=O)[C@@H]1CCCCN1	159999174	WOQNBDZFHGRYBB-VIFPVBQESA-N	216.350	0.950	70	20	BCID	
CC(C)c1cc(C(=O)NC2(C(N)=O)CC2)no1	160912740	RTZHZIGBLWEZEF-UHFFFAOYSA-N	237.259	0.546	70	20	BCID	
CN[C@@H]1CCCN(C(=O)[C@]2(C)CCCNC2)C1	161274330	ULTGIACXHYDPEP-DGCLKSJQSA-N	239.363	0.587	70	20	BCID	
CCOCCCNC(=S)N[C@H]1CCOC1	159580217	MSIGUVZVIXDTTO-VIFPVBQESA-N	232.349	0.666	70	20	BCID	
O=C(NC[C@@]1(O)CCSC1)[C@H]1CCCCO1	159901182	JUKIPTKBKITNPL-KOLCDFICSA-N	245.344	0.540	70	20	BCID	
CC(C)CC(=O)NCCC(=O)Nc1cn[nH]c1	160399099	WQLMQZJOMHWSOJ-UHFFFAOYSA-N	238.291	0.901	70	20	BCID	
C[C@H](CNC(=O)c1ccncc1F)N(C)C	161426837	VQJICZOQWSJQAG-MRVPVSSYSA-N	225.267	0.901	70	20	BCID	
CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)C	218658291	HELJWPWVIZVLHG-CBAPKCEASA-N	200.282	0.625	70	20	BCID	
CCN(CC)CCNC(=O)N[C@H]1CCOC1	159533416	IOLRSKZNOBKYPP-JTQLQIEISA-N	229.324	0.416	70	20	BCID	
CN(CC(=O)Nc1nnc[nH]1)[C@H]1CCSC1	159814141	SDAFOKDDZIJOAX-ZETCQYMHSA-N	241.320	0.181	70	20	BCID	
CONC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161417991	XCSAPECTFPTHNK-YIZRAAEISA-N	226.276	0.805	70	20	BCID	
O=C1C[C@H](C(=O)N2CC(O)C2)c2ccccc2N1	161424450	VYGGXDSBEKUJLQ-JTQLQIEISA-N	246.266	0.316	70	20	BCID	
CNC(=O)[C@@H]1CCCN1CCOCC1CC1	159555008	FKPLXZMYAPUVGH-NSHDSACASA-N	226.320	0.623	70	20	BCID	
CCNc1nc(C(=O)NCC(=O)OC)cs1	160340881	UFMBZVATBQWCAY-UHFFFAOYSA-N	243.288	0.478	70	20	BCID	
Cc1ncoc1C(=O)NC1(CO)CCC1	161118238	GQNMBIPOYQUBML-UHFFFAOYSA-N	210.233	0.628	70	20	BCID	
CC[C@H](N)C(=O)N(C)CCC1CCOCC1	161403345	RBRJHVKELAMZLQ-NSHDSACASA-N	228.336	0.999	70	20	BCID	
COC[C@H](O)CCNC(=O)CC(C)(C)C	161506747	CJXSWMVIDPCKPU-SECBINFHSA-N	217.309	0.936	70	20	BCID	
CCn1ccnc1CS(=O)(=O)Cl	100252256	WARGSGUJTULDBJ-UHFFFAOYSA-N	208.670	0.972	70	20	BCID	
C[C@@H](NC(=O)CN)C(=O)Nc1ccccc1	159893855	DQIYYKBROTVASH-MRVPVSSYSA-N	221.260	0.089	70	20	BCID	
C[C@@H](CO)N(C)C(=O)c1cccc2c1OCO2	160552531	CDTAYWUNFPZWEP-QMMMGPOBSA-N	237.255	0.868	70	20	BCID	
CCC(C)(CC)C(=O)N1CCN(CCO)CC1	159432536	RRCKPHAJGACDGF-UHFFFAOYSA-N	242.363	0.949	70	20	BCID	
Cc1cc(NC(=O)[C@H]2CCCO2)c[nH]c1=O	159502767	LPEWPQOROHBBGG-SECBINFHSA-N	222.244	0.801	70	20	BCID	
CC(C)[C@H](CCO)NC(=O)[C@H]1CSCN1	159598672	WFRYMAQKJPLDDV-DTWKUNHWSA-N	232.349	0.172	70	20	BCID	
O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCCO1	159785057	BQRSUKGNZDXFFL-AXFHLTTASA-N	225.288	0.609	70	20	BCID	
Cc1ccc(CC(=O)NCCCN)cn1	160124456	XBOCWJALIABVLO-UHFFFAOYSA-N	207.277	0.398	70	20	BCID	
COCCCCNC(=O)N1CCC[C@@](C)(O)C1	160353925	PQWNYPUNXWAYQM-GFCCVEGCSA-N	244.335	0.969	70	20	BCID	
CC[C@@H](CSC)NCCS(C)(=O)=O	217330146	FDYNJSXGGPHXOU-QMMMGPOBSA-N	225.379	0.762	70	20	BCID	
CCCS(=O)(=O)CCN(CCO)C1CC1	217898776	QZASGFLQUSWMMY-UHFFFAOYSA-N	235.349	0.268	70	20	BCID	
NCC[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1	159993045	OPGJRIICMSAHIK-NXEZZACHSA-N	212.293	0.363	70	20	BCID	
CC[C@@H](COC)NS(=O)(=O)[C@H](C)COC	160324827	VHHYPNWYFPVEBT-BDAKNGLRSA-N	239.337	0.366	70	20	BCID	
CCN(CCCO)CCN1CCCC1	160374526	KSIKQTCNDDBFFQ-UHFFFAOYSA-N	200.326	0.787	70	20	BCID	
CCCOCC(=O)N[C@@H]1CCC[C@H](N)C1	160837084	DCDQLNDTAHFWRB-VHSXEESVSA-N	214.309	0.799	70	20	BCID	
COc1cccnc1NCCNC(C)=O	160209040	HNADLEGZLKLKHV-UHFFFAOYSA-N	209.249	0.638	70	20	BCID	
CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)CO	160500410	AQVBPAVBZZGVSY-JTQLQIEISA-N	244.335	0.378	70	20	BCID	
CCCOCC(=O)N[C@H](C)CC(=O)OCC	160676264	JMIXJTFHPMZICG-SECBINFHSA-N	231.292	0.871	70	20	BCID	
CCCN(CC(=O)N(C)C)Cc1nncn1C	160829285	KWQZESVOGZGNPF-UHFFFAOYSA-N	239.323	0.115	70	20	BCID	
COCCCN(C)C(=O)c1cccc(=O)n1C	161298162	BUEOLEKZZFMPAZ-UHFFFAOYSA-N	238.287	0.494	70	20	BCID	
CC[C@H](CCO)NC(=O)Cn1cccn1	160131431	BIGAVAQQWKXYDT-SECBINFHSA-N	211.265	0.160	70	20	BCID	
CCN(CCCO)C(=O)C[C@@H]1CCCO1	160323061	XGNCEOQQEZZOKH-JTQLQIEISA-N	215.293	0.786	70	20	BCID	
C[C@@]1(NC(=S)NC2CC2)CCOC1	160041543	AWRKJWJCGARUCI-SECBINFHSA-N	200.307	0.792	70	20	BCID	
CN1CCC(NC(=O)[C@@H]2CCCCO2)CC1	161076119	UQERVIABFXLJRN-NSHDSACASA-N	226.320	0.766	70	20	BCID	
CC[C@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2)C1	218406683	FSNHPUPFQGYWOA-HBNTYKKESA-N	226.320	0.358	70	20	BCID	
CCOCCC(=O)N[C@H](CCO)C(C)C	160550532	ZDCIDYDBNGAAPX-SNVBAGLBSA-N	217.309	0.936	70	20	BCID	
CCCOCC(=O)N[C@@H]1CCC[C@@H](N)C1	160837359	DCDQLNDTAHFWRB-NXEZZACHSA-N	214.309	0.799	70	20	BCID	
CCOCCCNC(=O)N1CCC[C@@](C)(O)C1	159700562	AMMGRVRJPPKZQC-GFCCVEGCSA-N	244.335	0.969	70	20	BCID	
CC[C@@H](O)CCNCc1cnn(C)c1C	160168104	ZEZBGUHAPDFNKS-LLVKDONJSA-N	211.309	0.979	70	20	BCID	
Cc1cccc(CCNC(=O)c2nc(=O)[nH][nH]2)c1	160300254	FHUOESXOEDHVPL-UHFFFAOYSA-N	246.270	0.379	70	20	BCID	
CON(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1518681301	ZVDQQJDRTOPGKU-UHFFFAOYSA-N	236.224	0.306	70	20	BCID	
CC1(NS(=O)(=O)CCCF)CCOCC1	161062405	NZUOUBUOMSNNEU-UHFFFAOYSA-N	239.312	0.835	70	20	BCID	
C[C@H](NC(=O)N[C@@H]1CCOC1)[C@@H]1CCOC1	159414752	WPRSKLVXNJHWIG-IVZWLZJFSA-N	228.292	0.500	70	20	BCID	
COCC(C)(C)NC(=O)N[C@H]1CCOC1	159564471	OOXHIXCZFKBMLW-QMMMGPOBSA-N	216.281	0.500	70	20	BCID	
CCc1ccccc1C(=O)N[C@H](C)C(N)=O	160865555	ULCRICUAKCACMW-MRVPVSSYSA-N	220.272	0.853	70	20	BCID	
Cn1ccc(CN2CCC[C@@](C)(O)C2)n1	161290669	JSBIAVVAXIRRIR-LLVKDONJSA-N	209.293	0.767	70	20	BCID	
CC(=O)Nc1cnn(CCS(=O)(=O)F)c1	883953731	IXVPIFWHDNXYSA-UHFFFAOYSA-N	235.240	0.141	70	20	BCID	
COC(=O)[C@@H](C)NC(=O)c1oc(C)nc1C	159606319	KIJICNYUZKLKML-ZCFIWIBFSA-N	226.232	0.583	70	20	BCID	
CCc1nc(C(=O)Nc2nc(C)nn2C)co1	159806415	GNJDXBCGYRJIJK-UHFFFAOYSA-N	235.247	0.926	70	20	BCID	
C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(=O)n(C)n1	161411529	ONDPJUOSVSYKMY-DTORHVGOSA-N	235.287	0.793	70	20	BCID	
COC[C@@H](O)CCNC(=O)C1(C)CCC1	161481147	OHHINLSNHKLXPA-VIFPVBQESA-N	215.293	0.690	70	20	BCID	
COC(=O)c1coc(CS(=O)(=O)Cl)n1	1537960944	VUSZKBRZKWIZPG-UHFFFAOYSA-N	239.636	0.530	70	20	BCID	
CC[C@@H](C)OCC(=O)NC[C@H]1CCN(C)C1	160102005	YFYVFVGRAULNOQ-GHMZBOCLSA-N	228.336	0.869	70	20	BCID	
CCc1cc(O)nc(CN2CCN(C)CC2)n1	160461492	IFSTUSFBZJSRTH-UHFFFAOYSA-N	236.319	0.492	70	20	BCID	
O[C@H]1CCN(CCCN2CCCCC2)C1	160917239	ITEFNJCVSXUXFV-LBPRGKRZSA-N	212.337	0.929	70	20	BCID	
CO[C@H](C)C(=O)N[C@H](C)[C@@H]1CCCNC1	160924823	CKSQEQLYYHSDHX-OPRDCNLKSA-N	214.309	0.526	70	20	BCID	
CCNC(=O)NCc1ccc(CO)cc1	217307212	OFRHAGBVWJZAMQ-UHFFFAOYSA-N	208.261	0.998	70	20	BCID	
Cn1ccc(C(=O)NC2(CO)CCC2)n1	218174003	AFFUWANNEAGFPL-UHFFFAOYSA-N	209.249	0.065	70	20	BCID	
CCC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160741483	IYKOJWYUIHHOEN-OUAUKWLOSA-N	225.336	0.467	70	20	BCID	
O=S(=O)(F)CCn1cc(-n2cccc2)cn1	883953444	WCSIPNDFARPRDL-UHFFFAOYSA-N	243.263	0.973	70	20	BCID	
C[C@H](NC(=O)N[C@@H]1CCOC1)[C@H]1CCOC1	159415006	WPRSKLVXNJHWIG-LPEHRKFASA-N	228.292	0.500	70	20	BCID	
CN1CC[C@@H](CN(C)C(=O)N[C@@H]2CCOC2)C1	159459679	BRBQXPOBYCSQMF-GHMZBOCLSA-N	241.335	0.368	70	20	BCID	
CO[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCNC1	160924710	CKSQEQLYYHSDHX-IVZWLZJFSA-N	214.309	0.526	70	20	BCID	
CC[C@@H](O)CNCCN(CC)C1CC1	218384893	LOTZPEOWSNVBJL-LLVKDONJSA-N	200.326	0.831	70	20	BCID	
COC(=O)CCNC(=O)[C@H]1CCC(=O)C[C@@H]1C	159699057	QWFVBNNKCIZAOG-WPRPVWTQSA-N	241.287	0.671	70	20	BCID	
COCCNC(=S)N[C@]1(C)CCOC1	160042574	ZODAIEFFTFDBSV-SECBINFHSA-N	218.322	0.276	70	20	BCID	
O=C(NCCCO)N[C@@H]1CCO[C@H](C2CC2)C1	160397799	VUCFRCILCYODRF-MNOVXSKESA-N	242.319	0.626	70	20	BCID	
O=C(CN[C@H]1CCSC1)NCC(F)(F)F	160529440	NTOZUNXKPLXFDI-LURJTMIESA-N	242.266	0.760	70	20	BCID	
CNC[C@H]1CCCN1C(=O)CCOCCOC	161348151	AIOMNRSJNVVVPW-LLVKDONJSA-N	244.335	0.250	70	20	BCID	
O=C(NCCN1CCNCC1)Nc1ccccn1	217311301	QJMIYGSIWLAAGE-UHFFFAOYSA-N	249.318	0.108	70	20	BCID	
Cc1nn(CCS(=O)(=O)F)c(C)c1CO	883954671	VYPZFCIEMKYNAI-UHFFFAOYSA-N	236.268	0.292	70	20	BCID	
CC[C@](C)(O)CNS(=O)(=O)Cc1ccon1	160297226	QKZTWZHXAIIDJC-VIFPVBQESA-N	248.304	0.255	70	20	BCID	
CN1CCCC[C@H]1CNC(=O)N[C@@H]1CCOC1	160474822	YBKCXBXJXSULHP-MNOVXSKESA-N	241.335	0.559	70	20	BCID	
CC[C@@H](SC)C(=O)NCC[C@H](O)COC	160822287	CBVDKZVHBOLOJA-DTWKUNHWSA-N	235.349	0.642	70	20	BCID	
CC(C)OC(=O)CN1CCCS(=O)(=O)CC1	217931771	LBNSFOBYWDUSAQ-UHFFFAOYSA-N	249.332	0.059	70	20	BCID	
CCOC(=O)CN(CC(OC)OC)C(C)C	160306168	WMKVDIXCKAHJDD-UHFFFAOYSA-N	233.308	0.879	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@H](C)OC	160942558	XSVYSFFLURJAQX-QMMMGPOBSA-N	202.298	0.655	70	20	BCID	
O=C(NC[C@H]1CCCC[C@@H]1O)[C@H]1CSCN1	161147685	FHBRDGSNZAGNEF-BBBLOLIVSA-N	244.360	0.316	70	20	BCID	
COC[C@@H](C)NC(=O)[C@]1(C)CCCCN1	159555100	DMAGUKDXWPDNTE-KOLCDFICSA-N	214.309	0.670	70	20	BCID	
CCN(CCN)C(=O)c1cncc(F)c1	160118260	QPJMKMASNZCSJL-UHFFFAOYSA-N	211.240	0.642	70	20	BCID	
CCOC(=O)CN(C)C(=O)[C@H](C)OC	160587088	MUOHYPWBKDNYFP-ZETCQYMHSA-N	203.238	0.043	70	20	BCID	
C[C@]1(CNC(=O)C2(N)CC2)CCCC[C@@H]1O	160838020	QCJYGBNVSJMBAA-GXSJLCMTSA-N	226.320	0.535	70	20	BCID	
COC[C@@H](C)N(C)C[C@@H](C)C(=O)OC	218666764	RKZVXNKXWIITKP-RKDXNWHRSA-N	203.282	0.762	70	20	BCID	
CCN(CC)CC(=O)N(CC(N)=O)CC(C)C	159661066	IBTBNYRUFSDUFF-UHFFFAOYSA-N	243.351	0.298	70	20	BCID	
Cn1cccc1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160370458	BSARJXUBYHQLLF-PHIMTYICSA-N	233.315	0.992	70	20	BCID	
C[C@H](NS(=O)(=O)N(C)C)c1cccc(O)c1	160169148	AZIASUFUYRPMSO-QMMMGPOBSA-N	244.316	0.849	70	20	BCID	
Cc1cnccc1CNC(=O)CCCN	160614023	ISTRIIOZJZLQGB-UHFFFAOYSA-N	207.277	0.745	70	20	BCID	
CO[C@@H](C)C(=O)N[C@H](CN)CC(C)C	160935640	AOBUGPKVVFIMQS-IUCAKERBSA-N	202.298	0.511	70	20	BCID	
N[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2)C1	161415109	NECALYFIFRQPRB-GUBZILKMSA-N	211.309	0.125	70	20	BCID	
CC(C)CN1CCN(S(=O)(=O)Cl)CC1	167339196	QLTFMRRJHCWFCN-UHFFFAOYSA-N	240.756	0.744	70	20	BCID	
O=C(NCC1=CCNCC1)c1cscn1	160513619	HRIHNSOKSXKYGQ-UHFFFAOYSA-N	223.301	0.793	70	20	BCID	
COC(C)(C)C[C@@H](C)NC(=O)C1(N)CC1	160964648	CUFCBKXYVPXDEH-MRVPVSSYSA-N	214.309	0.798	70	20	BCID	
O=C(NC[C@H]1CCCS1)N[C@@H]1CCOC1	159426923	XCFWZMDMOKSTGK-RKDXNWHRSA-N	230.333	0.970	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)c2ccc(O)nc2)C1	159572360	YCNOPZVQJCCUBS-SNVBAGLBSA-N	249.270	0.138	70	20	BCID	
CC1CCN(C(=O)N2CCn3cnnc3C2)CC1	160618201	HCSUSQVQRNOEOF-UHFFFAOYSA-N	249.318	0.946	70	20	BCID	
Cc1noc([C@H]2COCCN2CCCO)n1	160790369	NOESORRMTXCMGI-SECBINFHSA-N	227.264	0.134	70	20	BCID	
CSC[C@@H](C)NC(=O)N[C@H](C)CCO	160425104	BXYMOTVNAVUZSU-HTQZYQBOSA-N	220.338	0.808	70	20	BCID	
Cc1ncoc1C(=O)NC[C@H](O)C1CC1	161055324	UKOIAQWBILBNHU-QMMMGPOBSA-N	210.233	0.484	70	20	BCID	
CN[C@H]1CCCN(C(=O)[C@@]2(C)CCCNC2)C1	161273947	ULTGIACXHYDPEP-AAEUAGOBSA-N	239.363	0.587	70	20	BCID	
CC[C@@H](CCO)NC(=O)Cc1cc[nH]n1	160117629	TZQZKPYCLUOOQQ-QMMMGPOBSA-N	211.265	0.229	70	20	BCID	
CCN(CCCO)C(=O)c1cnn(C)c1	160312626	CGUXBEUPHDPGJU-UHFFFAOYSA-N	211.265	0.265	70	20	BCID	
C[C@@H]1C[C@@H](NCCN(C)C)CN1C1CC1	160852041	DKVSOSBBUKYKRS-GHMZBOCLSA-N	211.353	0.763	70	20	BCID	
O=C(NCCN1CCOCC1)NC1CC=CC1	160290791	FMWXLRANRUMGGF-UHFFFAOYSA-N	239.319	0.336	70	20	BCID	
O=C(NCC(=O)N1CCCC1)[C@H]1CCCCO1	160556846	GVCAWEUZINVBTJ-SNVBAGLBSA-N	240.303	0.294	70	20	BCID	
CN1CCC[C@H](N(C)C(=O)N[C@@H]2CCOC2)C1	160515866	KRMPJFYIYUBMEL-MNOVXSKESA-N	241.335	0.511	70	20	BCID	
Cn1nccc1C(=O)N[C@H]1CCC[C@H](N)C1	161501523	QNANSLMYNOAMSL-IUCAKERBSA-N	222.292	0.420	70	20	BCID	
COC[C@@H](O)CCNC(=O)CC(C)(C)C	161506619	CJXSWMVIDPCKPU-VIFPVBQESA-N	217.309	0.936	70	20	BCID	
COc1ccc(N2C(=O)CNC2=O)cc1OC	218416235	XFCSLUHCGAYPOE-UHFFFAOYSA-N	236.227	0.760	70	20	BCID	
CC(C)(N)CNC(=O)CC[C@H]1CCOC1	160052532	ZWZUWTQGHAIAEE-VIFPVBQESA-N	214.309	0.657	70	20	BCID	
CC[C@H](O)CN[C@@H](C)CS(=O)(=O)CC	217327683	YSZZCSLAEUDVKX-IUCAKERBSA-N	223.338	0.170	70	20	BCID	
C[C@@H](O)CCNC(=O)[C@]1(C)CCCCN1	159564180	OGUROWWFYZHMRN-KOLCDFICSA-N	214.309	0.406	70	20	BCID	
CC(C)[C@H](N)C(=O)Nc1cccn(C)c1=O	159676429	XIZHRKQNZJRWKP-VIFPVBQESA-N	223.276	0.307	70	20	BCID	
CSC[C@H](C)C(=O)N(C)[C@H](C)CO	160448573	UTUVFPBBKIEGQL-JGVFFNPUSA-N	205.323	0.825	70	20	BCID	
C[C@@H](CC(N)=O)N[C@H](C)c1cnccn1	160680227	CGASADDYIGYYIC-JGVFFNPUSA-N	208.265	0.391	70	20	BCID	
CCc1nc(CN(C)C[C@H]2CCC[C@@H]2O)n[nH]1	159531918	WUYKKFJKDSEGSX-ZJUUUORDSA-N	238.335	0.960	70	20	BCID	
CCCC[C@@H](SC[C@@H](O)CO)C(=O)OC	160815605	ZWHQRKADJVUKFG-DTWKUNHWSA-N	236.333	0.805	70	20	BCID	
O=C(C[C@H]1CCCO1)NC1(CO)CCC1	161092006	RZSOZIRBAZHUKR-SECBINFHSA-N	213.277	0.587	70	20	BCID	
O=S(=O)(Cl)C[C@H]1CCCCS1(=O)=O	168026231	LFTCZNOUPDKMPC-ZCFIWIBFSA-N	246.737	0.522	70	20	BCID	
CCOC(=O)CN(CC)CC(OC)OC	160304322	DCZFBCOGKZGJJT-UHFFFAOYSA-N	219.281	0.490	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@H]1CCCS1	161016478	OGFITCUCANWNMO-DTWKUNHWSA-N	233.333	0.396	70	20	BCID	
Cn1nccc1C(=O)N[C@@H]1CCC[C@@H](N)C1	161501650	QNANSLMYNOAMSL-RKDXNWHRSA-N	222.292	0.420	70	20	BCID	
NC(=O)C(=O)N1CCC(C(F)(F)F)CC1	218665928	UTCCMNMSMXDTJF-UHFFFAOYSA-N	224.182	0.273	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)[C@@]2(C)CCCO2)C1	159454722	BGHNHXTVSCHKSR-ZYHUDNBSSA-N	240.303	0.293	70	20	BCID	
CC[C@@H](O)CCNC(=O)NCCN(CC)CC	160638428	VJVISRSZXMOWJN-LLVKDONJSA-N	245.367	0.788	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)c2ccon2)C1	161164157	MJQPXDXWLCPSDX-SFYZADRCSA-N	209.249	0.674	70	20	BCID	
O=C(Cc1ccon1)N1CCOC[C@@H]1C1CC1	161271861	XDAAGNBESOWUCH-LLVKDONJSA-N	236.271	0.855	70	20	BCID	
C[C@@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)N(C)C	159895039	QSTYBKZGFSQQGR-TVYUQYBPSA-N	248.326	0.711	70	20	BCID	
CNC[C@@H](C)CNC(=O)[C@@H]1CCCCO1	160137897	PYZZSWLNDRDQFT-ZJUUUORDSA-N	214.309	0.527	70	20	BCID	
CN[C@H]1CCN(C(=O)[C@@H](C)Oc2cccnc2)C1	160723073	NSCFIACDWXQCNL-MNOVXSKESA-N	249.314	0.669	70	20	BCID	
COC[C@H](O)CCNC(=O)C(C)(C)COC	161116283	SVFKSSVQMSAUML-SECBINFHSA-N	233.308	0.173	70	20	BCID	
Cc1cc(=O)c(CS(=O)(=O)Cl)n[nH]1	97972409	JKAQBIVSRSVLAK-UHFFFAOYSA-N	222.653	0.147	70	20	BCID	
Cc1ncoc1C(=O)NC[C@@H](C)CCO	159528384	LUSJOPMULMVESY-ZETCQYMHSA-N	212.249	0.731	70	20	BCID	
C[C@@H](Oc1cccc(OCCO)c1)C(N)=O	160016348	XVYCLRMTDOFLLC-MRVPVSSYSA-N	225.244	0.310	70	20	BCID	
CO[C@H](C)C(=O)NC[C@@H]1CCCCN1	160923140	SXRPJWZPZXILGD-BDAKNGLRSA-N	200.282	0.280	70	20	BCID	
CN1C[C@@H](C(=O)N(C)Cc2cccn2C)CC1=O	160963184	FCURUZDCIMHFHV-JTQLQIEISA-N	249.314	0.462	70	20	BCID	
COC(=O)C[C@@H](C)C(=O)N[C@@H](CO)CC(C)C	161194474	WUTHSCFCLLRZOP-NXEZZACHSA-N	245.319	0.709	70	20	BCID	
CC[C@H](C)NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1	160239985	ADKFWLHLSTYNNP-DJLDLDEBSA-N	243.307	0.117	70	20	BCID	
Cn1cc(NC(=O)N[C@H]2CC[C@H](O)CC2)cn1	160365181	QHCZDXMRBKJGKD-WAAGHKOSSA-N	238.291	0.845	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@@H]1C[C@@H]1C1CC1	161109951	GMFCGGWWNTYKEF-GMTAPVOTSA-N	227.304	0.546	70	20	BCID	
N#Cc1cnn2ccn(CCS(=O)(=O)F)c12	883953760	KCAVEXYYDJEUDU-UHFFFAOYSA-N	242.235	0.307	70	20	BCID	
CCOCCC(=O)N1CC[C@@H](CCN)C1	160004159	VXHILAMWCFNILU-SNVBAGLBSA-N	214.309	0.610	70	20	BCID	
CCCCS(=O)(=O)N[C@H]1CCC(=O)N(C)C1	160103391	RHDQZTMKNVNEBZ-VIFPVBQESA-N	248.348	0.327	70	20	BCID	
COCc1ccc(CN2CCNC(=O)C2)cc1	160493338	LSYSMLRZIPCHRP-UHFFFAOYSA-N	234.299	0.765	70	20	BCID	
CCCCS(=O)(=O)N1CCC[C@@](C)(O)C1	160900320	BSRWCIWWRTYQLO-SNVBAGLBSA-N	235.349	0.963	70	20	BCID	
O=C(CSCc1ccccn1)N1CC(O)C1	161482208	LPWFQXBTTWSTSB-UHFFFAOYSA-N	238.312	0.518	70	20	BCID	
CO[C@@H](C)CCC(=O)N(C)[C@@H](C)CO	159654072	CJVCOSDLCJMQNT-IUCAKERBSA-N	203.282	0.641	70	20	BCID	
NC(=O)NCCC(=O)N1CC[C@@H]2CCCC[C@@H]21	160326066	AKSOJJAYXWJUKC-UWVGGRQHSA-N	239.319	0.836	70	20	BCID	
CCC(O)(CC)CNC(=O)[C@H](C)OC	160793416	FTUIRLXCFUESFS-QMMMGPOBSA-N	203.282	0.689	70	20	BCID	
CC(C)NS(=O)(=O)N(C)CC(C)(C)CN	160921616	KXINPHPGKKPZEB-UHFFFAOYSA-N	237.369	0.146	70	20	BCID	
Cc1cc(C(=O)NC2(CO)CCC2)no1	161106376	TVHYWXPKMDBSQB-UHFFFAOYSA-N	210.233	0.628	70	20	BCID	
C[C@]1(C(=O)N2CCOCC2)CCCCN1	159548894	RDAYDNJAWCROHB-LLVKDONJSA-N	212.293	0.377	70	20	BCID	
CS(=O)(=O)CCCN1CC[C@H](CCN)C1	160053601	KJDCUQANPQZJMR-JTQLQIEISA-N	234.365	0.092	70	20	BCID	
OCCNCc1ccc2nccnc2c1	161141148	BCLYPQWIJPVOLB-UHFFFAOYSA-N	203.245	0.712	70	20	BCID	
CCC(CC)(CN)C(=O)NCCCNC	161158385	ZOZYGSRJVTZCBE-UHFFFAOYSA-N	215.341	0.477	70	20	BCID	
NCCC(=O)NC[C@H](O)c1ccsc1	161499215	ZGVDPAWGTQBIDF-QMMMGPOBSA-N	214.290	0.247	70	20	BCID	
NC[C@H]1CN(C[C@@H]2CCCCO2)CCO1	217737949	FDRYTLVDMZNRCX-QWRGUYRKSA-N	214.309	0.215	70	20	BCID	
COCCNC(=S)N(C)[C@@H]1CCSC1	160046268	HHVFAYBHIKODKP-MRVPVSSYSA-N	234.390	0.945	70	20	BCID	
C[C@@H]1NCCC[C@H]1NC(=O)c1cc[nH]n1	160532568	KSMLWMZJSNGVTR-JGVFFNPUSA-N	208.265	0.280	70	20	BCID	
CCN(CCNC1CCNCC1)C1CC1	217502604	ITTPPEPBLSIVOM-UHFFFAOYSA-N	211.353	0.812	70	20	BCID	
O=S(=O)(F)CCn1ncc2c1C[C@H](O)CC2	883953849	NENUIMSDMRWLFP-MRVPVSSYSA-N	248.279	0.032	70	20	BCID	
Cc1ccccc1[C@H](O)CNC(=O)[C@H](C)N	159841894	JXBQNQCUJZZWQH-GXSJLCMTSA-N	222.288	0.492	70	20	BCID	
CO[C@H](C)C(=O)NC[C@]1(C)CCCNC1	159972805	VTGBIAZSLQPOMX-MWLCHTKSSA-N	214.309	0.527	70	20	BCID	
CSCCN(C)C(=O)[C@H]1CCNC1	160002340	VOQKRHGPCPWEGN-QMMMGPOBSA-N	202.323	0.417	70	20	BCID	
CCNC(=O)N1CCC(OCCO)CC1	160237453	ODKNZIWZORLIGU-UHFFFAOYSA-N	216.281	0.189	70	20	BCID	
CN(C)[C@H]1CCCN(C(=O)N[C@H]2CCOC2)C1	159471045	BVFZSOLKGCATND-QWRGUYRKSA-N	241.335	0.511	70	20	BCID	
Cc1nn(C)cc1CNC[C@@H](O)C(C)C	160147163	RVWVPLQEKBDLNI-LLVKDONJSA-N	211.309	0.835	70	20	BCID	
C[C@@]1(O)CCCN(CCN2CCCC2)C1	161010225	HKVROBXFPRJSOW-GFCCVEGCSA-N	212.337	0.929	70	20	BCID	
C[C@H](CO)N(C)C(=O)NCC(F)(F)F	161124986	VCHCSFZHYGOOTD-RXMQYKEDSA-N	214.187	0.571	70	20	BCID	
CCOCCN(CC)C(=O)N[C@@H]1CCOC1	159561316	RLILJCUXJVDUKS-SNVBAGLBSA-N	230.308	0.843	70	20	BCID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1	159702239	KDCCYDBZUJKOSE-AEJSXWLSSA-N	224.304	0.960	70	20	BCID	
Cc1nn(C)cc1CNC(C)(C)CCO	160158503	GKDJNYSPSJLOIT-UHFFFAOYSA-N	211.309	0.979	70	20	BCID	
Cn1ccnc1CN1CCC[C@@H]1C(=O)NC1CC1	160760877	XEGYPYKGXRGKOP-LLVKDONJSA-N	248.330	0.663	70	20	BCID	
CCOCC(=O)NC[C@]1(C)CCCNC1	159965662	GPHOGSTZCUDRSN-LLVKDONJSA-N	214.309	0.529	70	20	BCID	
COC(=O)Cn1cnc(C(C)C)cc1=O	160653009	GLLALKHMAMBLOO-UHFFFAOYSA-N	210.233	0.540	70	20	BCID	
Cc1cccc(=O)n1CCS(=O)(=O)F	883954418	MMGOSMBIHQXAIJ-UHFFFAOYSA-N	219.237	0.456	70	20	BCID	
C[C@@H]1COCCN1C(=O)N[C@@H]1CCOC1	159451269	WPWVCEYOYVQWGZ-RKDXNWHRSA-N	214.265	0.206	70	20	BCID	
CC(C)N[C@H](CC(N)=O)C1CCOCC1	159749247	RQCKIIRDXRZEPT-SNVBAGLBSA-N	214.309	0.655	70	20	BCID	
CO[C@H](C)C(=O)NCC1CCNCC1	160919372	MCWSMXYXJBSJLW-MRVPVSSYSA-N	200.282	0.137	70	20	BCID	
C[C@]1(C(=O)N2CCC[C@H](N)C2)CCCNC1	161262529	UTDZLHVVMSUQDZ-JQWIXIFHSA-N	225.336	0.326	70	20	BCID	
O=C(N[C@@H]1CCC[C@@H]1CO)c1cnns1	217893419	WRYIVYMXSRKBRS-RNFRBKRXSA-N	227.289	0.429	70	20	BCID	
CN(C)Cc1cccc(C(=O)N2CCNCC2)c1	159373148	VIKVGJBNXCBYJI-UHFFFAOYSA-N	247.342	0.794	70	20	BCID	
COCCCS(=O)(=O)NCc1ccncc1	159500129	AXKAQEKEBNKBJA-UHFFFAOYSA-N	244.316	0.538	70	20	BCID	
C[C@H]1CN(C(=O)N[C@@H]2CCOC2)CCCO1	159544719	IWWXSFUXSXIGPK-VHSXEESVSA-N	228.292	0.596	70	20	BCID	
CCOCCC(=O)N1CC[C@H](CCN)C1	160004037	VXHILAMWCFNILU-JTQLQIEISA-N	214.309	0.610	70	20	BCID	
O=C(NC[C@@H]1CCC[C@H]1O)[C@H]1CCCO1	160082051	ZFGLAQXUCSZRFW-IVZWLZJFSA-N	213.277	0.443	70	20	BCID	
CCOC(=O)[C@@H](C)N1CCC[C@@H](CN)C1	217561629	AHTFHHMMPJOXTA-ZJUUUORDSA-N	214.309	0.609	70	20	BCID	
Cc1cc(NC(=O)N[C@H]2CCOC2)no1	159392368	CVMDHFXSGMOZMR-ZETCQYMHSA-N	211.221	0.893	70	20	BCID	
CC[C@H](CCO)NC(=O)C[C@H](C)COC	160122827	PQAJAJDEAPZERP-VHSXEESVSA-N	217.309	0.936	70	20	BCID	
O=C(CC(F)(F)F)NCC1=CCNCC1	160514566	YFZYVCXJTIHKRW-UHFFFAOYSA-N	222.210	0.975	70	20	BCID	
C[C@H]1CN(Cc2nncn2C)C[C@@H](C)O1	160668265	JOSQLXMZLDSFQH-DTORHVGOSA-N	210.281	0.424	70	20	BCID	
CNC[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O	160871352	SYSNYAGFTIVXDF-LPEHRKFASA-N	241.335	0.002	70	20	BCID	
CN(CC1(O)CCCC1)C(=O)CCN	161477994	OADMMNJAGRZLTI-UHFFFAOYSA-N	200.282	0.099	70	20	BCID	
O=C(NC[C@@H]1CCCS1)N[C@H]1CCOC1	159427315	XCFWZMDMOKSTGK-IUCAKERBSA-N	230.333	0.970	70	20	BCID	
NC(=O)Nc1ccn(CC(F)(F)F)n1	160656753	IWLRMZFKNICXGO-UHFFFAOYSA-N	208.143	0.936	70	20	BCID	
CCc1cc(O)nc(CN2CCOC[C@@H]2C)n1	160794122	FBGDDESBRGBGJI-VIFPVBQESA-N	237.303	0.965	70	20	BCID	
CCOC(C)(C)CNc1ccc2nnnn2n1	159531739	CUZVAOUFLZUZMO-UHFFFAOYSA-N	236.279	0.746	70	20	BCID	
Cn1cc(NC(=O)N[C@@]2(C)CCOC2)cn1	159805615	BXFBZLGOVWYCBQ-JTQLQIEISA-N	224.264	0.721	70	20	BCID	
CC[C@@H](CCO)NC(=O)c1cc(C)no1	160119576	KTXIGASRMVDICT-QMMMGPOBSA-N	212.249	0.874	70	20	BCID	
CCOCCCN1CCNC(=O)[C@H]1C(C)C	160452949	VCXXBEVAEXFVHA-LLVKDONJSA-N	228.336	0.869	70	20	BCID	
Cc1cc(C)n(CCS(=O)(=O)F)n1	883953412	URGLJCOSRUKKRT-UHFFFAOYSA-N	206.242	0.799	70	20	BCID	
CSCCCCC(=O)NCC(N)=O	159420735	LAAHTYDMDONCFF-UHFFFAOYSA-N	204.295	0.121	70	20	BCID	
CCCNC(=O)NCC1(OC)CCOCC1	160944083	YRXOFNCVSXCNDK-UHFFFAOYSA-N	230.308	0.891	70	20	BCID	
C[C@H](C(N)=O)N1CCN(c2ccncc2)CC1	161340396	ZCQVNOABGRJFSB-SNVBAGLBSA-N	234.303	0.077	70	20	BCID	
CC(C)(N)CNC(=O)[C@H]1CCc2cn[nH]c2C1	159945339	MUJPDUBQLLRYOY-QMMMGPOBSA-N	236.319	0.368	70	20	BCID	
CSCCN(C)C(=O)[C@H]1CC[C@@H](N)C1	160014552	DUZDLFSVFHISNE-DTWKUNHWSA-N	216.350	0.935	70	20	BCID	
O=C(NCC1=CCNCC1)c1cc[nH]n1	160510971	XSUHFFOFZFYHFF-UHFFFAOYSA-N	206.249	0.059	70	20	BCID	
COCCN(Cc1nncn1C)CC(C)C	160774035	ITBRRROPUYJBRD-UHFFFAOYSA-N	226.324	0.920	70	20	BCID	
COC(=O)CCCNC(=O)[C@@H]1CCCCO1	161096503	IBQFMQJEAXBBNK-VIFPVBQESA-N	229.276	0.625	70	20	BCID	
CCCNC(=O)CNC(=O)[C@@H]1CCCCO1	161363123	SUNLONJHJNUUCH-VIFPVBQESA-N	228.292	0.198	70	20	BCID	
CC[C@H](O)CN[C@H](C)CS(=O)(=O)CC	217327686	YSZZCSLAEUDVKX-BDAKNGLRSA-N	223.338	0.170	70	20	BCID	
COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)Cl	100488697	AXFYZSWSTCZCQT-RITPCOANSA-N	226.681	0.897	70	20	BCID	in-vitro
CC[C@@H](C(=O)Nc1c[nH]c(=O)c(C)c1)N(C)C	159837743	BNBCOHXQPTYUIS-JTQLQIEISA-N	237.303	0.962	70	20	BCID	
COC(=O)CCCS(=O)(=O)NC1(C)CCC1	159990081	OOJNAMSBCPHNFU-UHFFFAOYSA-N	249.332	0.802	70	20	BCID	
CO[C@H](C)C(=O)N(C)CC[C@@H](N)C(C)C	160944015	XIZDQYKMZMMYSW-NXEZZACHSA-N	216.325	0.853	70	20	BCID	
CO[C@@H](C)C(=O)N1CCC[C@@H](CCO)C1	160961014	DNEWVWRXZSUOKR-UWVGGRQHSA-N	215.293	0.642	70	20	BCID	
CS[C@H](C)CNC(=O)N1CCOCC1	159490917	FMVZCLVWQMHIDX-MRVPVSSYSA-N	218.322	0.780	70	20	BCID	
COC(=O)NCC(=O)NCC1(N)CCCCC1	159511508	KUWBCDAOQPUZIJ-UHFFFAOYSA-N	243.307	0.120	70	20	BCID	
COC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H](O)C(C)(C)C	159682385	MZXFACXZGZWQJR-HRDYMLBCSA-N	243.303	0.319	70	20	BCID	
CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCNC1	160802027	IXJQXHAPGLXDCV-VHSXEESVSA-N	242.319	0.301	70	20	BCID	
CO[C@@H](C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2	160922214	ZLUCFOIHVKXZED-IZJGZUANSA-N	212.293	0.421	70	20	BCID	
C[C@H]1COCCN1C(=O)N[C@@H]1CCOC1	159451417	WPWVCEYOYVQWGZ-DTWKUNHWSA-N	214.265	0.206	70	20	BCID	
Cc1cc(NC(=O)c2nccnc2N)c[nH]c1=O	159472524	GMAAVLIPWDJUAJ-UHFFFAOYSA-N	245.242	0.308	70	20	BCID	
CCOCCNC(=O)N1CCC[C@](C)(O)C1	160169150	ACARBZAMAHVQLW-NSHDSACASA-N	230.308	0.579	70	20	BCID	
CC(C)N1CCN(Cc2nncn2C)CC1	160765193	HFWJDPTUGFPLRX-UHFFFAOYSA-N	223.324	0.341	70	20	BCID	
N[C@H]1CCC[C@H](NC(=O)c2cnccn2)C1	161235481	PRWFLCFYEZBFGR-IUCAKERBSA-N	220.276	0.476	70	20	BCID	
CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCOC1	159444703	FEHLJCCCLHNRAH-GHMZBOCLSA-N	241.335	0.559	70	20	BCID	
COC[C@@H](C)N(C)C(=O)N[C@H]1CCOC1	159547582	HACPYCYHWZRTLB-BDAKNGLRSA-N	216.281	0.452	70	20	BCID	
CC(C)NS(=O)(=O)N(C)Cc1ncc[nH]1	160784750	BDPLECYIILQTLB-UHFFFAOYSA-N	232.309	0.084	70	20	BCID	
CCOCCC1(C(=O)N[C@@H](C)C(N)=O)CCC1	160864477	ZVQHCUMKEBAQRD-VIFPVBQESA-N	242.319	0.573	70	20	BCID	
CC(C)[C@@H](C(=O)N[C@H]1CCC[C@H](N)C1)N(C)C	161210235	DXLBAGXHOGIBNY-SRVKXCTJSA-N	241.379	0.959	70	20	BCID	
O=C(c1ccc(=O)[nH]n1)N1CCO[C@@H]2CCC[C@@H]21	217834508	ZTENWWGOKPDQPH-VHSXEESVSA-N	249.270	0.163	70	20	BCID	
CCc1cc(C(=O)N2CC[C@@H]3CNC[C@@H]32)n(C)n1	218062922	YPFBKTJGQBMFHW-SKDRFNHKSA-N	248.330	0.416	70	20	BCID	
CC1CC(=O)N(CCS(=O)(=O)F)C(=O)C1	883953190	LDFUKRQUEDTXSH-UHFFFAOYSA-N	237.252	0.071	70	20	BCID	
O=C(N[C@@H]1CCOC1)N[C@@H]1CCCSC1	159439798	LVUQLRHZHBUOOY-RKDXNWHRSA-N	230.333	0.970	70	20	BCID	
CNC(=O)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21	159651173	ISZDUSHIDSTQJJ-UWVGGRQHSA-N	239.319	0.707	70	20	BCID	
CCC(CC)(CNCC(=O)N(C)C)C(=O)OC	159664408	VDHUTOXHDZCXJU-UHFFFAOYSA-N	244.335	0.644	70	20	BCID	
C[C@@H]1C(=O)NCCN1CCOCC1CC1	160353144	AGZYJQGSDSDDBT-SECBINFHSA-N	212.293	0.233	70	20	BCID	
COC(CN1CCC(CNC(C)=O)CC1)OC	217897537	ZWOZPAPBHPVQSW-UHFFFAOYSA-N	244.335	0.453	70	20	BCID	
CC(C)N(C)CCNC(=O)N[C@H]1CCOC1	159401356	JRKCOCFQZQNKQU-JTQLQIEISA-N	229.324	0.415	70	20	BCID	
COCCOCCCNC(=O)C1(C)CC1	159546156	TYTYATMWAGVPBG-UHFFFAOYSA-N	215.293	0.956	70	20	BCID	
Cc1nsc(NCCn2ccnn2)n1	159626301	GTOBVQHKTKRRKO-UHFFFAOYSA-N	210.266	0.550	70	20	BCID	
CC[C@H](CCO)N[C@@H]1CCCNC(=O)C1	217801760	KRYPNADGEKJRGJ-NXEZZACHSA-N	214.309	0.406	70	20	BCID	
CC1(Nc2ccc3nnnn3n2)CCC1	159977205	LSUHJFJXKRTLQO-UHFFFAOYSA-N	204.237	0.874	70	20	BCID	
CC[C@@H](COC)NC(=O)NCCn1cccn1	160036519	NEJNHXWKVVABFS-JTQLQIEISA-N	240.307	0.607	70	20	BCID	
Cc1ncncc1C(=O)N[C@@H](CO)CC(C)C	160870245	KCZUBUHNMUFBKX-SNVBAGLBSA-N	237.303	0.922	70	20	BCID	
O=C(NC1(CO)CCC1)[C@H]1CCCCO1	161116357	MFJNDXLFCDHNHR-SECBINFHSA-N	213.277	0.587	70	20	BCID	
C[C@H](NCCOCCO)c1cscn1	161143378	VQNXFGOCTDUIQJ-QMMMGPOBSA-N	216.306	0.803	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)c2occc2C)C1	159783726	SFSWJHDXPCUCGE-SNVBAGLBSA-N	236.271	0.939	70	20	BCID	
CS(=O)(=O)CCC(=O)Nc1cccc(F)n1	160566122	QRAJWUDHMUGOII-UHFFFAOYSA-N	246.263	0.594	70	20	BCID	
CN(C)C(=O)CCN1CCC[C@@](C)(O)C1	160998834	LDOVEGGQYITQCR-LLVKDONJSA-N	214.309	0.312	70	20	BCID	
CC[C@@H](CO)N1CCN(C[C@@](C)(O)CC)CC1	161303084	MRFBBBVICKURLR-STQMWFEESA-N	244.379	0.536	70	20	BCID	
O=C(c1cc(-c2ccco2)[nH]n1)N1CC(O)C1	161485144	ACLNULXHVDIFEX-UHFFFAOYSA-N	233.227	0.486	70	20	BCID	
C[C@@H](N)C(=O)NC[C@H](O)c1ccsc1	161499373	RVPOMFPBQFVPIX-SVRRBLITSA-N	214.290	0.245	70	20	BCID	
NC(=O)[C@H]1CCN(Cc2cnc3ccccn23)C1	159842135	NDWBLLUHIIBCFK-JTQLQIEISA-N	244.298	0.642	70	20	BCID	
CO[C@H](C)C(=O)N(C)C1CCC(N)CC1	160943612	MULAHGXKAQBJNH-XNWIYYODSA-N	214.309	0.750	70	20	BCID	
OCc1ccc(CN2CCCOCC2)o1	161162564	NMRRZLSPNSOPOH-UHFFFAOYSA-N	211.261	0.994	70	20	BCID	
CCOC(=O)CCN(C)[C@H]1CCNC1	218257180	VBFBFEPXSLNFDG-VIFPVBQESA-N	200.282	0.233	70	20	BCID	
CS[C@@H](C)CNC(=O)N1CCOCC1	159490789	FMVZCLVWQMHIDX-QMMMGPOBSA-N	218.322	0.780	70	20	BCID	
CC(=O)c1cnc(NC(=O)[C@@H]2CCNC2)s1	159509895	BPPIKWJGQCIKFH-SSDOTTSWSA-N	239.300	0.894	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)c1ccoc1	159761846	PDMRGYRIHQICNA-UHFFFAOYSA-N	224.260	0.863	70	20	BCID	
CC[C@H](CSC)NCCS(C)(=O)=O	217330147	FDYNJSXGGPHXOU-MRVPVSSYSA-N	225.379	0.762	70	20	BCID	
CCN(C)C(=O)CNC1CCC(O)CC1	217385005	KNOMPRVKXIYKJL-UHFFFAOYSA-N	214.309	0.358	70	20	BCID	
C=CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337485351	AMDKAXIKSVQDOB-UHFFFAOYSA-N	246.263	0.931	70	20	BCID	
COC(C)(C)CNC(=O)N[C@@H]1CCOC1	159416278	WTMCZVJXDQOQFK-MRVPVSSYSA-N	216.281	0.500	70	20	BCID	
C[C@]1(CNC(=O)N[C@H]2CCOC2)CCCO1	159426379	DOUJFNQZJFRKNS-GXSJLCMTSA-N	228.292	0.644	70	20	BCID	
CC[C@H](C)NC(=O)CN1CCN[C@@H](C)C1	159585281	UDNNUEHKLPVYHU-UWVGGRQHSA-N	213.325	0.195	70	20	BCID	
CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1CCCO1	160031993	ISHSALNMGUEPJW-AEJSXWLSSA-N	215.293	0.689	70	20	BCID	
CC[C@@H](CCO)NC(=O)c1csnn1	160116637	WJLJOZBSAXQAML-LURJTMIESA-N	215.278	0.429	70	20	BCID	
C[C@H](CO)N(C)C(=O)CNC(=O)CC(C)(C)C	160536885	CTVSTKAHGIDJQV-SECBINFHSA-N	244.335	0.378	70	20	BCID	
CN[C@@H]1CCN(C(=O)[C@H](C)Oc2cccnc2)C1	160723205	NSCFIACDWXQCNL-WDEREUQCSA-N	249.314	0.669	70	20	BCID	
Cc1c(C(=O)NCC(N)=O)cnn1CC(C)C	161248777	OCMGCRWQHIJXNB-UHFFFAOYSA-N	238.291	0.063	70	20	BCID	
CSC[C@@](C)(O)CNC(=O)c1csnn1	217684655	OLAXKRMTLYZDFJ-QMMMGPOBSA-N	247.345	0.382	70	20	BCID	
CCc1nc(CS(=O)(=O)Cl)no1	157453458	CRVHOQHDTTUSRB-UHFFFAOYSA-N	210.642	0.701	70	20	BCID	
CC[C@H](O)CN1CCC[C@@H]1C[C@@H](C)O	159377454	VUBKFYZHHVQRSV-MXWKQRLJSA-N	201.310	0.993	70	20	BCID	
Cn1ccc(NC(=O)[C@@H]2CCCCO2)n1	160237532	ROMKJNMWHOPFGK-QMMMGPOBSA-N	209.249	0.928	70	20	BCID	
N[C@H]1CCCCCC[C@H]1C(=O)N1CC[C@@H](N)C1	160259691	HPAFEEHIFRMURI-UTUOFQBUSA-N	239.363	0.844	70	20	BCID	
NC(=O)C1(NC(=O)Nc2cccnc2)CC1	161136397	GCAXYKLNGMQUDP-UHFFFAOYSA-N	220.232	0.221	70	20	BCID	
O=C(NCCCn1cccn1)[C@H]1CCCCO1	161225048	KORSHBIHXNCLFN-LLVKDONJSA-N	237.303	0.959	70	20	BCID	
O=C(NOCC1CC1)c1ccc(=O)[nH]c1	218608548	BZJAQDBWQDQDFJ-UHFFFAOYSA-N	208.217	0.446	70	20	BCID	
C[C@H](N)C(=O)NCCc1ccc(Cl)nc1	160526150	UGKMMIVMEBQXPN-ZETCQYMHSA-N	227.695	0.741	70	20	BCID	
CCC[C@H](CCO)CNC(=O)COCC	161169556	HVMSIYAKGZXXFV-SNVBAGLBSA-N	217.309	0.938	70	20	BCID	
CC(C)c1noc(CCC(=O)N2CC(O)C2)n1	161485937	GKOJOPRMYYPZHY-UHFFFAOYSA-N	239.275	0.329	70	20	BCID	
O=C(CCNc1ccccc1)NCCO	216915014	IIRHQRLQRGDIDG-UHFFFAOYSA-N	208.261	0.597	70	20	BCID	
Cn1cc(/C=C\C(=O)N2CC(O)(C3CC3)C2)cn1	216960100	JIFVPLQYHMBWBT-DJWKRKHSSA-N	247.298	0.417	70	20	BCID	
COC(=O)[C@H](C)N1CCC[C@@H](CN)C1	217561937	WXQJOVLFQPEXRP-IUCAKERBSA-N	200.282	0.219	70	20	BCID	
CC[C@](C)(CO)NC(=O)c1ocnc1C	159519990	KWXLMGUGZWBBRT-SNVBAGLBSA-N	212.249	0.874	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)C2=CCCC2)C1	159761888	SKNUXAMBGWVPHZ-LLVKDONJSA-N	222.288	0.834	70	20	BCID	
CCOC(=O)[C@H](N)C(=O)NC(CC)CC	160036023	MDGYFZRCIGCTEF-MRVPVSSYSA-N	216.281	0.182	70	20	BCID	
CO[C@H](C)C(=O)NCC1CCOCC1	160571983	MURXERJSGRHYAR-MRVPVSSYSA-N	201.266	0.564	70	20	BCID	
C[C@@H](CC(N)=O)N[C@@H](C)c1cnccn1	160679942	CGASADDYIGYYIC-YUMQZZPRSA-N	208.265	0.391	70	20	BCID	
Cn1nccc1CN1CCC(CC(N)=O)CC1	159814269	BFEUJPJWLZUPHV-UHFFFAOYSA-N	236.319	0.508	70	20	BCID	
CC(C)NS(=O)(=O)N(C)Cc1cn[nH]c1	160782731	HLANOQQQEDHXCT-UHFFFAOYSA-N	232.309	0.084	70	20	BCID	
CN(C(=O)N[C@@H]1CCOC1)[C@H]1CCSC1	160220993	JXIMEDFDVFUPNR-BDAKNGLRSA-N	230.333	0.922	70	20	BCID	
CCn1cc(CN2CCC[C@H]2C(N)=O)cn1	160318445	ZYGMEGSATZMQFC-JTQLQIEISA-N	222.292	0.353	70	20	BCID	
CCCN(C(=O)[C@H](C)OC)[C@H]1CCNC1	160930850	IMTNBLYDXGFJQZ-UWVGGRQHSA-N	214.309	0.622	70	20	BCID	
CC(C)(C)C(=O)CNC(=O)[C@]1(O)CCSC1	159506526	QWIRHLRGXNRJNI-NSHDSACASA-N	245.344	0.586	70	20	BCID	
C[C@H]1NCCC[C@H]1NC(=O)c1cc[nH]n1	160532417	KSMLWMZJSNGVTR-HTQZYQBOSA-N	208.265	0.280	70	20	BCID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC(N)=O	160596028	LHUMHLVWSPOOPM-IUCAKERBSA-N	229.324	0.938	70	20	BCID	
CCCCS(=O)(=O)N1CCC[C@](C)(O)C1	160900452	BSRWCIWWRTYQLO-JTQLQIEISA-N	235.349	0.963	70	20	BCID	
CNC(=O)[C@H](C)N[C@@H](C)c1cscn1	161160482	XYDANRMPIUCFFF-BQBZGAKWSA-N	213.306	0.928	70	20	BCID	
COC[C@@H](O)CCNC(=O)C[C@H](C)SC	161308831	GRVGLMYTVJTCMA-IUCAKERBSA-N	235.349	0.642	70	20	BCID	
CC[C@H](C(=O)N[C@H]1CCN(C(C)=O)C1)N(C)C	159492321	KTGIFPRLOKKALK-WDEREUQCSA-N	241.335	0.064	70	20	BCID	
NCC(=O)NC[C@H]1CCc2ccccc21	159727235	KAKCTKQIWIKXAV-SNVBAGLBSA-N	204.273	0.791	70	20	BCID	
Cc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)n[nH]1	160303824	QLZIRHTXWQEYLH-AOOOYVTPSA-N	234.303	0.685	70	20	BCID	
CCN(CCCO)C(=O)C[C@H]1CCCO1	160323163	XGNCEOQQEZZOKH-SNVBAGLBSA-N	215.293	0.786	70	20	BCID	
CCCNS(=O)(=O)N(C)Cc1cn[nH]c1	160782598	LSUHFCQEHILMIR-UHFFFAOYSA-N	232.309	0.086	70	20	BCID	
CCNCC1CCN(C(=O)C(C)(C)CN)CC1	161057300	VIMKYWXIBASCKZ-UHFFFAOYSA-N	241.379	0.819	70	20	BCID	
Cc1cc(CNC(=O)N[C@H]2CCOC2)on1	159398261	LRPWLYFHHCCGAV-QMMMGPOBSA-N	225.248	0.571	70	20	BCID	
Cn1cc(NC(=O)N[C@]2(C)CCOC2)cn1	159805736	BXFBZLGOVWYCBQ-SNVBAGLBSA-N	224.264	0.721	70	20	BCID	
CCCS(=O)(=O)NC[C@@]1(C)CCCNC1	159995386	FUWVUGIBZNHYCG-JTQLQIEISA-N	234.365	0.706	70	20	BCID	
CCCNC(=O)CN1CC[C@@H](CCN)C1	160074057	VMCUVBFEJLZDIO-SNVBAGLBSA-N	213.325	0.183	70	20	BCID	
CCNC(=O)CNc1ncccc1OC	160209912	JWVGHDADARMOPL-UHFFFAOYSA-N	209.249	0.638	70	20	BCID	
O=C(c1cccc(-n2ccnc2)c1)N1CC(O)C1	161426971	NWQSJQOZNNWCTD-UHFFFAOYSA-N	243.266	0.689	70	20	BCID	
CC[C@H](CSC)NC[C@H](O)COC	217330594	UCMJCQSHKGTEDY-BDAKNGLRSA-N	207.339	0.725	70	20	BCID	
CCC[C@H](O)CNC(=O)[C@@H](CN)C(C)C	217964891	PWWSPSLDKPHBON-UWVGGRQHSA-N	216.325	0.495	70	20	BCID	
CCN(CC)CC(=O)Nc1c[nH]c(=O)c(C)c1	159375495	JDGVMEVAZATPFW-UHFFFAOYSA-N	237.303	0.964	70	20	BCID	
Cn1nccc1Cn1nnc2ccccc2c1=O	161267793	XZVBTFKAKZDNLW-UHFFFAOYSA-N	241.254	0.573	70	20	BCID	
CN(CCC1CCOCC1)C(=O)C(C)(C)N	161402238	BDGWUGMLQPJKAH-UHFFFAOYSA-N	228.336	0.999	70	20	BCID	
CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1	160223543	ZVTUKWRQIUAREC-FXPVBKGRSA-N	245.344	0.726	70	20	BCID	
C[C@@H](CO)SCC(=O)N1CCCC1	160768219	AJBHJOXQGMKAGG-QMMMGPOBSA-N	203.307	0.723	70	20	BCID	
CO[C@@H](C)C(=O)NCC1(C)CCNCC1	159983694	LIGHTHSOZHRABF-VIFPVBQESA-N	214.309	0.527	70	20	BCID	
Cc1c(CNCC2(O)CCC2)cnn1C	160144213	MECGGACAKZMMRV-UHFFFAOYSA-N	209.293	0.733	70	20	BCID	
COC(=O)C1CC(F)(CS(=O)(=O)Cl)C1	238854294	NJJYKBBAXBGEPK-UHFFFAOYSA-N	244.671	0.846	70	20	BCID	
NCC1(C(=O)N2CC[C@@H](N)C2)CCCC1	160218867	YGVYUHGPNROJEL-SECBINFHSA-N	211.309	0.065	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(C)n[nH]1	160316918	SOSZJLOPKHJVAV-ZETCQYMHSA-N	239.275	0.790	70	20	BCID	
COC(=O)C[C@@H](C)C(=O)N[C@H](CO)CC(C)C	161194322	WUTHSCFCLLRZOP-ZJUUUORDSA-N	245.319	0.709	70	20	BCID	
CC(C)N(C)CC(=O)NCCSCCCO	161487701	KPGKQUBJPBEMSY-UHFFFAOYSA-N	248.392	0.558	70	20	BCID	
CC[C@@H](O)CCNC(=O)N[C@@H]1CCOC1	159547836	WBNZWANYHMWCIY-RKDXNWHRSA-N	216.281	0.236	70	20	BCID	
CCc1[nH]nc(NC(=O)[C@H](C)NC(C)=O)c1C	159741627	FHPMJXCFJGXDEU-ZETCQYMHSA-N	238.291	0.744	70	20	BCID	
Cc1conc1NC(=O)C(=O)NCC(C)C	159951738	UOAIGQKWZZEZQR-UHFFFAOYSA-N	225.248	0.694	70	20	BCID	
CCO[C@H](C)C(=O)N[C@H]1CCC[C@H](N)C1	160875299	RYZIHQHUMPZJAA-UTLUCORTSA-N	214.309	0.798	70	20	BCID	
C[C@@]1(O)CCCN(C(=O)c2cnns2)C1	161024499	SDAOFTRFSVLQNJ-SECBINFHSA-N	227.289	0.525	70	20	BCID	
CC(=O)NCCCNC(=O)[C@H]1CCCCO1	161264185	ZVFAGHRVDMNDKD-SNVBAGLBSA-N	228.292	0.198	70	20	BCID	
CN1C[C@@H](CS(=O)(=O)Cl)OC1=O	307221130	XTGWATQYIFVAOQ-BYPYZUCNSA-N	213.642	0.006	70	20	BCID	
COC(=O)c1cccc(S(=O)(=O)Cl)n1	104542548	QASYEFOYTRBGCF-UHFFFAOYSA-N	235.648	0.796	70	20	BCID	
CCCNC(=O)CN(C)C[C@@H]1CCC[C@@H]1O	159753724	FAPNEAIOGIRLRU-QWRGUYRKSA-N	228.336	0.605	70	20	BCID	
CCC[C@H](C(=O)Nc1nnc[nH]1)N(C)C	159815813	ZGLPFQZQBVWQOL-SSDOTTSWSA-N	211.269	0.474	70	20	BCID	
CC(C)NC(=O)CN1CC[C@@H](CCN)C1	160069392	CXIBWCVNIWOKFY-SNVBAGLBSA-N	213.325	0.182	70	20	BCID	
CC1(C)CN(C(=O)C2CC2)CCS1(=O)=O	160097462	GNPJUTUPNCFXHN-UHFFFAOYSA-N	231.317	0.432	70	20	BCID	
Cc1nn2cccnc2c1C(=O)N1CCNCC1	159433313	BSCPOYMOQYXFMG-UHFFFAOYSA-N	245.286	0.083	70	20	BCID	
COC[C@@H](C)S(=O)(=O)NCc1ccncc1	159516309	LPBRDTBHLSFOPZ-SECBINFHSA-N	244.316	0.536	70	20	BCID	
COC[C@@H]1CCN(C(=O)N[C@H]2CCOC2)C1	159567620	VUYCAYPWHJSYSU-ZJUUUORDSA-N	228.292	0.453	70	20	BCID	
CS[C@@H](C)CNC(=O)NCCn1cccn1	159693802	JUAKCCDTZOBXHY-VIFPVBQESA-N	242.348	0.934	70	20	BCID	
Cc1ccc(C(N)=O)cc1NCc1cnnn1C	160034790	FHAZWLGZLGAATL-UHFFFAOYSA-N	245.286	0.835	70	20	BCID	
NC(=O)c1c[nH]c(C(=O)NC2CC=CC2)c1	161002377	FBFDUEDHQXWQOT-UHFFFAOYSA-N	219.244	0.562	70	20	BCID	
CC[C@H](C)OCC(=O)NCC[C@H](O)COC	161115630	LGQIINZNYITAMK-UWVGGRQHSA-N	233.308	0.315	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCO2)C1	161199313	WXDAUXCJFYUEDW-BBBLOLIVSA-N	212.293	0.552	70	20	BCID	
O=S(=O)(F)CCCN1CCOCC1	238851111	FDWFLVJNJYRHIU-UHFFFAOYSA-N	211.258	0.008	70	20	BCID	
CCc1nccn1CCS(=O)(=O)F	883954103	ZHPGTHBATFHBQY-UHFFFAOYSA-N	206.242	0.745	70	20	BCID	
O=C(NC[C@H]1CCOC1)N[C@H]1CCOC1	159394008	SLLYZWNHOUREGN-BDAKNGLRSA-N	214.265	0.111	70	20	BCID	
CCN1CCC[C@H]1CNC(=O)N[C@@H]1CCOC1	159444830	FEHLJCCCLHNRAH-MNOVXSKESA-N	241.335	0.559	70	20	BCID	
CN(C)[C@H](C(=O)NCCCN)c1ccccc1	160081350	HGTMAAFWNRKTBO-LBPRGKRZSA-N	235.331	0.754	70	20	BCID	
CCOC(=O)[C@@H](C)CNC(=O)CCNC(C)C	160800680	VJGOVNFEPGXQIL-JTQLQIEISA-N	244.335	0.690	70	20	BCID	
Cn1nccc1CSc1nc(N)cc(N)n1	161246230	TUWHCNHISBQVBL-UHFFFAOYSA-N	236.304	0.667	70	20	BCID	
CCNC(=O)C1CN(C(=O)CO[C@H](C)CC)C1	161291239	NEFYHYMTYFENJP-SECBINFHSA-N	242.319	0.396	70	20	BCID	
CN1CC[C@H](NC(=O)NC2CCC2)C1=O	217913185	RAVWQVQYZONUKR-QMMMGPOBSA-N	211.265	0.069	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C2CC2)C1	159856739	RZXLKWGRQXZFGK-UTUOFQBUSA-N	236.315	0.770	70	20	BCID	
CC[C@H](C)OCC(=O)NC[C@H]1CCN(C)C1	160102136	YFYVFVGRAULNOQ-WDEREUQCSA-N	228.336	0.869	70	20	BCID	
OCCCN(CCO)CCCN1CCCCC1	161044190	FUUMGVOVPWKRLC-UHFFFAOYSA-N	244.379	0.539	70	20	BCID	
CNC(=O)CN(C)C(=O)c1ccncc1F	161426096	DLHQVDLRRGUIIC-UHFFFAOYSA-N	225.223	0.039	70	20	BCID	
C[C@H]1CC[C@H](C)N1C(=O)CCS(C)(=O)=O	161453252	XLOKFSYIPBZKJZ-IUCAKERBSA-N	233.333	0.821	70	20	BCID	
CSC[C@](C)(O)CNC(=O)c1csnn1	217684740	OLAXKRMTLYZDFJ-MRVPVSSYSA-N	247.345	0.382	70	20	BCID	
CCC[C@H](N)C(=O)N[C@H]1CCC[C@@H](O)C1	217720347	JWKFYPYHMMHFJY-AEJSXWLSSA-N	214.309	0.534	70	20	BCID	
CCc1cc(NCCn2ccnn2)ncn1	159623402	VYPSLIWXVNIPSV-UHFFFAOYSA-N	218.264	0.743	70	20	BCID	
CC(=O)NCCCNC(=O)[C@]1(C)CCCNC1	161383930	HRBAHAJQBMVNDL-GFCCVEGCSA-N	241.335	0.019	70	20	BCID	
CCS(=O)(=O)C[C@@H](C)NC[C@@H]1CCOC1	161501730	DTVWRISCLPDHDQ-ZJUUUORDSA-N	235.349	0.436	70	20	BCID	
COC(=O)[C@H](C)N[C@H]1C[C@@H](O)C1(C)C	159550923	DQFGRMMGCXTMAV-BIIVOSGPSA-N	201.266	0.297	70	20	BCID	
CC(C)OC(=O)CCCNC(=O)NCCCO	160110234	VYJQPKHUURHRGL-UHFFFAOYSA-N	246.307	0.400	70	20	BCID	
Cc1cc(C)c(C(=O)N2CC[C@@H](N)C2)[nH]1	160277645	OTGVDRKRLOWDTQ-SECBINFHSA-N	207.277	0.805	70	20	BCID	
NC[C@H]1CCCN1C(=O)C[C@H]1CCCN1	160354598	VVLMXXZPCNRBQW-NXEZZACHSA-N	211.309	0.078	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCOC1	160468327	NADMMENXLVZICX-RKDXNWHRSA-N	229.276	0.481	70	20	BCID	
CCNC(=O)CNC(=O)[C@H]1C[C@@]1(C)CC	159968596	ZLZYWDXXFVOCKA-LDYMZIIASA-N	212.293	0.675	70	20	BCID	
CCCNC(=O)CNC(=O)C1=C(C)OCCC1	160276038	ABLGRMFQFZAKAG-UHFFFAOYSA-N	240.303	0.713	70	20	BCID	
CNCCCN1CCC(NC(C)=O)CC1	160345752	NBMIGPQJZRMTJG-UHFFFAOYSA-N	213.325	0.196	70	20	BCID	
NC(=O)NCc1cccnc1OCC(F)F	160694455	RRJLLPCINLPPCJ-UHFFFAOYSA-N	231.202	0.894	70	20	BCID	
COCCNCCNC(=O)CC1CCC1	218223592	FDOKTIGSZFKAHI-UHFFFAOYSA-N	214.309	0.529	70	20	BCID	
O=S(=O)(Cl)CCOCCOCC1CC1	112155397	AWFRVCUCBGODDK-UHFFFAOYSA-N	242.724	0.998	70	20	BCID	
CNC[C@H](C)C(=O)N1CC[C@@]2(CCNC2)C1	159392497	GJIGOOXYBKLRIA-CMPLNLGQSA-N	225.336	0.054	70	20	BCID	
CCCC[C@@H](COC)NC(=O)CNC	159650840	JDTNNNSEHGPIPL-VIFPVBQESA-N	202.298	0.527	70	20	BCID	
CCOCC(=O)NOCc1cccnc1	160846980	FDHLPMBRBILKHB-UHFFFAOYSA-N	210.233	0.666	70	20	BCID	
Cc1nccc(C(=O)NC[C@H](C)CCO)n1	161015076	KNWHHMPPMWGIQK-MRVPVSSYSA-N	223.276	0.533	70	20	BCID	
C[C@@H]1OCC[C@H]1C(=O)NC1(CO)CCC1	161405035	KYDVCVCIRPUVGE-DTWKUNHWSA-N	213.277	0.443	70	20	BCID	
Cc1nccnc1C(=O)NOCC(F)F	217619243	LNFFMHYUBDNULP-UHFFFAOYSA-N	217.175	0.712	70	20	BCID	
CCc1nc(CN(C)CCCC(=O)NC)n[nH]1	159489773	CJCZPEQWJIITGC-UHFFFAOYSA-N	239.323	0.325	70	20	BCID	
CSCCN(C)C(=O)[C@@H]1CCN[C@H]1C	160010050	FHATUBGYWJAANV-DTWKUNHWSA-N	216.350	0.806	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)c1cocn1	160552911	OFOPSSHXWGYFIW-ZETCQYMHSA-N	226.232	0.746	70	20	BCID	
CCC(CC)(CN)C(=O)N1C[C@H](C)N[C@@H](C)C1	161160149	DWZAFBVNKLQKCM-QWRGUYRKSA-N	241.379	0.960	70	20	BCID	
COC[C@H](O)CCNC(=O)CCC(C)C	161215312	ZDUFKRIEMZQRDZ-SNVBAGLBSA-N	217.309	0.936	70	20	BCID	
CNCCN(C)C(=O)/C=C\c1ccco1	216702693	VRRUAKLQIXJTDN-WAYWQWQTSA-N	208.261	0.971	70	20	BCID	
O=S(=O)(Cl)Cc1nnc2n1CCCC2	217316431	ALDBZNVVOCQRNI-UHFFFAOYSA-N	235.696	0.683	70	20	BCID	
CC[C@@](CCS(=O)(=O)F)(C(C)=O)C(=O)O	1595127902	DOMFADIKOAMLTD-MRVPVSSYSA-N	240.252	0.746	70	20	BCID	
CCC[C@H](C(=O)NCc1nncn1C)N(C)C	159751723	DHIYOFQLHQWOFC-SECBINFHSA-N	239.323	0.162	70	20	BCID	
CC1=C(C(=O)N(C)CC(=O)N(C)C)CCCO1	160260845	IYNPVUYWNSTYIE-UHFFFAOYSA-N	240.303	0.617	70	20	BCID	
COCCOCCC(=O)NC1CC=CC1	161019577	FKQOXSQTWTZNCS-UHFFFAOYSA-N	213.277	0.874	70	20	BCID	
C[C@@H](C(N)=O)N1CCN(Cc2ccncc2)CC1	161189460	JYLDJENIQPYDJO-NSHDSACASA-N	248.330	0.073	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)[C@H](C)COC	161234098	HXWVFLSFYDNXIY-ZJUUUORDSA-N	214.309	0.479	70	20	BCID	
CC(C)C[C@H](CNC(=N)N)N1CCOCC1	161468945	GCIQXTXCYNEHDE-SNVBAGLBSA-N	228.340	0.216	70	20	BCID	
CCOCCN(C)C(=S)NC1CC1	161486309	UNOSCTQLSROJOP-UHFFFAOYSA-N	202.323	0.992	70	20	BCID	
CC(C)S(=O)(=O)CCCN1CCC[C@@H](N)C1	217937893	QERMIRKEFRPCGW-LLVKDONJSA-N	248.392	0.623	70	20	BCID	
C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1	218086290	VPSRNIPVBIDSKF-HLTSFMKQSA-N	210.277	0.570	70	20	BCID	
CN1C[C@H](CS(=O)(=O)Cl)CC1=O	257630925	PNYSSIGXMOYXGV-RXMQYKEDSA-N	211.670	0.033	70	20	BCID	
CN1CCCN(C(=O)N[C@@H]2CCOC2)CC1	159546861	ZASOWUXFRRKSIQ-SNVBAGLBSA-N	227.308	0.122	70	20	BCID	
CSCCN(C)C(=O)[C@H]1CCCCN1	159999321	WOQNBDZFHGRYBB-SECBINFHSA-N	216.350	0.950	70	20	BCID	
C[C@@H]1NCCC[C@@H]1NC(=O)c1cc[nH]n1	160532813	KSMLWMZJSNGVTR-YUMQZZPRSA-N	208.265	0.280	70	20	BCID	
CCN(C)C(=O)N1CC[C@@H](N2CCOCC2)C1	160560012	MFVQYUHIEQZRJJ-LLVKDONJSA-N	241.335	0.465	70	20	BCID	
COC[C@@H](NC(=O)N[C@@H]1CCOC1)C(C)C	159414184	NFMRDHAFMWLZKL-NXEZZACHSA-N	230.308	0.746	70	20	BCID	
NC[C@H]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H]3C2)O1	159818295	GIFYJRXLOFKXSW-KKOKHZNYSA-N	238.331	0.751	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)c1cnns1	160017740	SKQYMOIXDOXFPV-LURJTMIESA-N	243.288	0.610	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc[nH]n1	160621922	SQNGKINGEOGGCK-SSDOTTSWSA-N	225.248	0.481	70	20	BCID	
CCC[C@@H](O)CNC(=O)[C@@H](CN)C(C)C	217964805	PWWSPSLDKPHBON-ZJUUUORDSA-N	216.325	0.495	70	20	BCID	
CCCNC(=O)N1CCc2ncncc2C1	218067371	ZRRDQWGZRTUIMI-UHFFFAOYSA-N	220.276	0.954	70	20	BCID	
O=C(NCCc1ccncc1)N[C@@H]1CCOC1	159445291	PGRWGBXALIWJAX-LLVKDONJSA-N	235.287	0.712	70	20	BCID	
CCOC(=O)[C@@H](N)C(=O)NCCC(C)C	160041309	RXAPXMXOKWGLBE-QMMMGPOBSA-N	216.281	0.039	70	20	BCID	
C[C@H](CO)CNC(=O)COCC(F)(F)F	160468154	YBGOOSVRBGWVQC-LURJTMIESA-N	229.198	0.310	70	20	BCID	
CC(C)CN1CCN(Cc2nncn2C)CC1	160716607	HBWWVRCRIQQAAC-UHFFFAOYSA-N	237.351	0.589	70	20	BCID	
CCS(=O)(=O)CC(=O)Nc1cccc(F)n1	160840932	HTCLWHWSKZQEJL-UHFFFAOYSA-N	246.263	0.594	70	20	BCID	
C[C@]1(O)CCCN(CCN2CCCC2)C1	161010093	HKVROBXFPRJSOW-LBPRGKRZSA-N	212.337	0.929	70	20	BCID	
CNC[C@H]1CCCN1C(=O)CC1(N)CCC1	161360147	FCGCSXUMNRCAMK-SNVBAGLBSA-N	225.336	0.468	70	20	BCID	
N[C@H]1CCC[C@@H](NC(=O)CCn2cccn2)C1	161436858	MHYPHLCIPPLHJG-WDEREUQCSA-N	236.319	0.659	70	20	BCID	
O=c1ccccn1Cc1nnc2n1CCCC2	217323140	XZRFRLSPMHQFJM-UHFFFAOYSA-N	230.271	0.824	70	20	BCID	
CC(C)[C@@H](C(=O)N1CCC[C@H](O)C1)N(C)C	159823215	WZFJGXVFYPPOBU-QWRGUYRKSA-N	228.336	0.556	70	20	BCID	
CC[C@H](COC)NS(=O)(=O)CCCOC	160291976	GFUAYBKJZJBJEE-SECBINFHSA-N	239.337	0.367	70	20	BCID	
C[C@@H](O)C[C@@H](C)CNC(=O)[C@H]1CCCCN1	160567284	RYKUPQFKDGXQPS-GMTAPVOTSA-N	228.336	0.652	70	20	BCID	
Cn1cc(CC(=O)N[C@H]2CCC[C@H](N)C2)cn1	161204637	ZIPMSAMDZDHMIO-QWRGUYRKSA-N	236.319	0.349	70	20	BCID	
CN(C(=O)N[C@H]1CCOC1)[C@H]1CCSC1	160221228	JXIMEDFDVFUPNR-IUCAKERBSA-N	230.333	0.922	70	20	BCID	
COC(=O)[C@H](C)N1CC[C@@H]([C@H](C)N)C1	160603270	PACGEABSSVQHPJ-XHNCKOQMSA-N	200.282	0.217	70	20	BCID	
O=C(Cc1ccccc1)NC1(CO)CC1	161073034	RTCNUDGUYDPEEV-UHFFFAOYSA-N	205.257	0.870	70	20	BCID	
O=C(NC1CCOCC1)N[C@H]1CCOC1	159386489	BXSHQWIQIIYVMO-VIFPVBQESA-N	214.265	0.254	70	20	BCID	
CCC(CC)CNC(=O)N1CCNC(=O)[C@H]1C	160606592	BVJWAQZRCKOTDX-SECBINFHSA-N	241.335	0.953	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)[C@H](C)OC	160943229	HMNWJLDLLUXNIU-IUCAKERBSA-N	200.282	0.232	70	20	BCID	
COCC[C@H](C)NC(=O)N1CCC[C@@](C)(O)C1	161465260	KASUUEPUTUYUEM-CMPLNLGQSA-N	244.335	0.968	70	20	BCID	
O=S(=O)(Cl)C[C@@H](F)[C@H]1CCOC1	1537958743	IMKFSZBVZLYXTA-NTSWFWBYSA-N	216.661	0.930	70	20	BCID	
CS(=O)(=O)c1c[nH]c(S(=O)(=O)Cl)c1	100644563	TVDAFUVVEHITII-UHFFFAOYSA-N	243.693	0.346	70	20	BCID	
C[C@H]1CN(C(=O)N[C@@H]2CCOC2)CCO1	159437499	JWRSUTHNKHSJFG-DTWKUNHWSA-N	214.265	0.206	70	20	BCID	
COC[C@@H](O)CCNC(=O)c1ccco1	161025482	YQMYHYASEFRZKP-QMMMGPOBSA-N	213.233	0.407	70	20	BCID	
O=C(NC1(CO)CCC1)[C@@H]1CCCCO1	161116252	MFJNDXLFCDHNHR-VIFPVBQESA-N	213.277	0.587	70	20	BCID	
O=C(NCCCn1ccnc1)C(F)F	217607460	MJGITBFZFHQNEH-UHFFFAOYSA-N	203.192	0.655	70	20	BCID	
CN([C@@H]1CCSC1)S(=O)(=O)Cl	59191572	VWBXBWJOBHKLGR-RXMQYKEDSA-N	215.727	0.907	70	20	BCID	
C[C@H](CC(=O)NCCO)c1ccncc1	159439394	IZTFLKPMSMCRES-SECBINFHSA-N	208.261	0.684	70	20	BCID	
CO[C@H](C)CCC(=O)N(C)[C@H](C)CO	159654498	CJVCOSDLCJMQNT-RKDXNWHRSA-N	203.282	0.641	70	20	BCID	
CC[C@@H](CSC)NC[C@H](O)COC	217330592	UCMJCQSHKGTEDY-IUCAKERBSA-N	207.339	0.725	70	20	BCID	
CN(Cc1ccncn1)S(=O)(=O)F	1887579028	VFEZWJYWENIXFL-UHFFFAOYSA-N	205.214	0.123	70	20	BCID	
O=C(NCc1ccoc1)N[C@H]1CCOC1	159394259	RILUWAZLNCBWNI-VIFPVBQESA-N	210.233	0.868	70	20	BCID	
CC(C)CC(=O)NCCC(=O)NCC(C)(C)N	159939665	RGCVBGNNIABVMD-UHFFFAOYSA-N	243.351	0.392	70	20	BCID	
CC(C)[C@@H](C(=O)N(C)CC[C@@H](C)O)N(C)C	159953309	SIEPHUSWZMDEGS-MNOVXSKESA-N	230.352	0.802	70	20	BCID	
C[C@@]1(NC(=O)c2cncc(O)c2)CCOC1	160754355	PHGJPTYGGJZCQJ-LLVKDONJSA-N	222.244	0.696	70	20	BCID	
CN1CC[C@H](CS(=O)(=O)Cl)C1=O	307125130	SVKAMAHADUXRTK-RXMQYKEDSA-N	211.670	0.033	70	20	BCID	
C[C@H](O)CCN(C)C(=O)N[C@@H]1CCOC1	159551411	HPNMMUNNRREHSY-DTWKUNHWSA-N	216.281	0.188	70	20	BCID	
CC[C@@H]1CCC[C@@H]1NC(=O)CSCC(N)=O	159687061	MGJVUZLEBDYDFX-BDAKNGLRSA-N	244.360	0.900	70	20	BCID	
CCC(CC)[C@@H](O)CNC(=O)[C@@H](C)N	159759912	XXCMAIQIBKHFJW-APPZFPTMSA-N	202.298	0.247	70	20	BCID	
CNC[C@@H](C)CNS(=O)(=O)c1cccs1	160138677	PJGWDQCQOVPDLN-MRVPVSSYSA-N	248.373	0.882	70	20	BCID	
CCCC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160164964	KDIXZRROXLJZEC-GRYCIOLGSA-N	239.363	0.857	70	20	BCID	
CO[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2	160942261	MHVDQRFEWMIZJS-BBBLOLIVSA-N	212.293	0.374	70	20	BCID	
CCN(CC)CC(=O)N[C@@H](CO)CC(C)C	160990492	MMFJRRUDUWRWMQ-LLVKDONJSA-N	230.352	0.851	70	20	BCID	
CC(C)(C)c1ncn(CCS(=O)(=O)F)n1	883954115	ZRCPFNOLKDWRAD-UHFFFAOYSA-N	235.284	0.875	70	20	BCID	
O=C(NCC1=CCNCC1)C1CC=CC1	160513468	ZTBXPEIVFBWODU-UHFFFAOYSA-N	206.289	0.989	70	20	BCID	
CC(C)C[C@H](CO)NC(=O)C1CC(=O)C1	160933264	WXALOPLGTCKDAB-SECBINFHSA-N	213.277	0.489	70	20	BCID	
C[C@H](O)CNCc1nnc2n1CCCC2	217318039	GOBFHRWZNIBRPI-QMMMGPOBSA-N	210.281	0.085	70	20	BCID	
O=C(NC[C@H]1CCCO1)N1CC[C@@H](CO)C1	160822768	DUVZRXITTWLXAD-NXEZZACHSA-N	228.292	0.189	70	20	BCID	
C[C@H](CC(N)=O)N[C@@H]1CCCOCC1	161472731	VNKSDAAGRLVPRO-RKDXNWHRSA-N	200.282	0.409	70	20	BCID	
CCn1ccnc1CN1CCN(C(C)=O)CC1	160673479	XDRPTRBDJAALLU-UHFFFAOYSA-N	236.319	0.567	70	20	BCID	
CCCNC(=O)[C@@H](C)N(CC)CCCO	160726036	LQPKMXBQUNVZBK-SNVBAGLBSA-N	216.325	0.605	70	20	BCID	
CCCC[C@@H](COC)NC(=O)[C@H](C)N	161164550	KJOGZEUCAVLDGE-IUCAKERBSA-N	202.298	0.655	70	20	BCID	
CC(C)[C@H](N)CNC(=O)[C@]1(C)CCCNC1	161281294	GYTYPFDQCLKUJB-ZYHUDNBSSA-N	227.352	0.476	70	20	BCID	
NC(=O)c1ccccc1OS(=O)(=O)F	1887578301	KRLYXFGJHNCOTO-UHFFFAOYSA-N	219.193	0.379	70	20	BCID	
CCc1nc(CN2CCC[C@](C)(O)C2)n[nH]1	160196240	YIMJVKWBLUUDLP-NSHDSACASA-N	224.308	0.714	70	20	BCID	
CCNC(=O)Cn1cnc(C(C)C)cc1=O	160772127	USZLPZVWIFCMBD-UHFFFAOYSA-N	223.276	0.503	70	20	BCID	
CN[C@@H]1CCN(C(=O)[C@H]2CSCCS2)C1	160774721	LWEGLMDFENUNFK-RKDXNWHRSA-N	246.401	0.655	70	20	BCID	
CCOC(=O)C[C@H](O)CS[C@H](C)CO	161072983	CNVPZDCASNNAPA-SFYZADRCSA-N	222.306	0.415	70	20	BCID	
CC(C)C[C@@H]1COCCN1C(=O)[C@@H](C)N	159629554	PTFOPGHVJZZTNE-NXEZZACHSA-N	214.309	0.607	70	20	BCID	
CCc1nc(CN[C@H](COC)C2CC2)n[nH]1	160626111	XEIWXIMFROVSBO-SECBINFHSA-N	224.308	0.882	70	20	BCID	
CCOCCN(C)C(=S)N[C@@H](C)COC	161485423	IXNINCMHRDDJBM-VIFPVBQESA-N	234.365	0.864	70	20	BCID	
O=C(c1ccccc1)N1CC[C@@H](CO)[C@@H](O)C1	216987365	SGKUWTREQIFDER-RYUDHWBXSA-N	235.283	0.502	70	20	BCID	
C[C@@H]1CSCCN1C(=O)c1ccc(=O)[nH]n1	217614729	CQDSKMLNWKEPOL-SSDOTTSWSA-N	239.300	0.347	70	20	BCID	
CSCCN(C)C(=O)CNCC1CC1	160009089	BHXQKBVLAWZZSY-UHFFFAOYSA-N	216.350	0.807	70	20	BCID	
CCOCCNC(=O)CCNC(=O)CC(C)C	160908059	YQSGYUMAJKNVDO-UHFFFAOYSA-N	244.335	0.692	70	20	BCID	
CC[C@@H](C)OCC(=O)NCCOCCOC	161223158	KZKSYQMXDFMDDJ-SNVBAGLBSA-N	233.308	0.581	70	20	BCID	
C[C@H]1CN(C(=O)[C@]2(C)CCCNC2)CCN1	161277992	YUBQWFBHPXTYGB-CMPLNLGQSA-N	225.336	0.196	70	20	BCID	
CONC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161418241	XCSAPECTFPTHNK-HLTSFMKQSA-N	226.276	0.805	70	20	BCID	
CCS(=O)(=O)C[C@H](C)NC[C@H]1CCOC1	161502083	DTVWRISCLPDHDQ-VHSXEESVSA-N	235.349	0.436	70	20	BCID	
O=C(C(F)F)N1CCN(C[C@@H]2CCCO2)CC1	217642748	FFCGVKZBDBFVNT-VIFPVBQESA-N	248.273	0.575	70	20	BCID	
CCOC(=O)[C@@H](N)C(=O)NCC(C)(C)C	160077358	QTOPDMKTLDRVCV-ZETCQYMHSA-N	216.281	0.039	70	20	BCID	
C[C@@]1(O)CCCN(C(=O)c2cn[nH]c2)C1	161025878	KVVHTHAUQXBGBA-SNVBAGLBSA-N	209.249	0.397	70	20	BCID	
CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)Cl	104742621	BUISJLHRUWWMJQ-RNFRBKRXSA-N	227.713	0.969	70	20	BCID	
Cn1nccc1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159735352	ONFXFBSMBJRNPE-AOOOYVTPSA-N	234.303	0.387	70	20	BCID	
NC[C@H]1CCCN1C(=O)C[C@@H]1CCCN1	160354722	VVLMXXZPCNRBQW-VHSXEESVSA-N	211.309	0.078	70	20	BCID	
Cc1ncoc1C(=O)NC[C@@H](O)C1CC1	161055449	UKOIAQWBILBNHU-MRVPVSSYSA-N	210.233	0.484	70	20	BCID	
Cn1cc(C(=O)N[C@H]2CCC[C@@H](N)C2)cn1	161200029	MPAVZZRPUPWIJR-ZJUUUORDSA-N	222.292	0.420	70	20	BCID	
CN1CCN(CCCN(C)CC2CC2)CC1	161428910	LDDLKZDDQYZQNR-UHFFFAOYSA-N	225.380	0.966	70	20	BCID	
CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1123465273	OJORGLMLSAUTIC-UHFFFAOYSA-N	220.225	0.375	70	20	BCID	
CCC[C@H](C)CC(=O)NC[C@H](O)COC	159440828	QDNXEQDLKNJCSG-UWVGGRQHSA-N	217.309	0.936	70	20	BCID	
COC[C@H](O)CNC(=O)c1cc2ccccn2c1	159533868	HMSIDFNJPPFEDY-GFCCVEGCSA-N	248.282	0.676	70	20	BCID	
C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1N)N1CCCC1	161057386	WMRPKJJLDZFISI-TUAOUCFPSA-N	239.363	0.714	70	20	BCID	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)CN	161175797	SAPJRVIHBFCREX-KOLCDFICSA-N	228.336	0.903	70	20	BCID	
COCCCC(=O)NC(C)(C)[C@@H](C)O	161334992	AAJWOSSFZNDCDJ-MRVPVSSYSA-N	203.282	0.689	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)C[C@H]1CCCN1	161348502	SHYRLPRORZAEFD-MNOVXSKESA-N	225.336	0.339	70	20	BCID	
COC[C@H](O)CNC(=O)/C=C\c1ccco1	217129902	WYKAXNKVINAPSH-XRVBUDJMSA-N	225.244	0.416	70	20	BCID	
CCCCOCC(=O)N(C)[C@@H](C)CO	160434451	YEEAANANWIXQRQ-VIFPVBQESA-N	203.282	0.642	70	20	BCID	
CNS(=O)(=O)NCC1(O)CCCCCC1	160696452	QJLAGWPIDRMKDS-UHFFFAOYSA-N	236.337	0.126	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@H]1CCCS1	161016356	OGFITCUCANWNMO-RKDXNWHRSA-N	233.333	0.396	70	20	BCID	
C[C@H]1CC[C@@H](C)N1C(=O)Cn1cnnn1	161428137	FBDDLGLNLCUIBX-OCAPTIKFSA-N	209.253	0.073	70	20	BCID	
CC[C@H](CCO)N[C@@H]1CCC[C@@H]1CN	217712550	JSJHVWVLQDSCIE-GMTAPVOTSA-N	200.326	0.864	70	20	BCID	
CC(C)CNC(=S)N[C@@H]1CCOC1	159580361	DQPWAQAORQZCSR-MRVPVSSYSA-N	202.323	0.895	70	20	BCID	
CC[C@]1(C)C[C@@H]1C(=O)NCC(=O)N(C)C	159907934	JWYIQNIEANFFJA-LDYMZIIASA-N	212.293	0.627	70	20	BCID	
CSCCCNC(=O)N[C@@H](C)CCO	160374757	QYUBSOAEVHNDFL-QMMMGPOBSA-N	220.338	0.810	70	20	BCID	
C[C@H]1OCC[C@H]1NC(=O)NCCn1ccnc1	160616021	NSQDZUYQFYVOLN-NXEZZACHSA-N	238.291	0.360	70	20	BCID	
C[C@@H]1[C@H](S(=O)(=O)Cl)CCS1(=O)=O	306322448	KDLPPSUBPILDNH-RFZPGFLSSA-N	232.710	0.131	70	20	BCID	
CC[C@@H]1COCCN1S(=O)(=O)Cl	59379114	MTVYCRXZEVLMGQ-ZCFIWIBFSA-N	213.686	0.581	70	20	BCID	
CSCCCn1c(=O)ccn(C)c1=O	160548018	KZLOPUCPHOTCAL-UHFFFAOYSA-N	214.290	0.300	70	20	BCID	
COC[C@@H](O)CNC(=O)[C@@H](C)CSC	159479547	AQIFQIXTJRVOHJ-YUMQZZPRSA-N	221.322	0.109	70	20	BCID	
NC(=O)[C@@H]1CN(CCC2CCCC2)CCO1	159898602	JZORPJCDBGUXIW-NSHDSACASA-N	226.320	0.753	70	20	BCID	
CCCCC(=O)N(CCO)CCOC	160340208	HOHWCCWRTDDPGJ-UHFFFAOYSA-N	203.282	0.644	70	20	BCID	
CC1(O)CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2N3)CC1	160751211	GSWPCXAGFOVCPM-VWYCJHECSA-N	238.331	0.500	70	20	BCID	
CNC[C@H](C)C(=O)NC[C@]1(C)CCCC[C@@H]1O	160842937	KYRTZSYFXDSVQA-GVXVVHGQSA-N	242.363	0.899	70	20	BCID	
COCCNC(=O)N1CCC[C@H]([C@H](C)O)C1	160897142	BFVREESVIFQILE-UWVGGRQHSA-N	230.308	0.435	70	20	BCID	
CCNC(=O)Cn1c(-c2cccnc2)noc1=O	161284803	FJQFPPUSAQLRFI-UHFFFAOYSA-N	248.242	0.034	70	20	BCID	
Cc1nc2c(n1CCC(N)=O)CCCC2	216920712	VDKRIODCFHMHGA-UHFFFAOYSA-N	207.277	0.946	70	20	BCID	
CCc1nnc(S(=O)(=O)Cl)n1CC	133388197	ZZZMUKORFMIILK-UHFFFAOYSA-N	223.685	0.788	70	20	BCID	
C[C@@H](CCN(C)C)NC(=O)N[C@@H]1CCOC1	159424206	NZLLOFUYVVACHJ-VHSXEESVSA-N	229.324	0.415	70	20	BCID	
Cc1ccc(CC(=O)N(C)[C@H](C)CO)cn1	160365354	YLOQVYYPDKWEDT-SNVBAGLBSA-N	222.288	0.772	70	20	BCID	
C[C@H](CO)N(C)C(=O)COC[C@H]1CCCO1	160475307	BQZCJQCAYAZHJZ-NXEZZACHSA-N	231.292	0.021	70	20	BCID	
CCC(CC)(CN)NC(=O)[C@@H](C)OC	160933629	DECYTRGJGDGJQU-MRVPVSSYSA-N	202.298	0.655	70	20	BCID	
CN1CC[C@@H](NC(=O)NCc2ccccn2)C1=O	161278069	BSBSOTBYSSTXHM-SNVBAGLBSA-N	248.286	0.112	70	20	BCID	
CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)Cl	104742628	BUISJLHRUWWMJQ-NKWVEPMBSA-N	227.713	0.969	70	20	BCID	
Cc1noc(C)c1C[C@@H](C)NS(C)(=O)=O	159838279	MORDVTAQHCVSGT-ZCFIWIBFSA-N	232.305	0.772	70	20	BCID	
CC[C@@H](C)OCC(=O)NCC[C@H](O)COC	161115561	LGQIINZNYITAMK-ZJUUUORDSA-N	233.308	0.315	70	20	BCID	
C[C@H](N)C(=O)Nc1nncn1Cc1ccccc1	161153833	PQCJNBQQIRCOJT-VIFPVBQESA-N	245.286	0.612	70	20	BCID	
CCC(CC)(CN)C(=O)N1CCC[C@H](NC)C1	161158907	LHBRTVOGKRPPIY-NSHDSACASA-N	241.379	0.962	70	20	BCID	
CCc1nn(C)cc1CNC(=O)N(C)C	161490990	WDGGEAYYBWJPJS-UHFFFAOYSA-N	210.281	0.754	70	20	BCID	
CCS(=O)(=O)C[C@H](C)NC[C@@H]1CCOC1	161501863	DTVWRISCLPDHDQ-UWVGGRQHSA-N	235.349	0.436	70	20	BCID	
C#CC1CCN(S(=O)(=O)Cl)CC1	104549545	WRGFFGXEQJBRNO-UHFFFAOYSA-N	207.682	0.815	70	20	BCID	
COC(=O)[C@H]1C[C@@H](O)CN1CC(C)C	159481784	KDSGQLOAZRIMSA-RKDXNWHRSA-N	201.266	0.251	70	20	BCID	
CC[C@H](N)CNC(=O)c1oc(C)nc1C	159566876	ZZGADFSRTILRIK-QMMMGPOBSA-N	211.265	0.759	70	20	BCID	
NC(=O)CN1CCN(CCC2CCCC2)CC1	159696678	FSRFALGMXJRSFG-UHFFFAOYSA-N	239.363	0.670	70	20	BCID	
Cc1nn(C)cc1CNC[C@H](O)C(C)C	160147094	RVWVPLQEKBDLNI-NSHDSACASA-N	211.309	0.835	70	20	BCID	
C[C@H](O)CCNC(=O)[C@H]1CC[C@@H](C)O1	217823729	MKHYSUVTWNDERA-DJLDLDEBSA-N	201.266	0.441	70	20	BCID	
NC(=O)[C@@H]1CCN(Cc2cnc(N)s2)C1	218310112	IXKVOYHYKUWUTB-ZCFIWIBFSA-N	226.305	0.033	70	20	BCID	
O=S(=O)(Cl)c1nc2ccc(F)cn2n1	100635044	PNESZPMEJZWCFS-UHFFFAOYSA-N	235.627	0.796	70	20	BCID	
COCCCN(C)C(=O)N[C@@H]1CCOC1	159450745	SNHOGZZDRFPBSG-SECBINFHSA-N	216.281	0.453	70	20	BCID	
CCNC(=O)CNC(=O)C1(CCOC)CCC1	159473216	IUTIMRIALAHOCA-UHFFFAOYSA-N	242.319	0.446	70	20	BCID	
CNCC(=O)Nc1cccc(N(C)C(C)=O)c1	160332457	RKPZYIXTDKZFQD-UHFFFAOYSA-N	235.287	0.827	70	20	BCID	
COC[C@@H](O)CCNC(=O)CCc1ccoc1	161110569	VUFSTDYXMNKGIH-NSHDSACASA-N	241.287	0.726	70	20	BCID	
O=C1C(=O)N(C2CCCC2)C(=O)N1CC(F)F	159529579	XBNBRKHNDFOMRN-UHFFFAOYSA-N	246.213	0.985	70	20	BCID	
CC[C@H]1CCC[C@H]1NC(=O)CSCC(N)=O	159687523	MGJVUZLEBDYDFX-DTWKUNHWSA-N	244.360	0.900	70	20	BCID	
Cc1ccc(CC(=O)NOCCO)cc1	159999887	FEODQNLIGCGGDA-UHFFFAOYSA-N	209.245	0.578	70	20	BCID	
CN1CCCC[C@H]1CNC(=O)N1CCOCC1	160473400	FGCRGYFCBJPCPT-NSHDSACASA-N	241.335	0.513	70	20	BCID	
C[C@H]1CN(C(=O)[C@H]2CCNC2)[C@@H](C)CO1	218253832	FSEFLLAKFPOVLP-GUBZILKMSA-N	212.293	0.232	70	20	BCID	
COC(=O)[C@H](c1cccnc1)N(C)C[C@@H](C)O	159494345	KMQSXHFWPXPZDE-KOLCDFICSA-N	238.287	0.608	70	20	BCID	
COCC(C)(C)NC(=O)CNC1CC1	159618331	HTGQQDDLFLHXBP-UHFFFAOYSA-N	200.282	0.280	70	20	BCID	
CSCCN(C)C(=O)C(C)(C)CN	160001217	ZAHIUECMNVJOED-UHFFFAOYSA-N	204.339	0.793	70	20	BCID	
CC(=O)N[C@@H]1CCN(c2cccc(F)n2)C1	160312376	OFYCHQYNLDVPGF-SECBINFHSA-N	223.251	0.936	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)CN(CC)CC	160833301	JTXAYQOQZZYQAF-SNVBAGLBSA-N	244.335	0.786	70	20	BCID	
CSCC[C@@H](N)C(=O)N[C@H](C)CSC	161206489	LSEYJNYJTRJGLU-HTQZYQBOSA-N	236.406	0.935	70	20	BCID	
CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCCO1	161234530	SYWDEGUYHVIBPF-LLVKDONJSA-N	237.303	0.948	70	20	BCID	
C[C@@]1(Nc2nccn3cnnc23)CCOC1	161426417	BKFFUHKGWZBYES-SNVBAGLBSA-N	219.248	0.715	70	20	BCID	
CC[C@@H](O)CN[C@@H](C)CS(=O)(=O)CC	217327681	YSZZCSLAEUDVKX-DTWKUNHWSA-N	223.338	0.170	70	20	BCID	
CC[C@H](C)[C@H](C)NC(=O)CN(C)C(=O)COC	159779859	YRCFGEYTGKHJBB-UWVGGRQHSA-N	244.335	0.642	70	20	BCID	
CCS(=O)(=O)CCN1CC[C@@H](CCN)C1	160047729	LEYKPBXENQIFNN-SNVBAGLBSA-N	234.365	0.092	70	20	BCID	
O=C1[C@H]2CCCN2C(=O)N1CC(F)(F)F	160398236	VEYOHRAEYMVLHI-RXMQYKEDSA-N	222.166	0.975	70	20	BCID	
CCOc1ccc(CNC(=O)NCCO)cc1	217300934	NCRPTCNYAONEHF-UHFFFAOYSA-N	238.287	0.877	70	20	BCID	
Cc1ccn(CCS(=O)(=O)F)c(=O)c1C#N	883953969	TYMQSXILJAGVDQ-UHFFFAOYSA-N	244.247	0.328	70	20	BCID	
Cc1ccnc(NCCn2ccnn2)n1	159627167	USBKYRKJTUZSSZ-UHFFFAOYSA-N	204.237	0.489	70	20	BCID	
CCC[C@H](C)NC(=O)[C@H](N)C(=O)OCC	160039855	XWOHBPMFRVAUQC-YUMQZZPRSA-N	216.281	0.182	70	20	BCID	
CC(C)OCC(=O)N[C@@H](C)[C@H](C)CO	160249067	NUNYTHPMVDTZCF-BDAKNGLRSA-N	203.282	0.545	70	20	BCID	
CCOCCN(CC)C(=O)[C@@H](C)OC	160612824	YJRSCKLZLZPWBS-SECBINFHSA-N	203.282	0.906	70	20	BCID	
CN(C)C1(CNCCC(N)=O)CCCC1	160900078	FCYUWPUASZMEMR-UHFFFAOYSA-N	213.325	0.326	70	20	BCID	
CC[C@@H](CCO)CNC(=O)[C@H](C)OC	160833911	XIMDZRXHMVENSX-IUCAKERBSA-N	203.282	0.546	70	20	BCID	
Cc1nnc(SCCn2ccnc2)n1N	159392738	OYJIPIRNWSKTLF-UHFFFAOYSA-N	224.293	0.289	70	20	BCID	
C[C@@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)N(C)C	159895469	QSTYBKZGFSQQGR-BIMULSAOSA-N	248.326	0.711	70	20	BCID	
COC(=O)C[C@H](C)C(=O)Nc1ncccc1O	160481243	RZZLJCMNEKSYJX-ZETCQYMHSA-N	238.243	0.925	70	20	BCID	
COc1ccc(N)cc1S(=O)(=O)F	238367474	DXQCAHNFNYFNAY-UHFFFAOYSA-N	205.210	0.936	70	20	BCID	
CC(C)C(=O)NCC1CCN(CCO)CC1	160540947	HOBWLAJNVNEPAL-UHFFFAOYSA-N	228.336	0.463	70	20	BCID	
COC[C@H](C)NC(=O)c1cc(C)ncn1	161195220	XGCPBJMKZFFAFV-QMMMGPOBSA-N	209.249	0.550	70	20	BCID	
CCCCNC(=S)N[C@H]1CCN(C)C1=O	217546647	HNFCXVUIWLVPMA-QMMMGPOBSA-N	229.349	0.481	70	20	BCID	
CCCCOCCNC(=O)N[C@H]1CCOC1	159395876	YGMGYJFOUZJWKS-JTQLQIEISA-N	230.308	0.891	70	20	BCID	
C[C@@H]1C[C@H](NCCN(C)C)CN1C1CC1	160851781	DKVSOSBBUKYKRS-MNOVXSKESA-N	211.353	0.763	70	20	BCID	
O=C(NC[C@@H]1CCCS1)N[C@@H]1CCOC1	159427051	XCFWZMDMOKSTGK-BDAKNGLRSA-N	230.333	0.970	70	20	BCID	
CN(Cc1cccn1C)C(=O)[C@H]1CCC(=O)NC1	160700104	WZTRQBSSUWFJBP-JTQLQIEISA-N	249.314	0.510	70	20	BCID	
CCN(CCCO)[C@@H](C)C(=O)N(C)C	160725487	YLHQHFNPDDRNOD-VIFPVBQESA-N	202.298	0.167	70	20	BCID	
CO[C@H](C)C(=O)NOCC(F)(F)F	160886409	QDZVIRCTUGFXCI-SCSAIBSYSA-N	201.144	0.631	70	20	BCID	
NS(=O)(=O)NCCOC1CCCCC1	161021439	ZQSLPSDRMNLEKG-UHFFFAOYSA-N	222.310	0.129	70	20	BCID	
CC(C)OC(=O)c1ccn(CCO)c(=O)c1	161076920	JNFOJYBONFCQJE-UHFFFAOYSA-N	225.244	0.406	70	20	BCID	
CCS(=O)(=O)C[C@H](C)N[C@H](C)CN(C)C	217327606	YVYMVLGAQFTXNE-ZJUUUORDSA-N	236.381	0.349	70	20	BCID	
COc1cn(CCS(=O)(=O)F)c(C)cc1=O	899220357	LDYHZPAOGHNUMX-UHFFFAOYSA-N	249.263	0.465	70	20	BCID	
CN1CCC(CNC(=O)N[C@H]2CCOC2)CC1	159444559	HDICXPIFIPUCOI-NSHDSACASA-N	241.335	0.416	70	20	BCID	
C[C@@H]1CCC[C@H](NC(=O)C2(NC(N)=O)CC2)C1	159455043	RPVMTAQPOIFYOV-BDAKNGLRSA-N	239.319	0.882	70	20	BCID	
CC[C@H](C)NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	160239723	ADKFWLHLSTYNNP-XHNCKOQMSA-N	243.307	0.117	70	20	BCID	
NC[C@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1	160399387	SDEBJGUFIWLKSM-SNVBAGLBSA-N	249.318	0.105	70	20	BCID	
CCC(CC)CNC(=O)N1CCNC(=O)[C@@H]1C	160606477	BVJWAQZRCKOTDX-VIFPVBQESA-N	241.335	0.953	70	20	BCID	
CO[C@@H](C)C(=O)N[C@@H](CN)CC(C)C	160935746	AOBUGPKVVFIMQS-DTWKUNHWSA-N	202.298	0.511	70	20	BCID	
CN1CC[C@H](NC(=O)NC2(C)CCC2)C1=O	161441359	QAIOTMYQZAIAKU-QMMMGPOBSA-N	225.292	0.459	70	20	BCID	
CS(=O)(=O)[C@H]1CCC[C@@H]1S(=O)(=O)Cl	114437583	BLDBZFIZRZJKLL-WDSKDSINSA-N	246.737	0.521	70	20	BCID	
CC(C)NCCC(=O)NC(C)(C)C(=O)N(C)C	159406985	CBISGFOLQLERDO-UHFFFAOYSA-N	243.351	0.358	70	20	BCID	
O=C(CC[C@@H]1CCCO1)NC1(CO)CC1	159913176	HVROWDJKKWNBAG-VIFPVBQESA-N	213.277	0.587	70	20	BCID	
CC[C@@H](CCO)NC(=O)c1ocnc1C	160132362	VAXQZYKXBILMIN-QMMMGPOBSA-N	212.249	0.874	70	20	BCID	
CCCCOCC(=O)N1CCC[C@@H]1CN	160196452	BMZHVLYDSPYVDI-SNVBAGLBSA-N	214.309	0.753	70	20	BCID	
CC[C@@H](CCO)NC1CCS(=O)(=O)CC1	217699031	HBJBENLHBNBVMG-VIFPVBQESA-N	235.349	0.314	70	20	BCID	
NC(=O)[C@H]1CCCN1Cc1cnc2ccccn12	159845589	JUMRIQBFLQBERP-LLVKDONJSA-N	244.298	0.784	70	20	BCID	
CC1(NC(=O)[C@@H]2CCCO2)CCNCC1	160572525	ZWZYWEVDLWECAE-VIFPVBQESA-N	212.293	0.424	70	20	BCID	
CN(C)C(=O)CN(C)C(=O)[C@H]1CCCCO1	161359016	KZSZOFHKBYNNHM-SECBINFHSA-N	228.292	0.102	70	20	BCID	
NC(=O)c1ccc(NC(=O)C(F)F)cc1	217614290	APFFNIMNIYYNRR-UHFFFAOYSA-N	214.171	0.989	70	20	BCID	
CC[C@@H](CCO)NCc1cc(C)nn1C	217841062	UBLRLECGDRLAMQ-JTQLQIEISA-N	211.309	0.979	70	20	BCID	
COCCN(CCOC)C(=O)N[C@H]1CCOC1	159462950	SABZYCBGSQGLNA-JTQLQIEISA-N	246.307	0.080	70	20	BCID	
CN1CC[C@@H](NC(=O)CCCn2cccc2)C1=O	159634322	DGENXTNWWJLCGT-LLVKDONJSA-N	249.314	0.615	70	20	BCID	
CCNC(=O)CN(CC)C(=O)CO[C@@H](C)CC	160005610	GRQBECMHCNAONX-JTQLQIEISA-N	244.335	0.786	70	20	BCID	
CC(=O)N(C)c1cccc(NC(=O)[C@H](C)N)c1	161387027	FSWNBUQTXINBGH-QMMMGPOBSA-N	235.287	0.955	70	20	BCID	
CC(C)(C)OC(=O)NCCC(=O)N1CC(O)C1	161416059	FQHBVZNLOGZRLN-UHFFFAOYSA-N	244.291	0.104	70	20	BCID	
C[C@@H](CNC(=O)c1ccncc1F)N(C)C	161426731	VQJICZOQWSJQAG-QMMMGPOBSA-N	225.267	0.901	70	20	BCID	
CCCNNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1577575028	ZJDTZGXZHLHZSG-UHFFFAOYSA-N	249.267	0.317	70	20	BCID	
CC[C@H](CCO)NC(=O)CNC(C)(C)C	160129017	VQSLEWKDCMPCIL-SECBINFHSA-N	216.325	0.652	70	20	BCID	
CCCC[C@H](C(=O)OC)N1CCNC(=O)C1	160591335	KFRPWHFSUDPABS-SECBINFHSA-N	228.292	0.150	70	20	BCID	
CCn1nnc(CS(=O)(=O)Cl)c1C	216289329	OIRBKGQIGJZMIM-UHFFFAOYSA-N	223.685	0.675	70	20	BCID	
CC[C@H](CCO)NCCS(=O)(=O)CC	217815288	IMOSWTJKXBDGIQ-SECBINFHSA-N	223.338	0.172	70	20	BCID	
O=S(=O)(F)Oc1ccc2c(c1)C[C@H](O)C2	1887503555	WKVDRAJCPXJMBA-MRVPVSSYSA-N	232.232	0.739	70	20	BCID	
CNC[C@H](C)CNC(=O)[C@H]1CCCCO1	160138025	PYZZSWLNDRDQFT-VHSXEESVSA-N	214.309	0.527	70	20	BCID	
CC(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C	160949903	FEOSAOJIKOKJDJ-MNOVXSKESA-N	228.336	0.604	70	20	BCID	
N[C@H]1CCC[C@H](NC(=O)CC2CCNCC2)C1	161200430	XPHLUSRBAKENAE-RYUDHWBXSA-N	239.363	0.762	70	20	BCID	
Cc1ncn(CCS(=O)(=O)F)c1C	883954111	ZLDLQXHXIJKQIY-UHFFFAOYSA-N	206.242	0.799	70	20	BCID	
C[C@H](C(=O)NC1CC1)N(C)C[C@@H]1CCC[C@@H]1O	159745663	KDSFULJPEWJGIG-SCVCMEIPSA-N	240.347	0.746	70	20	BCID	
COC(=O)C[C@@H](C)C(=O)Nc1ncccc1O	160481360	RZZLJCMNEKSYJX-SSDOTTSWSA-N	238.243	0.925	70	20	BCID	
CC(C)CCO[C@@H]1CCN(C(=O)CN)C1	160812273	SNHIGGFCGDZHEL-SNVBAGLBSA-N	214.309	0.609	70	20	BCID	
CCCOC(=O)c1ccc(S(N)(=O)=O)s1	217742333	MUCCCCHQPISSNY-UHFFFAOYSA-N	249.313	0.962	70	20	BCID	
CN(C)CCCNC(=O)N[C@@H]1CCOC1	159533565	HNMPLKCBFFWPDA-SECBINFHSA-N	215.297	0.026	70	20	BCID	
CC(C)COC[C@@H](O)CN1CCCC[C@@H]1CO	159802318	WPZVWTCTIPLUJC-OLZOCXBDSA-N	245.363	0.867	70	20	BCID	
C[C@H](O)C1CCN(S(=O)(=O)C2CC2)CC1	160850243	PQTQMUFEUJZPHZ-QMMMGPOBSA-N	233.333	0.571	70	20	BCID	
C[C@@H](Oc1ccc(OCCO)cc1)C(N)=O	160007203	LVDYIWNBCINFBF-MRVPVSSYSA-N	225.244	0.310	70	20	BCID	
CNC(=O)C1(C(=O)NC2CC=CC2)CC1	160812944	WDFLJVDZACLGEA-UHFFFAOYSA-N	208.261	0.347	70	20	BCID	
CCCN(C(=O)[C@H](C)OC)[C@@H]1CCNC1	160930710	IMTNBLYDXGFJQZ-VHSXEESVSA-N	214.309	0.622	70	20	BCID	
COC[C@H](O)CCNC(=O)CC1CC1	161453177	IPURSKYJQZPZID-SECBINFHSA-N	201.266	0.300	70	20	BCID	
Cn1cc(/C=C\C(=O)NCC2(O)CCCC2)cn1	217009463	YXMRJSPZVLOAMH-PLNGDYQASA-N	249.314	0.855	70	20	BCID	
CC[C@](C)(O)CNC(=O)c1cc(OC)no1	159408381	XFSMJVKEIDAKKQ-JTQLQIEISA-N	228.248	0.574	70	20	BCID	
CN(C)CCNC(=O)CN(C)[C@H]1CCSC1	160004811	YDWWKXICUDGJFB-JTQLQIEISA-N	245.392	0.102	70	20	BCID	
CCN(CC(=O)N[C@H](CO)CC(C)C)C1CC1	160843898	AVFKHEWGJFGIOJ-NSHDSACASA-N	242.363	0.994	70	20	BCID	
O=C(NC1(CO)CCC1)[C@H]1CCCOC1	161117002	OTTDRZXCTVZOBS-VIFPVBQESA-N	213.277	0.444	70	20	BCID	
COc1nc(C)nc(N2CC[C@@H](O)C2)c1C	159379121	WDKFNOZIGHODEC-SECBINFHSA-N	223.276	0.673	70	20	BCID	
CCCCO[C@@H](C)C(=O)NC[C@@H](O)COC	159470036	RPHFCDBROKUIGU-VHSXEESVSA-N	233.308	0.315	70	20	BCID	
C[C@H](O)C[C@H](C)CNC(=O)[C@H]1CCCCN1	160567416	RYKUPQFKDGXQPS-GARJFASQSA-N	228.336	0.652	70	20	BCID	
O=C(NCC1CCN(CCO)CC1)C1CC1	160580305	BKIVGCPVVNOPHH-UHFFFAOYSA-N	226.320	0.217	70	20	BCID	
CN[C@H]1CCN(C(=O)[C@H](C)OCC2CC2)C1	160619212	WTIZQIUUINTSER-ONGXEEELSA-N	226.320	0.622	70	20	BCID	
Cc1nnc(CN2CCC3(C2)OCCO3)o1	160649175	XHTHBGXWZMWIBM-UHFFFAOYSA-N	225.248	0.327	70	20	BCID	
CCS(=O)(=O)C[C@H](C)N[C@@H](C)CN(C)C	217327602	YVYMVLGAQFTXNE-UWVGGRQHSA-N	236.381	0.349	70	20	BCID	
Cn1ccc(C(=O)NCc2cc[nH]n2)n1	218028813	IRLPEWKOIKKIEO-UHFFFAOYSA-N	205.221	0.073	70	20	BCID	
CC[C@H](O)CNC[C@@H](C)N(C)C1CC1	218674653	JXAHQODTLUYLQU-KOLCDFICSA-N	200.326	0.830	70	20	BCID	
CCCN1CCN(S(=O)(=O)Cl)CC1	100540910	QYTUKJKJIUUIRD-UHFFFAOYSA-N	226.729	0.498	70	20	BCID	
CSCCN(C)C(=O)N[C@H]1CCOC1	159439501	BDIKSASAKTZHLU-QMMMGPOBSA-N	218.322	0.780	70	20	BCID	
CSCCN(C)C(=O)[C@@H]1CCNC1	160002211	VOQKRHGPCPWEGN-MRVPVSSYSA-N	202.323	0.417	70	20	BCID	
N[C@@H]1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)C1	160281805	BRTGCXJHLFMGLR-MRVPVSSYSA-N	246.270	0.843	70	20	BCID	
CCN(C)C(=O)N1CC[C@H](N2CCOCC2)C1	160559885	MFVQYUHIEQZRJJ-NSHDSACASA-N	241.335	0.465	70	20	BCID	
CC(C)C[C@@H](CO)NC(=O)[C@]1(O)CCSC1	160629118	DNNBYZHEVXPMQT-ONGXEEELSA-N	247.360	0.378	70	20	BCID	
Cc1nnc(CS[C@H](C)CO)n1C	160700748	KCEFSZPMHIAOKO-ZCFIWIBFSA-N	201.295	0.738	70	20	BCID	
CCCNC(=O)CNC(=O)[C@@H](C(C)C)N(C)C	159481655	XKBUMIFHKHSRLA-LLVKDONJSA-N	243.351	0.215	70	20	BCID	
C[C@H](Oc1ccc(OCCO)cc1)C(N)=O	160007061	LVDYIWNBCINFBF-QMMMGPOBSA-N	225.244	0.310	70	20	BCID	
CCN(CCNC[C@@H](O)COC)C1CC1	218512439	WDOUWQMFJLUVPN-LLVKDONJSA-N	216.325	0.068	70	20	BCID	
Cc1nc2n(c1S(=O)(=O)Cl)CCOC2	238854656	ORYPXZQBKRLXER-UHFFFAOYSA-N	236.680	0.649	70	20	BCID	
COC[C@H](O)CNC(=O)[C@H](C)CSC	159479907	AQIFQIXTJRVOHJ-HTQZYQBOSA-N	221.322	0.109	70	20	BCID	
CCOCCCC(=O)N[C@H]1CCN(C(C)=O)C1	159717185	MWHOJLADODARLI-NSHDSACASA-N	242.319	0.540	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)C1CCOCC1	159780836	NHYOORXARXLSJE-UHFFFAOYSA-N	242.319	0.383	70	20	BCID	
CCC[C@@H](C(=O)Nc1nnc[nH]1)N(C)C	159815664	ZGLPFQZQBVWQOL-ZETCQYMHSA-N	211.269	0.474	70	20	BCID	
CC[C@@H](CCO)NCc1cnn(C)c1C	160155475	QFWYZQLAXBMEQK-NSHDSACASA-N	211.309	0.979	70	20	BCID	
COCCCCNC(=O)c1cccc(=O)n1C	159408745	AXJWUWXCACJTAI-UHFFFAOYSA-N	238.287	0.542	70	20	BCID	
CN(CC(=O)N(C)C1CC1)C[C@H]1CCC[C@@H]1O	159661935	PDJGCEVXEKMSFW-PWSUYJOCSA-N	240.347	0.700	70	20	BCID	
CCOC(=O)c1coc(N[C@H](C)CO)n1	159692491	MCDPQSQZRCVEKF-ZCFIWIBFSA-N	214.221	0.644	70	20	BCID	
COC[C@@H](C)NC(=S)N[C@@]1(C)CCOC1	160043636	QVBPSSRZYORAHJ-SCZZXKLOSA-N	232.349	0.664	70	20	BCID	
CCOCCCN1CCNC(=O)[C@H]1C	160357209	HPXRKOFUYQWWGB-SECBINFHSA-N	200.282	0.233	70	20	BCID	
O=C1CN(CCCN2CCCCC2)CCN1	161221284	AJXPISMLIRPMAL-UHFFFAOYSA-N	225.336	0.294	70	20	BCID	
CCC[C@@H](O)CNC(=O)C1(N)CCC1	217966072	WMKIBSOWJBXPTD-MRVPVSSYSA-N	200.282	0.145	70	20	BCID	
Cc1noc(NC(=O)[C@H]2CCn3ccnc3C2)n1	160095815	WBASQLAWPAZQFS-QMMMGPOBSA-N	247.258	0.776	70	20	BCID	
CC[C@H](COC)NS(=O)(=O)N(CC)CC	160334396	OFFGBLJYOLPWBV-SECBINFHSA-N	238.353	0.588	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)CN(C)C(C)C	160872536	QYPYFJRVTWNLIO-SNVBAGLBSA-N	244.335	0.785	70	20	BCID	
CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCCO1	161234408	SYWDEGUYHVIBPF-NSHDSACASA-N	237.303	0.948	70	20	BCID	
CC[C@@H](CCO)NC(=O)N[C@H]1CCOC1	159540506	PVOWEIANHVREOR-IUCAKERBSA-N	216.281	0.236	70	20	BCID	
O=C(Cc1cccnc1)NC1(CO)CC1	161082529	VDMFEUXOHNABGJ-UHFFFAOYSA-N	206.245	0.265	70	20	BCID	
CN(C)C(=O)CN(C)C(=O)[C@@H]1CCCCO1	161358878	KZSZOFHKBYNNHM-VIFPVBQESA-N	228.292	0.102	70	20	BCID	
CCN(C)C(=O)CNC[C@@H]1CCCNC1	217368853	HJVFXSSGVHTJEL-SNVBAGLBSA-N	213.325	0.054	70	20	BCID	
Cc1cccnc1CNC(=O)N[C@H]1CCOC1	159388642	MILGTSXQUDVTPD-JTQLQIEISA-N	235.287	0.978	70	20	BCID	
O=C(NCCO)c1csc(C2CC2)n1	159433243	NGVIYBNILSYRPE-UHFFFAOYSA-N	212.274	0.743	70	20	BCID	
COC[C@@H](NC(=O)NC[C@@H](C)CO)C1CC1	159506365	NPJDBKZSTPOOFL-PSASIEDQSA-N	230.308	0.339	70	20	BCID	
CC(C)c1ccc(C(=O)N[C@H](C)C(N)=O)cn1	160312099	XPZKPSVRBPFPMM-MRVPVSSYSA-N	235.287	0.809	70	20	BCID	
C[C@]1(O)CCCN(C(=O)NC2CCOCC2)C1	160680037	ZHQKPHLCDZXQAA-LBPRGKRZSA-N	242.319	0.722	70	20	BCID	
C[C@@H](CO)N(C)C(=O)NCC(F)(F)F	161124875	VCHCSFZHYGOOTD-YFKPBYRVSA-N	214.187	0.571	70	20	BCID	
CCn1cnnc1CNCc1ncc[nH]1	218220478	YCWFLMFITVMSQQ-UHFFFAOYSA-N	206.253	0.311	70	20	BCID	
O=S(=O)(Cl)Cc1cnc2n1CCC2	521401553	ZSGUNGJNEMJRIE-UHFFFAOYSA-N	220.681	0.898	70	20	BCID	
O=S1(=O)CCC[C@H](S(=O)(=O)Cl)C1	111860387	OQPDTERSQULOEY-YFKPBYRVSA-N	232.710	0.132	70	20	BCID	
CC[C@@H](Oc1cccc(F)c1C(N)=O)C(N)=O	159480833	ZPIZHAWEOAOGRG-SSDOTTSWSA-N	240.234	0.567	70	20	BCID	
CC(C)(C)C(=O)CNC(=O)[C@@]1(O)CCSC1	159506657	QWIRHLRGXNRJNI-LLVKDONJSA-N	245.344	0.586	70	20	BCID	
C[C@@H]1CN(CCn2ccnc2)[C@H](C)CO1	159715829	OJTRLQYECCTDFY-GHMZBOCLSA-N	209.293	0.992	70	20	BCID	
CC[C@@H](COC)NS(=O)(=O)c1cnn(C)c1	160315609	ABZVMENCDPHKGE-QMMMGPOBSA-N	247.320	0.123	70	20	BCID	
COC(=O)CCC(=O)N(C)Cc1cccn1C	160374497	ULKMRBHJRMETLZ-UHFFFAOYSA-N	238.287	0.937	70	20	BCID	
Cn1cnnc1CN1CCN(C2CCCC2)CC1	160760024	VXZLTEYAYZPXDP-UHFFFAOYSA-N	249.362	0.875	70	20	BCID	
CCN(C)C(=O)CNC(=O)c1ccc(O)cc1	218194453	LTNMSCRLGNFLOT-UHFFFAOYSA-N	236.271	0.600	70	20	BCID	
COC[C@@H](C)CNC(=O)N[C@H]1CCOC1	159400657	LTIFDRVPAGIPPH-IUCAKERBSA-N	216.281	0.357	70	20	BCID	
Cc1nn(C)cc1CN1CCC[C@@H]1C(N)=O	160310844	YJPWFMSSOIZIKF-SNVBAGLBSA-N	222.292	0.178	70	20	BCID	
CN(Cc1cccnn1)S(=O)(=O)F	1887497419	OLYQERNRGZXOKG-UHFFFAOYSA-N	205.214	0.123	70	20	BCID	
CC[C@H](N)C(=O)NC[C@H](O)[C@@H](C)CC	159819189	XOBLRGBICQFXJZ-CIUDSAMLSA-N	202.298	0.247	70	20	BCID	
Cn1nnc2cccc(S(=O)(=O)Cl)c21	104536679	WRXUHCLJFZAIPY-UHFFFAOYSA-N	231.664	0.896	70	20	BCID	
Cc1cccc(C(=O)N[C@H](C)C(N)=O)c1F	160179766	PUYJNFHYTLCCMG-SSDOTTSWSA-N	224.235	0.738	70	20	BCID	
CCN(CC)S(=O)(=O)NCC(F)(F)F	160450353	HSJYIMWZXDTMDQ-UHFFFAOYSA-N	234.243	0.725	70	20	BCID	
COc1c(F)ccc(F)c1C(=O)NCCO	159439131	YUYRWYBYAPFQTB-UHFFFAOYSA-N	231.198	0.696	70	20	BCID	
CCOC1CCN(C(=O)[C@H](C)O)CC1	217961077	VXZUUGMUUBAUMK-QMMMGPOBSA-N	201.266	0.395	70	20	BCID	
CC(C)N1CCN(C(=O)N[C@H]2CCOC2)CC1	159460778	GZFWKTJPHPKYNS-NSHDSACASA-N	241.335	0.511	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)OCC	160491264	ZVRLMOLRDXZSPN-RKDXNWHRSA-N	231.292	0.869	70	20	BCID	
CC(C)[C@@H](N)CNC(=O)[C@]1(C)CCCNC1	161281418	GYTYPFDQCLKUJB-CMPLNLGQSA-N	227.352	0.476	70	20	BCID	
CCN1CCN(C(=O)N[C@H]2CCOC2)CC1	159552114	PWRSRWUWMMHZGV-JTQLQIEISA-N	227.308	0.122	70	20	BCID	
Cc1nn(C)cc1CNC1(CO)CCC1	160169231	HEYQUJNUCMKZOM-UHFFFAOYSA-N	209.293	0.733	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@@H](C)COC	160461573	VYTUYFYHIMJQTC-VIFPVBQESA-N	216.325	0.903	70	20	BCID	
CC[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C)C	160886721	IPFNOAPAWPXEJJ-QWRGUYRKSA-N	230.352	0.850	70	20	BCID	
CC[C@@](C)(CO)NC(=O)c1ocnc1C	159519833	KWXLMGUGZWBBRT-JTQLQIEISA-N	212.249	0.874	70	20	BCID	
C[C@H](O)CCN(C)C(=O)N[C@H]1CCOC1	159551690	HPNMMUNNRREHSY-IUCAKERBSA-N	216.281	0.188	70	20	BCID	
C[C@@]1(C(=O)Nc2cn[nH]c2)CCCCN1	159570271	UKBVWGXHPBWEGO-JTQLQIEISA-N	208.265	0.880	70	20	BCID	
CC[C@H](CCO)NC(=O)Cc1cc[nH]n1	160117741	TZQZKPYCLUOOQQ-MRVPVSSYSA-N	211.265	0.229	70	20	BCID	
CCN(C)CCNC(=O)c1ccc(OC)nn1	160147453	YEGAATXBWSJTEM-UHFFFAOYSA-N	238.291	0.167	70	20	BCID	
Cc1ncsc1CCn1ncn(C)c1=O	160747000	WUPLAIUPUQIQLU-UHFFFAOYSA-N	224.289	0.589	70	20	BCID	
CCOC(=O)[C@H](C)CNC(=O)CCNC(C)C	160800815	VJGOVNFEPGXQIL-SNVBAGLBSA-N	244.335	0.690	70	20	BCID	
CO[C@@H](C)CCC(=O)N(C)[C@H](C)CO	159654345	CJVCOSDLCJMQNT-BDAKNGLRSA-N	203.282	0.641	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)c1ccon1	159698738	NTJFCWVAQICLIM-UHFFFAOYSA-N	225.248	0.258	70	20	BCID	
CC[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C)C	160887056	IPFNOAPAWPXEJJ-GHMZBOCLSA-N	230.352	0.850	70	20	BCID	
CCCNC(=O)[C@H](C)N1CCC[C@@H](N)C1	217527589	WPXAJPDJRGLYRD-VHSXEESVSA-N	213.325	0.324	70	20	BCID	
C[C@H](O)[C@@H]1CCN(c2ncc(F)cn2)C1	159528113	GQZLBUKYXFEYQH-JGVFFNPUSA-N	211.240	0.823	70	20	BCID	
COC[C@@H](C)N(C)C(=O)N[C@@H]1CCOC1	159547304	HACPYCYHWZRTLB-RKDXNWHRSA-N	216.281	0.452	70	20	BCID	
CSCCN(C)C(=O)C1CCNCC1	159595121	BCUPBQIFURAGTA-UHFFFAOYSA-N	216.350	0.807	70	20	BCID	
N[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@H](C2)N3)C1	159876665	WGYNSLZUNFDUPW-KXNHARMFSA-N	237.347	0.467	70	20	BCID	
COC[C@H](O)CCNC(=O)C1(C)CC1	161020244	ISSGZZWSXXNVFK-MRVPVSSYSA-N	201.266	0.300	70	20	BCID	
CNC(=O)[C@@H](C)NC(=O)C[C@H](C)c1ccncc1	161296506	XDLMJCCNPRYNLC-VHSXEESVSA-N	249.314	0.826	70	20	BCID	
CSCCCNC(=O)N[C@H]1CCOC1	159410293	IWDAJSPEAZELIB-QMMMGPOBSA-N	218.322	0.828	70	20	BCID	
CC[C@H](COC)NS(=O)(=O)[C@@H](C)COC	160324748	VHHYPNWYFPVEBT-DTWKUNHWSA-N	239.337	0.366	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@H]1CCCCN1	160419108	GRYMBTLQJAILID-SNVBAGLBSA-N	227.352	0.762	70	20	BCID	
C[C@@H]1OCC[C@@H]1NC(=O)NCCn1ccnc1	160616388	NSQDZUYQFYVOLN-UWVGGRQHSA-N	238.291	0.360	70	20	BCID	
C[C@@H]1CN(S(=O)(=O)Cl)CCN1C	167354914	AAHJVXXTXILKQW-ZCFIWIBFSA-N	212.702	0.106	70	20	BCID	
CCOC(=O)CCN(CC)[C@H]1CCNC1	218257499	TXBAGEXADWVXRX-JTQLQIEISA-N	214.309	0.623	70	20	BCID	
CCONC(=O)c1cc(S(=O)(=O)F)c[nH]1	1345450783	DTOMIASNIJLBLG-UHFFFAOYSA-N	236.224	0.354	70	20	BCID	
Cn1nccc1/C=C/C(=O)N1CCC[C@H]1CN	160350185	YJGIHJQADFINQS-ZWNMCFTASA-N	234.303	0.383	70	20	BCID	
CN(C)CCCNC(=O)[C@@H]1CCCCO1	160972421	MTFUHSFFHNTJFR-JTQLQIEISA-N	214.309	0.623	70	20	BCID	
CC[C@H](N)C(=O)Nc1cnn(CC(F)F)c1	160990794	DKRWGCSPXHHVPR-ZETCQYMHSA-N	232.234	0.824	70	20	BCID	
C[C@H]1CCC[C@H](OCC(=O)N2CC(O)C2)C1	161483818	WVQATBYKJHFYPS-ONGXEEELSA-N	227.304	0.785	70	20	BCID	
O=S(=O)(Cl)C[C@@H]1CCCCS1(=O)=O	168026138	LFTCZNOUPDKMPC-LURJTMIESA-N	246.737	0.522	70	20	BCID	
CN(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C	217704099	FAMKQPMTRRRBJT-ZJUUUORDSA-N	211.309	0.837	70	20	BCID	
CCOC(CN(C)CC(=O)OC)OCC	159563897	UCWLZBKAEYDDDT-UHFFFAOYSA-N	219.281	0.490	70	20	BCID	
CC[C@H]1CCC[C@H]1NC(=O)CNC(C)=O	159577118	KUIMLLUHCPFZJN-VHSXEESVSA-N	212.293	0.817	70	20	BCID	
CSCCN(C)C(=O)[C@@H]1CC[C@@H](N)C1	160014421	DUZDLFSVFHISNE-RKDXNWHRSA-N	216.350	0.935	70	20	BCID	
CS(=O)(=O)N1CCC[C@@H](N2CCCC2)CC1	160117805	VYTCFLCDXHPOHV-LLVKDONJSA-N	246.376	0.896	70	20	BCID	
CC(C)(C)NCC(=O)N[C@@]1(C)CCOC1	160213979	QYHHKCASLRBEFI-NSHDSACASA-N	214.309	0.670	70	20	BCID	
CNC[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O	160871633	SYSNYAGFTIVXDF-GUBZILKMSA-N	241.335	0.002	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@@H](C)SC	161333664	KYNWAQSGJNAPJA-SFYZADRCSA-N	221.322	0.252	70	20	BCID	
Cn1cnc(S(=O)(=O)Cl)c1[N+](=O)[O-]	100448491	NMZXYLQSGVDMQS-UHFFFAOYSA-N	225.613	0.256	70	20	BCID	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)C1(N)CC1	159539450	ICRRUAFBOTXJBB-YIZRAAEISA-N	224.304	0.407	70	20	BCID	
O=C(CNC1CC1)NCC1CCSCC1	159618169	ZXYJSRBXEQFDQY-UHFFFAOYSA-N	228.361	0.998	70	20	BCID	
CCCCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	160241147	CIOZNSNTTAZSEJ-DTWKUNHWSA-N	243.307	0.119	70	20	BCID	
O=C(NCC1CCN(CCO)CC1)C1CCC1	160686946	IREBLDXZOPDDNM-UHFFFAOYSA-N	240.347	0.607	70	20	BCID	
C[C@@H](N)C(=O)NCc1ccccc1OCCO	161249345	FQEDIHCPYSBOHJ-SECBINFHSA-N	238.287	0.021	70	20	BCID	
N#CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1528213886	ASTKCKSZJTTXJD-UHFFFAOYSA-N	245.235	0.316	70	20	BCID	
C[C@@H](C(=O)NC1(CO)CC1)n1cccn1	159915359	OULHVXMYFQYTPJ-QMMMGPOBSA-N	209.249	0.085	70	20	BCID	
CC(C)C[C@H](NC(=O)CCN)C(=O)OC(C)C	160146649	PNKYULSJJBTLJH-JTQLQIEISA-N	244.335	0.818	70	20	BCID	
CCCNS(=O)(=O)N[C@H]1CCCC[C@H]1O	160676558	KLOHHEQCOMWIBZ-DTWKUNHWSA-N	236.337	0.124	70	20	BCID	
CO[C@@H](C)C(=O)N(C)C1CCOCC1	160801410	KERIATUIWQSPIE-QMMMGPOBSA-N	201.266	0.659	70	20	BCID	
CCN(CC)CCCNC(=O)N[C@H]1CCOC1	159439586	MCNFFJJSSIAZJZ-NSHDSACASA-N	243.351	0.806	70	20	BCID	
CCC1(O)CN(C(=O)c2ocnc2C)C1	159524709	OXVJXCWLSVPZDA-UHFFFAOYSA-N	210.233	0.580	70	20	BCID	
CN(C)c1ccc(CN2CCC[C@@H]2C(N)=O)cn1	160367036	RHBYARTUUCEODM-LLVKDONJSA-N	248.330	0.597	70	20	BCID	
COC(=O)[C@H]1CSCCN1C(C)=O	217069504	LOWKGCFMBSAXFX-SSDOTTSWSA-N	203.263	0.123	70	20	BCID	
Cc1conc1NC(=O)C(=O)NC1CCCC1	159954181	BPXNJPPBYGAOAA-UHFFFAOYSA-N	237.259	0.980	70	20	BCID	
COCCS(=O)(=O)NC1(C)CCOCC1	161004380	BIYSTZFFNRUEHC-UHFFFAOYSA-N	237.321	0.121	70	20	BCID	
CC(C)OCC(=O)N1CCC[C@@](C)(O)C1	161028084	VBWZWEJAXSEONI-LLVKDONJSA-N	215.293	0.785	70	20	BCID	
O=C(C[C@@H]1C=CCC1)NC1[C@@H]2CNC[C@@H]12	217768358	GTECAQFUUNSVOM-OPRDCNLKSA-N	206.289	0.677	70	20	BCID	
CSCCN(C)C(=O)[C@@H]1CCN[C@@H]1C	160009931	FHATUBGYWJAANV-RKDXNWHRSA-N	216.350	0.806	70	20	BCID	
CCCC1(CNC(=O)[C@@H]2CCC(=O)N2)CC1	160652352	LQWPSGKBLDZAPP-VIFPVBQESA-N	224.304	0.962	70	20	BCID	
COC(=O)[C@H]1CCCCN1C(=O)CN(C)C	218032296	ZOKDLBCSZJCBHS-SECBINFHSA-N	228.292	0.102	70	20	BCID	
CC[C@@](C)(O)CNS(=O)(=O)[C@@H](C)COC	160308101	GEEWPLJFSPTTHD-DTWKUNHWSA-N	239.337	0.102	70	20	BCID	
CN(CCC1CCOCC1)C(=O)[C@H]1CCNC1	160355625	HITVSQOCGZLQAS-LBPRGKRZSA-N	240.347	0.871	70	20	BCID	
CC(C)NCCC(=O)NCC[C@@H](O)C(C)C	160897454	KCKMNZVBPPJZSH-LLVKDONJSA-N	230.352	0.898	70	20	BCID	
C[C@@H](SCC(=O)OC(C)(C)C)C(N)=O	160982711	QRKKSZPCABGHSC-ZCFIWIBFSA-N	219.306	0.935	70	20	BCID	
CC(C)[C@@H](C(=O)N1CCC[C@@H](O)C1)N(C)C	159823345	WZFJGXVFYPPOBU-MNOVXSKESA-N	228.336	0.556	70	20	BCID	
C[C@@H](CO)CNC(=O)CCCn1ccnc1	160443702	STQXXNWUGPJPLV-SNVBAGLBSA-N	225.292	0.408	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCCO1	160478421	VHFVIKYYIJLFFW-RKDXNWHRSA-N	229.276	0.623	70	20	BCID	
CN(CCn1ccnc1)Cc1cnn(C)c1	161061884	ARBJMZXEFAKCMW-UHFFFAOYSA-N	219.292	0.749	70	20	BCID	
CCOC(=O)CN(C(=O)CN(C)C)C(C)C	218011918	VVTGYKACSFDAPP-UHFFFAOYSA-N	230.308	0.348	70	20	BCID	
CC#CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1527976405	DBPQJENDQQUJHB-UHFFFAOYSA-N	244.247	0.426	70	20	BCID	
COCCC1(C(=O)NC[C@H]2CCN(C)C2)CC1	159544175	WQYYFAZSVMFCBW-LLVKDONJSA-N	240.347	0.871	70	20	BCID	
Cc1nc(CN(C)C[C@H]2CCC[C@@H]2O)no1	159565516	VFEWCKWUBHWCQP-ZJUUUORDSA-N	225.292	0.971	70	20	BCID	
Cc1cccc(CCNC(=O)CCNC(N)=O)c1	160299384	MEVTUHMDXHQURW-UHFFFAOYSA-N	249.314	0.712	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)CNCC2CC2)C1	160963102	RWLDOJFYRDZNCF-GHMZBOCLSA-N	225.336	0.372	70	20	BCID	
CN1CCC[C@H]1CN(C)S(=O)(=O)Cl	167363324	XUXKBOCXLZLULG-ZETCQYMHSA-N	226.729	0.496	70	20	BCID	
CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(N)=O	218018636	DZXRHLZMFDLEPZ-DJLDLDEBSA-N	200.282	0.407	70	20	BCID	
CC(C)N1CCO[C@H](CS(=O)(=O)Cl)C1	157447981	JBOULDJLPGPDJX-QMMMGPOBSA-N	241.740	0.664	70	20	BCID	
C[C@H](O)C[C@@H]1CCCN1CCCCO	159384021	SEMHJSUWQHWTMA-QWRGUYRKSA-N	201.310	0.994	70	20	BCID	
CSCCCC(=O)N[C@H]1CCN(C(C)=O)C1	159843492	KKGVKWTZYUFVEL-JTQLQIEISA-N	244.360	0.867	70	20	BCID	
NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1	160998829	ZNMQTBRCWOQTIG-UWVGGRQHSA-N	240.303	0.279	70	20	BCID	
CC(C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337725159	GHSBUIDOOBDSEJ-UHFFFAOYSA-N	234.252	0.811	70	20	BCID	
CC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1340379352	BWIIYTNEZSEYCY-UHFFFAOYSA-N	246.263	0.955	70	20	BCID	
CCOCCNC(=O)N1CCCN(CC)CC1	159592491	LXZCTISLVFIMQJ-UHFFFAOYSA-N	243.351	0.760	70	20	BCID	
CCCS(=O)(=O)NC[C@@H](C)CNC	160140923	QNQFBAYFUXNQOY-QMMMGPOBSA-N	208.327	0.171	70	20	BCID	
CC(C)N(C)C(=O)CS[C@H](C)CO	160781807	CWESRPLEQDFKBH-MRVPVSSYSA-N	205.323	0.967	70	20	BCID	
CCC[C@H](O)CNC(=O)[C@@H]1CC[C@@H](C)O1	218064925	FOCJRZTXFAOXKD-UTLUCORTSA-N	215.293	0.831	70	20	BCID	
CCC[C@@H](C(=O)O)S(=O)(=O)Cl	147338743	GOKBRRCWWRNQSO-BYPYZUCNSA-N	200.643	0.808	70	20	BCID	
CN(CCNC(=O)N[C@@H]1CCOC1)C1CC1	159423943	KIMNDWJKZWKTKA-SECBINFHSA-N	227.308	0.169	70	20	BCID	
COC(=O)CCCN1CC[C@H](NC(C)=O)C1	160288900	HBWQFFCYZKLDKN-JTQLQIEISA-N	228.292	0.150	70	20	BCID	
CCOC(=O)c1ccc(CNC(=O)[C@@H](C)N)o1	159574960	WGUZCDSHJBHXMM-SSDOTTSWSA-N	240.259	0.420	70	20	BCID	
COC(=O)CCNC(=O)[C@@H]1CCC(=O)C[C@H]1C	159699199	QWFVBNNKCIZAOG-PSASIEDQSA-N	241.287	0.671	70	20	BCID	
CC[C@]1(C)C[C@@H]1C(=O)NCC(=O)NC1CC1	160160515	JPXUZGMBFDMBLB-BXKDBHETSA-N	224.304	0.817	70	20	BCID	
NC[C@@H]1CCCN1C(=O)CC[C@@H]1CCOC1	160294252	ASLYLLDQPBYXPN-MNOVXSKESA-N	226.320	0.753	70	20	BCID	
CN[C@H]1CCN(C(=O)[C@@H](C)COC)C1	160582492	BZVBCBWASKJMSU-IUCAKERBSA-N	200.282	0.089	70	20	BCID	
COC[C@@H](O)CNC(=O)[C@H](C)CSC	159479653	AQIFQIXTJRVOHJ-SFYZADRCSA-N	221.322	0.109	70	20	BCID	
CC[C@@]1(C)C[C@@H]1C(=O)NCC(=O)N(C)C	159908057	JWYIQNIEANFFJA-KCJUWKMLSA-N	212.293	0.627	70	20	BCID	
CSC[C@@H](C)NC(=O)N[C@@H](C)CCO	160424973	BXYMOTVNAVUZSU-JGVFFNPUSA-N	220.338	0.808	70	20	BCID	
CC1(C)C(=O)NCCN1CCOCC1CC1	160493196	ZWHDKZAKPYJOHE-UHFFFAOYSA-N	226.320	0.623	70	20	BCID	
COCCN(C)CCNC(=O)NC1(C)CCC1	160572627	SJBYIWMEXLSUIV-UHFFFAOYSA-N	243.351	0.806	70	20	BCID	
CCCC[C@H](COC)NC(=O)[C@H](C)N	161164667	KJOGZEUCAVLDGE-DTWKUNHWSA-N	202.298	0.655	70	20	BCID	
CC[C@H](O)CCNC(=O)[C@H]1CC[C@@H](C)O1	218088341	IRNLAULKJUOMMU-KXUCPTDWSA-N	215.293	0.831	70	20	BCID	
O=C1NCCCn2cc(S(=O)(=O)Cl)cc21	100504434	HCRYOQHKHDRXGR-UHFFFAOYSA-N	248.691	0.549	70	20	BCID	
CC[C@H](SC)C(=O)NCC[C@H](O)COC	160822176	CBVDKZVHBOLOJA-IUCAKERBSA-N	235.349	0.642	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)c2cnccn2)C1	161235595	PRWFLCFYEZBFGR-RKDXNWHRSA-N	220.276	0.476	70	20	BCID	
Cc1cc(C(=O)N2CC[C@@H]3CNC[C@@H]32)n(C)n1	217913443	GDNRCYCUZRFTMF-KOLCDFICSA-N	234.303	0.162	70	20	BCID	
COCCN(C(=O)N[C@@H]1CCOC1)C1CC1	159566859	IUBQGBLZPOXTSC-SECBINFHSA-N	228.292	0.596	70	20	BCID	
C[C@@H](Oc1cccnc1)C(=O)NCCCN	160129797	MJYRGMGHGMNROJ-SECBINFHSA-N	223.276	0.314	70	20	BCID	
O=S1(=O)CCC[C@@H](S(=O)(=O)Cl)C1	111860390	OQPDTERSQULOEY-RXMQYKEDSA-N	232.710	0.132	70	20	BCID	
CCOCCO[C@@H](C)C(=O)N(C)[C@@H](C)CO	160476257	MFBIUFYAZINVAI-UWVGGRQHSA-N	233.308	0.267	70	20	BCID	
C[C@H]1CN(C(=O)[C@]2(C)CCCNC2)C[C@@H](C)N1	161276864	DAEGJXZGXVQMGT-NTZNESFSSA-N	239.363	0.585	70	20	BCID	
CCN(CCCO)C(=O)COC(C)C	160294110	SHUMLIPLQVZWCO-UHFFFAOYSA-N	203.282	0.642	70	20	BCID	
Cc1cnccc1CNC(=O)C1(N)CC1	160614195	WFCGRCVLEWRKGE-UHFFFAOYSA-N	205.261	0.498	70	20	BCID	
C[C@H](CO)SCCn1ccccc1=O	160727409	CERUITJJNQMWCC-SECBINFHSA-N	213.302	0.962	70	20	BCID	
O=C(NCCCn1cccn1)[C@@H]1CCCCO1	161224902	KORSHBIHXNCLFN-NSHDSACASA-N	237.303	0.959	70	20	BCID	
CC[C@H]1CN(S(=O)(=O)Cl)CCO1	59332742	UQTHAOJYYJWWOK-LURJTMIESA-N	213.686	0.581	70	20	BCID	
CSC[C@H](C)NC(=O)N[C@@H]1CCOC1	159411035	DBXICQYJENKJMX-JGVFFNPUSA-N	218.322	0.826	70	20	BCID	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CN	161175683	SAPJRVIHBFCREX-GXSJLCMTSA-N	228.336	0.903	70	20	BCID	
CCS(=O)(=O)N(C)CC[C@H](N)C(C)C	161245408	OGBGZMDUDHJYDZ-VIFPVBQESA-N	222.354	0.641	70	20	BCID	
Cc1cc(C#N)c(=O)n(CCS(=O)(=O)F)c1	883953839	MTIDGIZWAUDVIM-UHFFFAOYSA-N	244.247	0.328	70	20	BCID	
NCC[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1	159992942	OPGJRIICMSAHIK-UWVGGRQHSA-N	212.293	0.363	70	20	BCID	
Cn1ccc(NC(=O)[C@H]2CCCCO2)n1	160237645	ROMKJNMWHOPFGK-MRVPVSSYSA-N	209.249	0.928	70	20	BCID	
COC[C@@H](C)N[C@H](CCO)CSC	160414106	RSLWZFNYDDZSPZ-RKDXNWHRSA-N	207.339	0.725	70	20	BCID	
CN[C@@H](C)C(=O)NC[C@@H](C)N1CCCC1	161069360	QQJRGWGLMJIHPD-ZJUUUORDSA-N	213.325	0.195	70	20	BCID	
Cn1ccc(CN2CC[C@@H](CCN)C2)n1	160062648	CMIANPGMKUTXRG-SNVBAGLBSA-N	208.309	0.591	70	20	BCID	
CCOCCCN1CCNC(=O)[C@@H]1C	160357078	HPXRKOFUYQWWGB-VIFPVBQESA-N	200.282	0.233	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCOC1	160468464	NADMMENXLVZICX-DTWKUNHWSA-N	229.276	0.481	70	20	BCID	
CC(C)S(=O)(=O)CCCN1CCC(N)CC1	217938000	LIRWPTSDDKHTJD-UHFFFAOYSA-N	248.392	0.623	70	20	BCID	
O=c1cncc(Cl)n1CCS(=O)(=O)F	883954071	XXEJRBTZPYGSDA-UHFFFAOYSA-N	240.643	0.196	70	20	BCID	
CC[C@H](COC)NC(=O)N[C@H]1CCOC1	159413692	LDUQOJXNLCPNDD-BDAKNGLRSA-N	216.281	0.500	70	20	BCID	
CC[C@@H](C(=O)N[C@H]1CCN(C(C)=O)C1)N(C)C	159492172	KTGIFPRLOKKALK-QWRGUYRKSA-N	241.335	0.064	70	20	BCID	
CCN1CCN(C(=S)NCCOC)C[C@H]1C	159746877	YJQYRSXGRUNFHA-SNVBAGLBSA-N	245.392	0.533	70	20	BCID	
CNC(=O)CSc1ncnc2[nH]cnc12	161385164	YOBBIIWRGALJOK-UHFFFAOYSA-N	223.261	0.191	70	20	BCID	
C[C@@H](CNC(=O)c1nnc[nH]1)N1CCCC1	161472911	RNDXTJVRNZFYRJ-QMMMGPOBSA-N	223.280	0.019	70	20	BCID	
CCNC(=O)N(C)CC1(O)CCOCC1	161484422	LVCRANXPNPKSGW-UHFFFAOYSA-N	216.281	0.189	70	20	BCID	
CCn1cnnc1CNC(=N)NC1CCCC1	218000535	JBXQMTKSSZHZTF-UHFFFAOYSA-N	236.323	0.855	70	20	BCID	
CC(C)C(=O)N1CCS(=O)(=O)C(C)(C)C1	159968381	QOZWJDXPBBPRAI-UHFFFAOYSA-N	233.333	0.678	70	20	BCID	
Cc1nccc(C(=O)N[C@@H](CCO)C(C)C)n1	160656442	NTOHXROFOOAYIV-JTQLQIEISA-N	237.303	0.922	70	20	BCID	
CC(C)N1CC[C@H](N(C)C[C@@H](C)O)C1=O	159398373	JRPKFBNPQSMOOR-ZJUUUORDSA-N	214.309	0.308	70	20	BCID	
CCC[C@@H](C)CC(=O)NC[C@H](O)COC	159440713	QDNXEQDLKNJCSG-ZJUUUORDSA-N	217.309	0.936	70	20	BCID	
C[C@@]1(C(=O)NCCCCN)CCCCN1	159592335	IHJJMSVXLXTLAZ-NSHDSACASA-N	213.325	0.374	70	20	BCID	
CCC[C@H](O)CNC[C@H](O)COCC	217877561	RIUKEFHHNCSFGL-UWVGGRQHSA-N	205.298	0.134	70	20	BCID	
CCOCCNC(=O)c1cccc(=O)n1C	160010977	RRVLCWXAZCUWOD-UHFFFAOYSA-N	224.260	0.152	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@]1(F)CCNC1	160559705	MGAYXONGOYXVMO-NSHDSACASA-N	231.315	0.322	70	20	BCID	
Cc1nccn1CCN(C)CC[C@@H](C)O	160390656	NIXUAKZSOGWGDY-SNVBAGLBSA-N	211.309	0.894	70	20	BCID	
CN[C@@H]1CCN(C(=O)c2noc3c2CCCC3)C1	160600870	CKVWXIJEAKZGRC-SECBINFHSA-N	249.314	0.987	70	20	BCID	
CCOCCC1(C(=O)NCC(=O)NC)CCC1	160654429	WCQGLJLKFRJPBG-UHFFFAOYSA-N	242.319	0.446	70	20	BCID	
Cc1noc(CN2CC[C@H](N)[C@@H](C)C2)n1	218609818	UYYRFRXREPVRIA-CBAPKCEASA-N	210.281	0.547	70	20	BCID	
COCCNC(=O)N1CCC[C@@H]([C@H](C)O)C1	160896901	BFVREESVIFQILE-VHSXEESVSA-N	230.308	0.435	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)COCC2CC2)C1	159800473	KRSZRRIPQPSNAU-NSHDSACASA-N	240.303	0.150	70	20	BCID	
Cn1cncc1CNC[C@@H](O)C(F)(F)F	218131129	XULNLQQXILNBCG-SSDOTTSWSA-N	223.198	0.433	70	20	BCID	
Cc1ccc(CC(=O)NC[C@H](C)CO)cn1	160525730	HPUDZYLNKHSWCG-VIFPVBQESA-N	222.288	0.677	70	20	BCID	
C[C@@]1(CNC(=O)C2(N)CC2)CCCC[C@@H]1O	160838148	QCJYGBNVSJMBAA-ONGXEEELSA-N	226.320	0.535	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C2CC2)C1	159856342	RZXLKWGRQXZFGK-QJPTWQEYSA-N	236.315	0.770	70	20	BCID	
CCN(C)C(=O)CNCc1nccs1	217470180	RWJQGQTWBXDNKN-UHFFFAOYSA-N	213.306	0.711	70	20	BCID	
CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]1CCCO1	160032272	ISHSALNMGUEPJW-GUBZILKMSA-N	215.293	0.689	70	20	BCID	
CC[C@H](C)OCC(=O)N(C)C[C@@H](C)C(=O)NC	160412903	GLQODIMQTSHYPW-ZJUUUORDSA-N	244.335	0.642	70	20	BCID	
C[C@@H](N)C(=O)N[C@H]1CCN(c2ccccc2)C1=O	159553825	WJKWNVWLWYXCNM-KOLCDFICSA-N	247.298	0.255	70	20	BCID	
C[C@]1(C(=O)Nc2cn[nH]c2)CCCCN1	159570152	UKBVWGXHPBWEGO-SNVBAGLBSA-N	208.265	0.880	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCCO1	160478569	VHFVIKYYIJLFFW-DTWKUNHWSA-N	229.276	0.623	70	20	BCID	
CC1(NC(=O)[C@@H]2CCOC2)CCNCC1	160572972	GEZYTMMYGWHRMA-SECBINFHSA-N	212.293	0.281	70	20	BCID	
C[C@@]1(C(=O)N2CCC[C@@H](N)C2)CCCNC1	161262908	UTDZLHVVMSUQDZ-ZYHUDNBSSA-N	225.336	0.326	70	20	BCID	
NCCC(=O)NC[C@@H](O)c1ccsc1	161499119	ZGVDPAWGTQBIDF-MRVPVSSYSA-N	214.290	0.247	70	20	BCID	
Cc1cnc(CS(=O)(=O)Cl)cn1	103595520	OTMWGHUFSGNUAH-UHFFFAOYSA-N	206.654	0.854	70	20	BCID	
CC(C)S(=O)(=O)CCCN1CCOC[C@H]1C	160793574	XFVCXYAEOJWIGS-LLVKDONJSA-N	249.376	0.920	70	20	BCID	
COCC(=O)N1CCc2ncncc2C1	218053780	QAPKCSGIEHMVNT-UHFFFAOYSA-N	207.233	0.008	70	20	BCID	
Cc1cc(=O)cc(C)n1CCS(=O)(=O)F	1333607801	NBMJYSLCCGSECR-UHFFFAOYSA-N	233.264	0.764	70	20	BCID	
NCC(=O)NC[C@@H]1CCc2ccccc21	159727368	KAKCTKQIWIKXAV-JTQLQIEISA-N	204.273	0.791	70	20	BCID	
COC(=O)[C@H]1CN(CCOCC2CC2)CCO1	160511991	PDNUJNKDVUMGRF-LLVKDONJSA-N	243.303	0.287	70	20	BCID	
CCC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O	160716265	JUPDKULVXNKRCE-BDAKNGLRSA-N	248.348	0.231	70	20	BCID	
C[C@]1(C(=O)NCC2CCNCC2)CCCNC1	161267464	RLYZCFWYVBDMKB-ZDUSSCGKSA-N	239.363	0.492	70	20	BCID	
C[C@H](O)[C@H]1CCN(CCCCCO)C1	159425988	IIQJUYHECVVMDI-QWRGUYRKSA-N	201.310	0.852	70	20	BCID	
CO[C@@H](C)C(=O)NCCc1cscn1	160618975	JTOFNDKOMPRKLD-ZETCQYMHSA-N	214.290	0.837	70	20	BCID	
COCCNC(=O)N1CCC[C@H]([C@@H](C)O)C1	160897261	BFVREESVIFQILE-ZJUUUORDSA-N	230.308	0.435	70	20	BCID	
COC[C@H](C)CC(=O)NC1(CO)CCC1	161118615	NKAPEBVPJPNMEX-SECBINFHSA-N	215.293	0.690	70	20	BCID	
CCNCCNC(=O)[C@@]1(C)CCCNC1	161274954	ILFPCJRMAFLYPP-NSHDSACASA-N	213.325	0.102	70	20	BCID	
CC1(NC(=O)[C@@H]2CCC(=O)NC2)CCC1	160017405	UPOWIMIRXKUJPL-MRVPVSSYSA-N	210.277	0.571	70	20	BCID	
CC(C)N(C)CC(=O)N1CCC[C@@H]1CN	160143142	AWXKBNJUTPEDEM-SNVBAGLBSA-N	213.325	0.276	70	20	BCID	
C[C@@]1(NC(=O)N[C@H]2CCOC2)CCOC1	160220456	WJVYKNOOTMJSIS-WCBMZHEXSA-N	214.265	0.254	70	20	BCID	
CC[C@](C)(O)CNS(=O)(=O)[C@H](C)COC	160308218	GEEWPLJFSPTTHD-BDAKNGLRSA-N	239.337	0.102	70	20	BCID	
CCCC[C@H](SC[C@H](O)CO)C(=O)OC	160815206	ZWHQRKADJVUKFG-BDAKNGLRSA-N	236.333	0.805	70	20	BCID	
CC[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C)C	160886930	IPFNOAPAWPXEJJ-MNOVXSKESA-N	230.352	0.850	70	20	BCID	
COCCC(=O)N[C@H](C)Cc1cc(C)[nH]n1	161384128	FYMJXIPEUHBIQT-MRVPVSSYSA-N	225.292	0.802	70	20	BCID	
CC[C@@H]1CN(S(=O)(=O)Cl)CCO1	59332740	UQTHAOJYYJWWOK-ZCFIWIBFSA-N	213.686	0.581	70	20	BCID	
C[C@]1(O)CCCN(C(=O)c2csnn2)C1	161040036	AVBNFUODYIHIDF-VIFPVBQESA-N	227.289	0.525	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@H](C)SC	161333538	KYNWAQSGJNAPJA-YUMQZZPRSA-N	221.322	0.252	70	20	BCID	
COCCCC(=O)N[C@H]1CCN(C(C)=O)C1	159617766	CZXHDQRNYGBPSN-JTQLQIEISA-N	228.292	0.150	70	20	BCID	
CCN1CCN(C(=S)NC)C[C@H]1C	159746591	PGCJMSIMADDEBU-MRVPVSSYSA-N	201.339	0.517	70	20	BCID	
CC(C)(N)CNC(=O)CCn1ccccc1=O	160110842	IRFLNWNHZIAPIY-UHFFFAOYSA-N	237.303	0.092	70	20	BCID	
CN[C@@H]1CCN(C(=O)CCOCC(C)C)C1	160525258	NHVDZQGINIHARS-LLVKDONJSA-N	228.336	0.869	70	20	BCID	
C[C@@H]1CN(Cc2nncn2C)[C@H](C)CO1	160766949	SQKUWXPMWODUHZ-RKDXNWHRSA-N	210.281	0.424	70	20	BCID	
C[C@H]1C[C@H](NCCN(C)C)CN1C1CC1	160851915	DKVSOSBBUKYKRS-QWRGUYRKSA-N	211.353	0.763	70	20	BCID	
CCS(=O)(=O)N(C)CC[C@@H](N)C(C)C	161245540	OGBGZMDUDHJYDZ-SECBINFHSA-N	222.354	0.641	70	20	BCID	
O=C(O)[C@H]1CCCN(S(=O)(=O)Cl)C1	217793099	KSQQJGJTJDQCLO-YFKPBYRVSA-N	227.669	0.267	70	20	BCID	
CCCS(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12	218059988	FZWXPSWBHXFUIQ-MNOVXSKESA-N	246.376	0.943	70	20	BCID	
CCCCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1	160241543	CIOZNSNTTAZSEJ-BDAKNGLRSA-N	243.307	0.119	70	20	BCID	
CCN(CCCO)C(=O)c1ccccn1	160296018	HIBWYSXOFHCCJH-UHFFFAOYSA-N	208.261	0.926	70	20	BCID	
C[C@@H](O)CCN(C)Cc1cnc(N)s1	161285995	FNYMDCWCGKARFA-SSDOTTSWSA-N	215.322	0.928	70	20	BCID	
CCc1ncnc(NCCc2ncn[nH]2)c1F	218068113	MBSZBZXNZVYFEQ-UHFFFAOYSA-N	236.254	0.951	70	20	BCID	
Cn1cc(CN2CC[C@@H](CCN)C2)cn1	160047440	AFMPHSPJSLTTKE-SNVBAGLBSA-N	208.309	0.591	70	20	BCID	
CSCC[C@@H](N)C(=O)NCC[C@H](O)C(C)C	160899347	IAGQKMSOXULHGX-ZJUUUORDSA-N	248.392	0.590	70	20	BCID	
COC[C@@H](C)CC(=O)NC1(CO)CCC1	161118485	NKAPEBVPJPNMEX-VIFPVBQESA-N	215.293	0.690	70	20	BCID	
CCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](O)C1	217720180	JWKFYPYHMMHFJY-BBBLOLIVSA-N	214.309	0.534	70	20	BCID	
CC[C@@H](CCO)NC(=O)[C@H]1CCCNC1	217931258	JRVYGEPMAJQCKV-UWVGGRQHSA-N	214.309	0.263	70	20	BCID	
COCCOCC(=O)NCCSC	218075316	CXNMOVNYCXAYBQ-UHFFFAOYSA-N	207.295	0.129	70	20	BCID	
C[C@H](CO)CNC(=O)c1cc(N(C)C)ccn1	159587760	TXUCGPZNZIHOMM-VIFPVBQESA-N	237.303	0.506	70	20	BCID	
CC(=O)N[C@H](C)C(=O)NCC1(C2CC2)CC1	159697935	MXNZECZTLLFJFF-MRVPVSSYSA-N	224.304	0.817	70	20	BCID	
CN1CCN(C(=O)N[C@H]2CCOC2)CC1(C)C	160574406	SGAZXWPVIQEZDA-JTQLQIEISA-N	241.335	0.511	70	20	BCID	
O=C(CCn1cncn1)NOCc1cccnc1	160854536	XYUBFZCLRBXOND-UHFFFAOYSA-N	247.258	0.311	70	20	BCID	
C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](N)C1	217529217	AASLYYGOIAFZPA-DTWKUNHWSA-N	211.309	0.077	70	20	BCID	
CCNC(=O)CN1CCC[C@@H]1C[C@@H](C)O	159376673	DAUYJDYYNVAXQJ-NXEZZACHSA-N	214.309	0.358	70	20	BCID	
NC[C@@H]1CN(C(=O)c2ccsc2)CCO1	159511011	ZSRDJXPVGJBZDL-SECBINFHSA-N	226.301	0.548	70	20	BCID	
CC(C)C[C@H]1COCCN1C(=O)[C@@H](C)N	159629665	PTFOPGHVJZZTNE-ZJUUUORDSA-N	214.309	0.607	70	20	BCID	
CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)CO	160500526	AQVBPAVBZZGVSY-SNVBAGLBSA-N	244.335	0.378	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)CCOC	160847755	UPTMPTCGIAAIRS-MRVPVSSYSA-N	217.265	0.481	70	20	BCID	
Cc1cc(C[C@H](C)NC(=O)c2cnn(C)c2)n[nH]1	161386562	MWNYLMKTKNHOQP-QMMMGPOBSA-N	247.302	0.813	70	20	BCID	
CCCOCCOCCS(=O)(=O)Cl	114258100	NHCATXKNGTYIPX-UHFFFAOYSA-N	230.713	0.998	70	20	BCID	
CCNC(=O)CNC(=O)c1[nH]c(C)cc1C	159473972	UYOGRDVBHSCZOL-UHFFFAOYSA-N	223.276	0.497	70	20	BCID	
CC(C)CC(=O)NCC1CCN(CCO)CC1	160696636	LVDJHLWCINECLE-UHFFFAOYSA-N	242.363	0.853	70	20	BCID	
O=S(=O)(Cl)N1CCN2CCC[C@@H]2C1	161762559	RAQWXKLZGPKTKL-SSDOTTSWSA-N	224.713	0.250	70	20	BCID	
CO[C@@H]1CCCN(S(=O)(=O)Cl)C1	230306109	RADKOVLTRDYUGV-ZCFIWIBFSA-N	213.686	0.581	70	20	BCID	
CCCNCCNC(=O)c1ocnc1C	159558821	JZAMILMSQAWLJT-UHFFFAOYSA-N	211.265	0.712	70	20	BCID	
CC(=O)N[C@H]1CCN(c2cc(F)ncn2)C1	160314201	FRUTTZWJYNMFHJ-QMMMGPOBSA-N	224.239	0.331	70	20	BCID	
CC[C@@](C)(O)CN(C)C[C@@H](C)C(=O)NC	161395881	VOLYCBQSMGIPJN-MWLCHTKSSA-N	216.325	0.461	70	20	BCID	
CC(=O)NCC(=O)N1[C@H]2C=CC[C@H]1CC2	218746265	GTRQQAXSCQQJPI-UWVGGRQHSA-N	208.261	0.442	70	20	BCID	
O=C(NC1CCOCC1)N[C@@H]1CCOC1	159386390	BXSHQWIQIIYVMO-SECBINFHSA-N	214.265	0.254	70	20	BCID	
CSC[C@@H](C)NC(=O)N[C@@H]1CCOC1	159411172	DBXICQYJENKJMX-HTQZYQBOSA-N	218.322	0.826	70	20	BCID	
CCOCCN(CC)C(=O)[C@H](C)OC	160612985	YJRSCKLZLZPWBS-VIFPVBQESA-N	203.282	0.906	70	20	BCID	
CCC[C@H](O)CNCCS(=O)(=O)CC	217875899	NDHHHMAKUVUCDT-VIFPVBQESA-N	223.338	0.172	70	20	BCID	
Cc1cccc(C(=O)NCC(=O)N(C)C)c1F	159393813	LHRJKKZBIBMMFR-UHFFFAOYSA-N	238.262	0.952	70	20	BCID	
CCS(=O)(=O)CCN1CC[C@H](CCN)C1	160047607	LEYKPBXENQIFNN-JTQLQIEISA-N	234.365	0.092	70	20	BCID	
CC(C)OCC(=O)N[C@H](C)[C@H](C)CO	160249209	NUNYTHPMVDTZCF-RKDXNWHRSA-N	203.282	0.545	70	20	BCID	
Cc1cc(C(=O)N[C@H]2CCC[C@@H](N)C2)no1	161145800	NSGDOZSXZVOHQG-BDAKNGLRSA-N	223.276	0.983	70	20	BCID	
COCCCC(=O)N[C@H]1CCC[C@@H](N)C1	161499340	XKPSVUATJPUFGX-ZJUUUORDSA-N	214.309	0.799	70	20	BCID	
C[C@H](N)C(=O)NCC1(C(=O)N(C)C)CCCC1	160045095	JDDIDTVFXRZBGP-VIFPVBQESA-N	241.335	0.098	70	20	BCID	
CCc1nnc(SCCn2ccnc2)n1N	160160216	JIJYLMKKPVZHQC-UHFFFAOYSA-N	238.320	0.543	70	20	BCID	
CCOCCO[C@H](C)C(=O)N(C)[C@@H](C)CO	160476373	MFBIUFYAZINVAI-VHSXEESVSA-N	233.308	0.267	70	20	BCID	
Cn1cccc(NC(=O)[C@H]2CCCNC2)c1=O	159676278	HQKLFBGYVPBSED-VIFPVBQESA-N	235.287	0.323	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2)C1	161414986	NECALYFIFRQPRB-BBBLOLIVSA-N	211.309	0.125	70	20	BCID	
C[C@H]1NCCC[C@H]1NC(=O)c1ccon1	160535521	CEEITNOTOWDMFU-HTQZYQBOSA-N	209.249	0.545	70	20	BCID	
C[C@H](CC(=O)N(C)C)NC[C@H]1CCCC[C@@H]1O	160580548	JBFDGPMBUZFLNS-UTUOFQBUSA-N	242.363	0.994	70	20	BCID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(N)=O	160595927	LHUMHLVWSPOOPM-BDAKNGLRSA-N	229.324	0.938	70	20	BCID	
CCCC[C@H](CN)NS(=O)(=O)NC(C)C	160931741	CQCZUPRSZBPWFV-SECBINFHSA-N	237.369	0.336	70	20	BCID	
CC[C@H](CCO)NC1CCS(=O)(=O)CC1	217699121	HBJBENLHBNBVMG-SECBINFHSA-N	235.349	0.314	70	20	BCID	
CCCOCC(=O)NCC[C@H](O)CC	218095603	JFIPXYQISVRCME-SECBINFHSA-N	203.282	0.690	70	20	BCID	
C[C@H]1C[C@@H]1C(=O)N1CC(CS(=O)(=O)F)C1	1616187039	UWQHKTMXPDMWAG-XPUUQOCRSA-N	235.280	0.400	70	20	BCID	
CC(C)CNC(=O)CONC(=O)C(C)(C)C	218347509	ARYSLVAKCZRTON-UHFFFAOYSA-N	230.308	0.853	70	20	BCID	
CC[C@H](CCO)NC(=O)CCCCO	218544963	XCVPTYUWSWUWTL-SECBINFHSA-N	203.282	0.426	70	20	BCID	
COCCN(C(=O)N[C@H]1CCOC1)C1CC1	159567000	IUBQGBLZPOXTSC-VIFPVBQESA-N	228.292	0.596	70	20	BCID	
NC1(CNC(=O)C[C@@H]2CCCN2)CCCCC1	159716354	XLBZRROBFKIKIB-NSHDSACASA-N	239.363	0.906	70	20	BCID	
Cn1ccc(NC(=O)N2CCC[C@@](C)(O)C2)n1	160757375	CKTOQDVLEVOPSA-LLVKDONJSA-N	238.291	0.799	70	20	BCID	
CNC(=O)C(C)(C)CNc1cc(C)ncn1	161091879	OBCPRRLNHMEFNB-UHFFFAOYSA-N	222.292	0.969	70	20	BCID	
CCOCCC(=O)NC1(CO)CCC1	161114934	FOHFGYCOBCUNBP-UHFFFAOYSA-N	201.266	0.444	70	20	BCID	
COC(=O)CCN1CCC[C@H]1C[C@@H](C)O	159385972	ZVZJUUWCVXCTMY-ZJUUUORDSA-N	215.293	0.785	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)c1ccccn1	159822547	MFAQZRDERIIGNY-UHFFFAOYSA-N	235.287	0.665	70	20	BCID	
CC1(CNC(=O)NC2CC2)CCNCC1	159989212	NJBAGEBATHSUTA-UHFFFAOYSA-N	211.309	0.838	70	20	BCID	
CCC[C@@H](C)NC(=O)[C@H](N)C(=O)OCC	160039710	XWOHBPMFRVAUQC-SFYZADRCSA-N	216.281	0.182	70	20	BCID	
CC[C@@H](CCO)NC(=O)C[C@H](C)COC	160122747	PQAJAJDEAPZERP-UWVGGRQHSA-N	217.309	0.936	70	20	BCID	
CC(C)(C)c1cnc(CNC(=O)CN)o1	160636437	RGYNIIVCNBIFQR-UHFFFAOYSA-N	211.265	0.547	70	20	BCID	
CCCNS(=O)(=O)N[C@H](CN)CC(C)C	160866031	ACDBNPKPJLQWHO-VIFPVBQESA-N	237.369	0.194	70	20	BCID	
CNC[C@H]1CCCN(C(=O)[C@H](C)OC)C1	160916037	JJNMMFRDZCPNMA-VHSXEESVSA-N	214.309	0.479	70	20	BCID	
CCCCO[C@@H](C)C(=O)NCC[C@@H](O)COC	161094523	FRHVGTITRAHCEU-WDEREUQCSA-N	247.335	0.705	70	20	BCID	
CC[C@H](C)OCC(=O)NCC[C@@H](O)COC	161115816	LGQIINZNYITAMK-VHSXEESVSA-N	233.308	0.315	70	20	BCID	
CC[C@H]1COCCN1C(=O)N[C@@H]1CCOC1	159569545	UEHXLRDXTSEPMD-ZJUUUORDSA-N	228.292	0.596	70	20	BCID	
CC[C@H](CCO)NC(=O)c1ocnc1C	160132478	VAXQZYKXBILMIN-MRVPVSSYSA-N	212.249	0.874	70	20	BCID	
CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCN1	160801759	DNEZDMCGLLZRQR-IUCAKERBSA-N	228.292	0.054	70	20	BCID	
Cn1cc(C(=O)N[C@@H]2CCC[C@H](N)C2)cn1	161199676	MPAVZZRPUPWIJR-VHSXEESVSA-N	222.292	0.420	70	20	BCID	
COCCCC(=O)N[C@@H]1CCC[C@@H](N)C1	161499247	XKPSVUATJPUFGX-NXEZZACHSA-N	214.309	0.799	70	20	BCID	
CCOC(=O)[C@H](NCCO)c1ccccc1	217673479	AHIPDPPOIDXRJJ-LLVKDONJSA-N	223.272	0.873	70	20	BCID	
O=C([C@@H]1CCCN1)N1C[C@@H]2CCC[C@H](C1)N2	159613325	HZIAKTCOHUGOTM-AXFHLTTASA-N	223.320	0.091	70	20	BCID	
COCCCN1CCC2(C1)OCCO2	160631421	PXDXMYICRQGKPR-UHFFFAOYSA-N	201.266	0.472	70	20	BCID	
COC(=O)[C@H]1CC[C@@H](S(=O)(=O)Cl)C1	675051392	RSYCXMCADYKZPW-NTSWFWBYSA-N	226.681	0.897	70	20	BCID	
O=C(N[C@H]1CCCSC1)N[C@@H]1CCOC1	159439663	LVUQLRHZHBUOOY-BDAKNGLRSA-N	230.333	0.970	70	20	BCID	
CO[C@H](C)C(=O)N(C)C1CCOCC1	160801530	KERIATUIWQSPIE-MRVPVSSYSA-N	201.266	0.659	70	20	BCID	
Cc1ocnc1C(=O)N[C@H]1CCC[C@@H](N)C1	161067610	XVQLCQQGKNOHBG-BDAKNGLRSA-N	223.276	0.983	70	20	BCID	
CCS(=O)(=O)N(C)C[C@@H](O)C1CC1	161439295	LIBWPSYYVFRKFD-MRVPVSSYSA-N	207.295	0.039	70	20	BCID	
Cn1c(C(=O)Nc2cc[nH]n2)cccc1=O	161498300	KNGIXQMGMCTYJV-UHFFFAOYSA-N	218.216	0.361	70	20	BCID	
CSC[C@](C)(O)CNC(=O)c1cnc[nH]1	217618699	VURBFUOBWBEOEI-SECBINFHSA-N	229.305	0.254	70	20	BCID	
CCC[C@H](O)CNC(=O)CCNC1CC1	217964164	ARMUQYLUKQPJLY-JTQLQIEISA-N	214.309	0.406	70	20	BCID	
COC[C@]1(C(=O)NCc2ccccc2)CCNC1	218147363	UVYOSLVXUCQKHA-AWEZNQCLSA-N	248.326	0.929	70	20	BCID	
Cc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)c(C)nn1	218154560	DBAJYMDXRHEKLF-QMMMGPOBSA-N	246.274	0.703	70	20	BCID	
O=C(NC[C@@H]1CCCOC1)N[C@H]1CCOC1	159389749	NPTBFMIKCLASTE-UWVGGRQHSA-N	228.292	0.501	70	20	BCID	
C[C@@H](CO)CNC(=O)c1cc(N(C)C)ccn1	159587909	TXUCGPZNZIHOMM-SECBINFHSA-N	237.303	0.506	70	20	BCID	
COc1ccc(NC(=O)NC2(CO)CC2)cn1	160737479	ISKFLTRDKJOQCR-UHFFFAOYSA-N	237.259	0.737	70	20	BCID	
CNCCCC(=O)N[C@@H]1CCC[C@H](N)C1	160962469	LLPTXVZTFBDBLZ-VHSXEESVSA-N	213.325	0.372	70	20	BCID	
COC(=O)[C@@H](C)N1CCC[C@@H](CO)C1	217737629	UEXWQKWGYKQNAZ-RKDXNWHRSA-N	201.266	0.252	70	20	BCID	
COC(=O)c1cc(S(=O)(=O)F)c[nH]1	238856342	VRLNSUNLZTXDDR-UHFFFAOYSA-N	207.182	0.460	70	20	BCID	
CC(C)N(C)CCNC(=O)N[C@@H]1CCOC1	159401220	JRKCOCFQZQNKQU-SNVBAGLBSA-N	229.324	0.415	70	20	BCID	
CC(=O)NCCNC(=O)N1CC[C@@H](C)[C@H](C)C1	159793441	XEOIKVAYOGRIRM-NXEZZACHSA-N	241.335	0.810	70	20	BCID	
CCCC(=O)N1CCS(=O)(=O)C(C)(C)C1	159968788	AQDIKFTVISDWBL-UHFFFAOYSA-N	233.333	0.822	70	20	BCID	
CC(C)NC(=O)CNC(=O)[C@@H]1CCCCO1	160190954	QJTKWAUTOQTBMH-VIFPVBQESA-N	228.292	0.196	70	20	BCID	
CC[C@@H]1C(=O)NCCN1c1ccnc(C)n1	160413719	NDTGFQWQOAKJSF-SECBINFHSA-N	220.276	0.500	70	20	BCID	
CCOC(=O)Cn1cnc(C(C)C)cc1=O	160693749	WFDSITAITMMVEA-UHFFFAOYSA-N	224.260	0.930	70	20	BCID	
Cn1ncnc1CN1CCCSCC1	161488759	FIBJTWSREQTPHP-UHFFFAOYSA-N	212.322	0.754	70	20	BCID	
Cc1ncoc1C(=O)N(CCO)C1CC1	159506476	JRHNJKSISMQFRZ-UHFFFAOYSA-N	210.233	0.580	70	20	BCID	
Cc1cc(C(=O)NCCn2cccn2)ncn1	159731333	KQVKEBQBYBFHIN-UHFFFAOYSA-N	231.259	0.412	70	20	BCID	
COC[C@@H](O)CCNC(=O)c1cccs1	160878880	MXTOBOSFEJJWAZ-QMMMGPOBSA-N	229.301	0.875	70	20	BCID	
Cc1cc(N[C@H]2CCN(C)C2=O)ncn1	217495774	WQOCWSAADHCOQT-QMMMGPOBSA-N	206.249	0.428	70	20	BCID	
Cc1nn(C)c(C)c1NC(=O)c1ccc(=O)[nH]n1	217861341	KHGASLZYGJSXOF-UHFFFAOYSA-N	247.258	0.373	70	20	BCID	
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NCCO	159715162	WELMHFFXLNLUSQ-OCCSQVGLSA-N	249.358	0.874	70	20	BCID	
CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C	160949805	FEOSAOJIKOKJDJ-QWRGUYRKSA-N	228.336	0.604	70	20	BCID	
CNCCCC(=O)N[C@H]1CCC[C@@H](N)C1	160962845	LLPTXVZTFBDBLZ-ZJUUUORDSA-N	213.325	0.372	70	20	BCID	
CCN(C)C(=O)CS(=O)(=O)C(C)(C)C	159807024	JOYFJZJNQSFENF-UHFFFAOYSA-N	221.322	0.678	70	20	BCID	
C[C@@H](CC(=O)NCCCC(N)=O)c1ccncc1	160042316	CCLOIJVVNBLKST-JTQLQIEISA-N	249.314	0.957	70	20	BCID	
C[C@@H](Oc1cccnc1)C(=O)NCC(C)(C)N	160073635	RINPAMKSEPEMDJ-SECBINFHSA-N	237.303	0.702	70	20	BCID	
CCOC(=O)[C@@H](C)N1CC[C@H](NC(C)=O)C1	160289915	AMVBDNGUUAEDDI-SCZZXKLOSA-N	228.292	0.148	70	20	BCID	
COCCC1(CNC(=O)N[C@H](C)CO)CC1	161029627	GIFLEMWMUJPUJH-SECBINFHSA-N	230.308	0.483	70	20	BCID	
Cc1ccn(CCS(=O)(=O)F)c(=O)c1	883953312	QIILWNSBFISNJU-UHFFFAOYSA-N	219.237	0.456	70	20	BCID	
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](S(=O)(=O)F)C1	1615002181	PVRUFSXOFWQIET-BWZBUEFSSA-N	235.280	0.543	70	20	BCID	
CC[C@@H]1COCCN1C(=O)N[C@H]1CCOC1	159569691	UEHXLRDXTSEPMD-VHSXEESVSA-N	228.292	0.596	70	20	BCID	
CCOCCNC(=O)[C@]1(C)CCCCN1	159562371	NTFYUPACLWLXJI-NSHDSACASA-N	214.309	0.671	70	20	BCID	
CC(C)(C)NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1	160242068	QRJCJNOMNQGZQM-HTQZYQBOSA-N	243.307	0.117	70	20	BCID	
CCCNS(=O)(=O)NC[C@H](CC)CCO	160721958	IVKPUWGSROHUQD-SECBINFHSA-N	238.353	0.229	70	20	BCID	
COCCN(CCOC)C(=O)N[C@@H]1CCOC1	159462818	SABZYCBGSQGLNA-SNVBAGLBSA-N	246.307	0.080	70	20	BCID	
CSCCN(C)C(=O)CCCCN	160005450	NJBINEKAMPVRRP-UHFFFAOYSA-N	204.339	0.937	70	20	BCID	
O=C(N[C@H]1CCC[C@H]1CO)c1cnsn1	217915476	KEIKLOJSPAAOGD-BQBZGAKWSA-N	227.289	0.429	70	20	BCID	
CN(CCO)C(=O)c1ccc(OCCO)cc1	160004035	PBJNOZAXSRDWMK-UHFFFAOYSA-N	239.271	0.122	70	20	BCID	
CC1(NC(=O)[C@H]2CCOC2)CCNCC1	160573113	GEZYTMMYGWHRMA-VIFPVBQESA-N	212.293	0.281	70	20	BCID	
C[C@@H](N)CC(=O)NC[C@@H](C)N1CCCC1	161044039	BBEMHXGUNRXHDE-NXEZZACHSA-N	213.325	0.324	70	20	BCID	
CN(CCO)C(=O)NCc1cccc(F)c1	217314754	XYAFWNOPSBGSTB-UHFFFAOYSA-N	226.251	0.959	70	20	BCID	
O=C(O)COc1ccc(S(=O)(=O)F)cc1	101451197	OAHYDXIOUOXLML-UHFFFAOYSA-N	234.204	0.808	70	20	BCID	
COC(=O)[C@H]1CCC[C@@H](C(=O)NCCO)C1	159425938	LHFLQRYXFBLYSF-BDAKNGLRSA-N	229.276	0.074	70	20	BCID	
CC(C)OCCC(=O)N1CC[C@@H](N)C1	160210144	RZDMUKOBRVGPLO-SECBINFHSA-N	200.282	0.361	70	20	BCID	
CC[C@H](C)NC(=O)CN1CCC[C@@H](N)C1	217525293	BXFJPPKUFSZGCV-VHSXEESVSA-N	213.325	0.324	70	20	BCID	
CC[C@H]1COCCN1C(=O)N[C@H]1CCOC1	159569824	UEHXLRDXTSEPMD-UWVGGRQHSA-N	228.292	0.596	70	20	BCID	
CCC(CC)[C@H](O)CNC(=O)[C@@H](C)N	159759766	XXCMAIQIBKHFJW-VXNVDRBHSA-N	202.298	0.247	70	20	BCID	
CO[C@H](C)C(=O)N[C@@](C)(CN)C1CC1	160934517	RUKQLCXKISJAJH-XCBNKYQSSA-N	200.282	0.265	70	20	BCID	
CN1C[C@H](CS(=O)(=O)Cl)OC1=O	307221132	XTGWATQYIFVAOQ-SCSAIBSYSA-N	213.642	0.006	70	20	BCID	
COC[C@H]1CCN(C(=O)N[C@H]2CCOC2)C1	159567741	VUYCAYPWHJSYSU-UWVGGRQHSA-N	228.292	0.453	70	20	BCID	
Cc1cnccc1CNCC(=O)N(C)C	160612608	ICJDUJQVXXZNSV-UHFFFAOYSA-N	207.277	0.568	70	20	BCID	
CC[C@H](O)CNCCN(CC)C1CC1	218384973	LOTZPEOWSNVBJL-NSHDSACASA-N	200.326	0.831	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCS2)C1	159559827	UGPWFJDUPYPLSQ-NXEZZACHSA-N	242.344	0.619	70	20	BCID	
C[C@H]1NCCC[C@@H]1NC(=O)c1cc[nH]n1	160532693	KSMLWMZJSNGVTR-SFYZADRCSA-N	208.265	0.280	70	20	BCID	
CN(CCO)C(=O)NCC1CCOCC1	218710126	QAFCUZUOHUBAFI-UHFFFAOYSA-N	216.281	0.047	70	20	BCID	
COC(=O)c1cncc(N(C)[C@H]2CCOC2)n1	159683216	GTVXFGKZSGTDKT-QMMMGPOBSA-N	237.259	0.488	70	20	BCID	
CC[C@H](N)C(=O)NC[C@@H](O)[C@H](C)CC	159819592	XOBLRGBICQFXJZ-HRDYMLBCSA-N	202.298	0.247	70	20	BCID	
NC[C@H]1CCCN1C(=O)COCC1CC1	160381698	LZWYMSMRLHEBGH-SNVBAGLBSA-N	212.293	0.363	70	20	BCID	
CCn1cnnc1CNCc1cc[nH]n1	218111417	AMHBGCQNRLQWHZ-UHFFFAOYSA-N	206.253	0.311	70	20	BCID	
CCOCC(=O)NC[C@H](O)COCC(C)C	159385809	CZGUANGTUUXHMC-JTQLQIEISA-N	233.308	0.173	70	20	BCID	
C[C@]1(NC(=O)N[C@H]2CCOC2)CCOC1	160220357	WJVYKNOOTMJSIS-WPRPVWTQSA-N	214.265	0.254	70	20	BCID	
Cn1cnnc1CN1CCOC(C)(C)C1	160783773	KWLBEUNOWLFDDQ-UHFFFAOYSA-N	210.281	0.426	70	20	BCID	
O=C(N[C@H]1CCOC1)N1CCSCC1	159438030	GKZGALBCOYTYNR-QMMMGPOBSA-N	216.306	0.534	70	20	BCID	
COC(CN[C@@H](CCO)C(C)C)OC	218058950	GZLYJGKZVSVBGK-VIFPVBQESA-N	205.298	0.602	70	20	BCID	
O[C@H](CNCc1ncc[nH]1)C(F)(F)F	218208481	FCMRPAJQSWAGEL-RXMQYKEDSA-N	209.171	0.423	70	20	BCID	
CNC[C@H](C)CNS(=O)(=O)c1cccs1	160138559	PJGWDQCQOVPDLN-QMMMGPOBSA-N	248.373	0.882	70	20	BCID	
CN[C@H]1CCN(C(=O)c2noc3c2CCCC3)C1	160601012	CKVWXIJEAKZGRC-VIFPVBQESA-N	249.314	0.987	70	20	BCID	
C[C@H](CO)SCC(=O)N(C)C1CC1	160754797	LAUVWGCDKRZVMX-SSDOTTSWSA-N	203.307	0.721	70	20	BCID	
O=C(N[C@H]1CCOC1)N[C@@H]1CCCSC1	159440034	LVUQLRHZHBUOOY-DTWKUNHWSA-N	230.333	0.970	70	20	BCID	
CC(C)NS(=O)(=O)N[C@H](C)c1ncc[nH]1	160803740	AFCCWVZKJQYZPS-SSDOTTSWSA-N	232.309	0.303	70	20	BCID	
CO[C@H](C)C(=O)N[C@](C)(CN)C1CC1	160934771	RUKQLCXKISJAJH-GMSGAONNSA-N	200.282	0.265	70	20	BCID	
C[C@@]1(O)CCCN(C(=O)NC[C@@H]2CCOC2)C1	160940871	SCOGHNUIMLJXJB-CMPLNLGQSA-N	242.319	0.579	70	20	BCID	
CC(C)[C@H](N)CNC(=O)[C@@]1(C)CCCNC1	161281523	GYTYPFDQCLKUJB-PWSUYJOCSA-N	227.352	0.476	70	20	BCID	
CCCS(=O)(=O)CCS[C@@H](C)CO	217975049	GQYDAYQYNDCKFB-QMMMGPOBSA-N	226.363	0.925	70	20	BCID	
CO[C@H](C)CCC(=O)NC1CCNCC1	159745361	MCFWLHVHRZNDLD-SECBINFHSA-N	214.309	0.670	70	20	BCID	
CN(C)c1ccc(C(=O)NCC(C)(C)N)cn1	160020413	XILGOGPUWAANHX-UHFFFAOYSA-N	236.319	0.615	70	20	BCID	
C[C@]1(O)CCCN(CCC2OCCCO2)C1	160995259	CHIQEMLYNVDTDI-LBPRGKRZSA-N	229.320	0.986	70	20	BCID	
CCN(CCC(=O)NC)Cc1cnn(C)c1	161122719	JSQJKMLDEKOBSP-UHFFFAOYSA-N	224.308	0.378	70	20	BCID	
C[C@@H](C(=O)N[C@H]1CCC[C@@H](N)C1)N(C)C	161193896	RDTJTLJIZMDPGV-AEJSXWLSSA-N	213.325	0.323	70	20	BCID	
CCS(=O)(=O)C[C@@H](C)NC[C@H]1CCOC1	161501975	DTVWRISCLPDHDQ-NXEZZACHSA-N	235.349	0.436	70	20	BCID	
CCN(C)C(=O)CN[C@H]1CCC[C@@H](N)C1	217354471	JRSNIDAZRZWWCE-ZJUUUORDSA-N	213.325	0.324	70	20	BCID	
CN(CCOCCO)C[C@H]1CCC[C@@H]1O	159476008	YACWBFXTFSBJKJ-MNOVXSKESA-N	217.309	0.088	70	20	BCID	
CC(=O)N[C@H]1CCN(c2cccc(F)n2)C1	160312508	OFYCHQYNLDVPGF-VIFPVBQESA-N	223.251	0.936	70	20	BCID	
FC(F)(F)CN1CCC2(C1)OCCO2	160681790	ISHMINRQAGOMTQ-UHFFFAOYSA-N	211.183	0.998	70	20	BCID	
c1nnc2n1CCN(CCCN1CCCCC1)C2	160969825	XIPVBBKJYXVDCY-UHFFFAOYSA-N	249.362	0.970	70	20	BCID	
CN1CC[C@@H](N(C)CCCCCO)C1=O	217935225	SDAPTKBDLPNFNQ-SNVBAGLBSA-N	214.309	0.312	70	20	BCID	
COC(=O)[C@@H]1CCCN(S(=O)(=O)Cl)C1	104227693	QEJPSWQMFANDAL-ZCFIWIBFSA-N	241.696	0.355	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCOC1	160582454	CVCGWHZWWYXSOA-NXEZZACHSA-N	243.303	0.871	70	20	BCID	
CCN(CC)C(=O)CN(C)Cc1nncn1C	160716173	NMXOIRBLNJXDDH-UHFFFAOYSA-N	239.323	0.115	70	20	BCID	
Cn1cc(CCS(=O)(=O)Cl)cn1	230746857	XZFBCUKQWRKXIS-UHFFFAOYSA-N	208.670	0.531	70	20	BCID	
Cc1cc2c(cc1C)O[C@H](C(=O)N1CC(O)C1)C2	161471166	FBEJEMSGORSSGM-ZDUSSCGKSA-N	247.294	0.810	70	20	BCID	
CC[C@@H](CCO)N[C@@H]1CCCNC(=O)C1	217801678	KRYPNADGEKJRGJ-VHSXEESVSA-N	214.309	0.406	70	20	BCID	
CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O	217924086	INLZNVDQKMROTN-GFCCVEGCSA-N	232.283	0.924	70	20	BCID	
Cc1nccc(NCCn2ccnn2)n1	159624519	YKDQOFVPYAOPGG-UHFFFAOYSA-N	204.237	0.489	70	20	BCID	
CC[C@@H](C)OCC(=O)NCc1nc(C)no1	160154230	QOPIGOSPXXGRJZ-SSDOTTSWSA-N	227.264	0.809	70	20	BCID	
CCOC(=O)[C@H](C)CNC(=O)CCCN	160803440	KBDAECCHYLFJLT-MRVPVSSYSA-N	216.281	0.041	70	20	BCID	
CSC[C@@](C)(O)CNC(=O)c1ccc[nH]1	217636847	RRHDYCYXXNHRDT-JTQLQIEISA-N	228.317	0.859	70	20	BCID	
CC(C)n1cc(NC(=O)c2ccc(=O)[nH]n2)cn1	218038638	GRCNQTWZUPMLTQ-UHFFFAOYSA-N	247.258	0.800	70	20	BCID	
C[C@H]1C[C@H]1C(=O)N1CC(CS(=O)(=O)F)C1	1616187037	UWQHKTMXPDMWAG-POYBYMJQSA-N	235.280	0.400	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)[C@H]1C[C@@H]1C	159819402	RXIIDAVUYLCQSB-IUCAKERBSA-N	212.293	0.612	70	20	BCID	
CC[C@@H](C)OCC(=O)N(C)CCOC	159957041	KWXBRLZHPXXXQV-SECBINFHSA-N	203.282	0.906	70	20	BCID	
C[C@H]1NCCC[C@H]1NC(=O)c1cn[nH]c1	160541710	GUHRWMKZGYFIFO-VXNVDRBHSA-N	208.265	0.280	70	20	BCID	
Cc1nn(C)cc1CN[C@H](C)CC(N)=O	160798370	ZODWJQJNOWUNQE-SSDOTTSWSA-N	210.281	0.082	70	20	BCID	
CO[C@@H](C)C(=O)N(C)CC[C@@H](N)C(C)C	160944267	XIZDQYKMZMMYSW-VHSXEESVSA-N	216.325	0.853	70	20	BCID	
CC[C@H](N)C(=O)NC[C@H](C)N1CCCC1	161038733	QEJXTPSDNYSXAC-UWVGGRQHSA-N	213.325	0.324	70	20	BCID	
CCCC[C@@H](COC)NC(=O)[C@@H](C)N	161165041	KJOGZEUCAVLDGE-BDAKNGLRSA-N	202.298	0.655	70	20	BCID	
Cn1ccc(C(=O)N2CCC[C@@H](O)C2)n1	218027736	VSYYDYYDDADTNR-MRVPVSSYSA-N	209.249	0.017	70	20	BCID	
CCOC(=O)N1CCC(S(=O)(=O)F)CC1	253388132	ZCQHKCWGNXOTTP-UHFFFAOYSA-N	239.268	0.907	70	20	BCID	
CC(C)C[C@@H](CO)NC(=O)Cc1cnn(C)c1	160645543	KOJWXJUNYOALIV-NSHDSACASA-N	239.319	0.486	70	20	BCID	
CCCC1(CNC(=O)CNC(C)=O)CC1	160701812	FHTNVSRTTGSOJP-UHFFFAOYSA-N	212.293	0.819	70	20	BCID	
NC(=O)NC(=O)Cn1cnc2ccccc21	160805427	DXFOEVPQFQQHGB-UHFFFAOYSA-N	218.216	0.231	70	20	BCID	
CC[C@H](NC(=O)CCOC)C(OC)OC	218106443	FRXBSHQSWSFTHK-QMMMGPOBSA-N	219.281	0.537	70	20	BCID	
CC(=O)N1CCC(NC(=O)C(F)F)CC1	218685813	QHJJXMLEIRHVEJ-UHFFFAOYSA-N	220.219	0.379	70	20	BCID	
COC[C@@H]1CCN(C(=O)[C@H](C)OC)C1	160643062	BRQCRONFWPOYQY-DTWKUNHWSA-N	201.266	0.516	70	20	BCID	
CO[C@@H](C)C(=O)N[C@@](C)(CN)CC(C)C	160938883	AIECMXJHUUTJHD-GXSJLCMTSA-N	216.325	0.901	70	20	BCID	
COC[C@@H](C)NC(=O)c1cc(C)ncn1	161195327	XGCPBJMKZFFAFV-MRVPVSSYSA-N	209.249	0.550	70	20	BCID	
O=S(=O)(F)c1cnc2[nH]cncc1-2	675051874	LGQRMFWMZSCPHO-UHFFFAOYSA-N	201.182	0.568	70	20	BCID	
O=C(NCC1CC1)c1cc(S(=O)(=O)F)c[nH]1	1120784723	CVYHWJPVPXYHKK-UHFFFAOYSA-N	246.263	0.813	70	20	BCID	
CSC[C@@H](C)NC(=O)N[C@H]1CCOC1	159411450	DBXICQYJENKJMX-SFYZADRCSA-N	218.322	0.826	70	20	BCID	
CN1C[C@@H](C(=O)NOCc2cccnc2)CC1=O	160782230	PRANYSMERTYQBT-JTQLQIEISA-N	249.270	0.108	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@@H]1CCCS1	161016270	OGFITCUCANWNMO-IUCAKERBSA-N	233.333	0.396	70	20	BCID	
C[C@@H]1OCC[C@@H]1C(=O)NC1(CO)CCC1	161405296	KYDVCVCIRPUVGE-IUCAKERBSA-N	213.277	0.443	70	20	BCID	
COC(=O)NCCC(=O)Nc1cccc(F)n1	160674191	PVHWUAMPHBNDIR-UHFFFAOYSA-N	241.222	0.905	70	20	BCID	
CCOCCO[C@H](C)C(=O)NC[C@@H](O)C(C)C	159763195	FRQCHHIXGLDHNW-GHMZBOCLSA-N	247.335	0.561	70	20	BCID	
O=S1(=O)CCN(CCOCC2CC2)CC1	160401349	DTWGQJSWDWEBSD-UHFFFAOYSA-N	233.333	0.143	70	20	BCID	
C[C@H]1NCCC[C@H]1NC(=O)c1ccc[nH]1	160536072	XQGJNTAUWVMURG-RKDXNWHRSA-N	207.277	0.885	70	20	BCID	
COC[C@H](O)CNC(=O)Nc1ccc(C)nc1	161456766	DDHUTOMVSDXPRS-SNVBAGLBSA-N	239.275	0.519	70	20	BCID	
CC[C@@H](COC)N[C@H]1CCc2nc(C)nn2C1	160542389	ABFBLLHIHDPSAC-QWRGUYRKSA-N	238.335	0.916	70	20	BCID	
CCCNS(=O)(=O)N(CC)CC(C)(C)O	160719789	HIZHWFQNKYXZJQ-UHFFFAOYSA-N	238.353	0.324	70	20	BCID	
Cc1nccc(C(=O)NC[C@@H](C)CCO)n1	161014965	KNWHHMPPMWGIQK-QMMMGPOBSA-N	223.276	0.533	70	20	BCID	
CSCCNC(=O)N1CCC[C@@](C)(O)C1	161509145	NLHCMCOVWBKZNH-SNVBAGLBSA-N	232.349	0.906	70	20	BCID	
COC[C@H](C)NC(=S)N[C@H]1CCOC1	159581117	NMDFISVJIUTXGJ-YUMQZZPRSA-N	218.322	0.274	70	20	BCID	
CSCCN(C)C(=O)C1(N)CCC1	160010431	UOJBAJCLTOQTMJ-UHFFFAOYSA-N	202.323	0.689	70	20	BCID	
CCCC[C@@H](CN)NS(=O)(=O)NC(C)C	160931600	CQCZUPRSZBPWFV-VIFPVBQESA-N	237.369	0.336	70	20	BCID	
Cc1cc(C[C@@H](C)NC(=O)c2cnn(C)c2)n[nH]1	161386436	MWNYLMKTKNHOQP-MRVPVSSYSA-N	247.302	0.813	70	20	BCID	
CC[C@@H](C)c1cc(C(=O)NCC(N)=O)on1	159847537	GYRDWGXNJDYDHO-ZCFIWIBFSA-N	225.248	0.403	70	20	BCID	
CC[C@H](N)C(=O)Nc1n[nH]c2c1c(C)nn2C	160114215	UWRXWIXEGPGLGZ-LURJTMIESA-N	236.279	0.281	70	20	BCID	
CSCC[C@H](N)C(=O)NCC[C@H](O)C(C)C	160899573	IAGQKMSOXULHGX-UWVGGRQHSA-N	248.392	0.590	70	20	BCID	
C[C@@H]1COCCN1C(=O)[C@@H]1CCCCO1	161232114	QDNWGTQZFJHFGG-ZJUUUORDSA-N	213.277	0.803	70	20	BCID	
Cn1cc(NC(=O)N[C@@H]2CCOC2)cn1	159402287	AUMAXBPFPDUQCN-SSDOTTSWSA-N	210.237	0.331	70	20	BCID	
COCC(C)(C)C(=O)N(C)CC(=O)NC1CC1	160737439	XEVJWQIFQGNZQB-UHFFFAOYSA-N	242.319	0.396	70	20	BCID	
CC[C@H](C)OCC(=O)NCCOCCOC	161223299	KZKSYQMXDFMDDJ-JTQLQIEISA-N	233.308	0.581	70	20	BCID	
COC[C@@H](C)C(=O)N[C@H]1CCN(C(C)=O)C1	159826756	RCTCALWMUUWDEY-SCZZXKLOSA-N	228.292	0.006	70	20	BCID	
CC(=O)NCCCSCCN1CCOCC1	160064248	UHFJJRTWBIIQFD-UHFFFAOYSA-N	246.376	0.578	70	20	BCID	
CCO[C@@H]1C[C@@H](NC(=O)CNC)C12CCC2	160992452	QIAMTADRUDLLPN-NXEZZACHSA-N	226.320	0.670	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CSCN2)C1	161196722	DYXBCIODODQUAN-HLTSFMKQSA-N	229.349	0.035	70	20	BCID	
C=C=CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1521438933	VARQSUGHSGGUJA-UHFFFAOYSA-N	244.247	0.744	70	20	BCID	
COC[C@@H](C)C(=O)N[C@@H]1CCN(C(C)=O)C1	159826464	RCTCALWMUUWDEY-PSASIEDQSA-N	228.292	0.006	70	20	BCID	
C[C@H](C(=O)N(C)C)N(C)C[C@@H]1CCC[C@@H]1O	159490509	BLXXBHIXVQQMEK-VWYCJHECSA-N	228.336	0.556	70	20	BCID	
CCOC(=O)[C@H](N)C(=O)Nc1ccsc1	160116357	XIQAHWPNBPBIEY-SSDOTTSWSA-N	228.273	0.577	70	20	BCID	
CCN(CCCO)C(=O)N[C@H]1CCOC1	159550080	CGSAFHKZAQSCBF-VIFPVBQESA-N	216.281	0.189	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCS2)C1	159559585	UGPWFJDUPYPLSQ-ZJUUUORDSA-N	242.344	0.619	70	20	BCID	
CCOC(C)(C)CNC(=O)c1cnn(C)c1N	159685416	LKEDZJRZEKAUOH-UHFFFAOYSA-N	240.307	0.547	70	20	BCID	
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H](N)C1	160271013	IVQLYNAGERYPCL-AXFHLTTASA-N	242.319	0.130	70	20	BCID	
COC[C@H](O)CN[C@H](C)c1cscn1	161203510	VQTSZNGHVDTRJW-HTQZYQBOSA-N	216.306	0.801	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@@H](C)SC	161333935	KYNWAQSGJNAPJA-HTQZYQBOSA-N	221.322	0.252	70	20	BCID	
CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNC	161343054	NHSGDOOBGKWKLF-VHSXEESVSA-N	214.309	0.622	70	20	BCID	
C[C@@H](C(=O)N(C)C)N1CCC[C@@H](CN)C1	217553074	ASUIAWSLDXZPFP-UWVGGRQHSA-N	213.325	0.134	70	20	BCID	
CCN(CC)CCNC(=O)N1CC[C@@H](CO)C1	160845377	SXWSZVRXHNNKDD-LLVKDONJSA-N	243.351	0.352	70	20	BCID	
CC[C@@H](CCO)NC(=O)CN(CC)C1CC1	159412415	RJYRKURIGNWXTC-JTQLQIEISA-N	228.336	0.748	70	20	BCID	
CC[C@@H](O)CCNCc1cn(C)nc1C	160167563	SFSDMNSXLXZGMO-LLVKDONJSA-N	211.309	0.979	70	20	BCID	
C[C@H]1CN(Cc2nncn2C)[C@H](C)CO1	160767077	SQKUWXPMWODUHZ-BDAKNGLRSA-N	210.281	0.424	70	20	BCID	
CC(C)NC(=O)Cn1cnc(C(C)C)cc1=O	160827376	IPSMHFJSCZAROA-UHFFFAOYSA-N	237.303	0.891	70	20	BCID	
COC1CCN(C(=O)N[C@@H]2CCOC2)CC1	159457806	ZWCZKLINBBBAGF-SECBINFHSA-N	228.292	0.596	70	20	BCID	
CC[C@H](C)OCC(=O)NCc1nc(C)no1	160154369	QOPIGOSPXXGRJZ-ZETCQYMHSA-N	227.264	0.809	70	20	BCID	
CCOCCC(=O)N[C@@H](CCO)C(C)C	160550405	ZDCIDYDBNGAAPX-JTQLQIEISA-N	217.309	0.936	70	20	BCID	
CCN(C[C@@H]1CCCO1)S(=O)(=O)Cl	104751451	FRPWNDNUHBHZSX-ZETCQYMHSA-N	227.713	0.971	70	20	BCID	
C[C@@H](CO)NC(=O)c1cnc2c(c1)ncn2C	160091310	NFTOSVFWJHYJSA-ZETCQYMHSA-N	234.259	0.079	70	20	BCID	
CCOC[C@@H](O)CN[C@@H]1CCCSC1	161271439	AJEAVUNBJPWJSV-ZJUUUORDSA-N	219.350	0.869	70	20	BCID	
CCC1(O)CN(C(=O)/C=C\c2cnn(C)c2)C1	217457075	MHZMQXXMVJEFDZ-PLNGDYQASA-N	235.287	0.417	70	20	BCID	
CCOC(=O)[C@H](CC)N1CCN[C@@H](C)C1	159579657	LOUMGFBAXMMCPJ-UWVGGRQHSA-N	214.309	0.622	70	20	BCID	
CCOC(=O)CCN1CC[C@H](NC(C)=O)C1	160290835	BYDDJNFURXYIAZ-JTQLQIEISA-N	228.292	0.150	70	20	BCID	
CCCNC(=O)CCCC(=O)NC[C@H](C)CO	160479659	OOYFTJBIOBLOBA-JTQLQIEISA-N	244.335	0.428	70	20	BCID	
Cc1cnccc1CNC(=O)[C@H](C)CN	160604024	UCZHZRCQLAKZSJ-MRVPVSSYSA-N	207.277	0.601	70	20	BCID	
CCc1cc(O)nc(CN(CCO)C2CC2)n1	160856119	IHJIOSSYGCVJQM-UHFFFAOYSA-N	237.303	0.701	70	20	BCID	
COC(=O)CCCNC(=O)[C@H]1CCCCO1	161096633	IBQFMQJEAXBBNK-SECBINFHSA-N	229.276	0.625	70	20	BCID	
Cn1ccnc1CCS(=O)(=O)Cl	126095115	DLMNSMODZMAMLG-UHFFFAOYSA-N	208.670	0.531	70	20	BCID	
Cc1nccc(C(=O)NC[C@@H](C)CO)n1	160469747	VBWDAWMXBDPNMB-SSDOTTSWSA-N	209.249	0.143	70	20	BCID	
CCN(C)C(=O)CN[C@H]1CCC[C@H](N)C1	217354629	JRSNIDAZRZWWCE-UWVGGRQHSA-N	213.325	0.324	70	20	BCID	
CC[C@@]1(C)C[C@H]1C(=O)NCC(=O)N(C)C	159908335	JWYIQNIEANFFJA-KWQFWETISA-N	212.293	0.627	70	20	BCID	
C[C@@H](NC(=O)CN(C)C)C(=O)OC(C)(C)C	160107718	FKWIWWLXGAWSCA-MRVPVSSYSA-N	230.308	0.394	70	20	BCID	
CCn1ccc(=O)n(CCCSC)c1=O	161081600	VILOXAULXGVLOH-UHFFFAOYSA-N	228.317	0.783	70	20	BCID	
N[C@H]1CCCCCC[C@H]1C(=O)N1CCNCC1	159394123	VOCDVMBCZGYFQE-NEPJUHHUSA-N	239.363	0.716	70	20	BCID	
CO[C@@H](C)C(=O)NCC1(O)CCCCC1	160645334	VANPCFHZFRPVIS-VIFPVBQESA-N	215.293	0.833	70	20	BCID	
CC[C@H](CCO)CNC(=O)[C@@H](C)OC	160833782	XIMDZRXHMVENSX-RKDXNWHRSA-N	203.282	0.546	70	20	BCID	
CCCCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1	160241297	CIOZNSNTTAZSEJ-RKDXNWHRSA-N	243.307	0.119	70	20	BCID	
CC[C@@](C)(O)CN(C)CC(=O)NC1CC1	160484875	VGEKMGDFIACYSS-LLVKDONJSA-N	214.309	0.358	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)CC2CCNCC2)C1	161200321	XPHLUSRBAKENAE-VXGBXAGGSA-N	239.363	0.762	70	20	BCID	
CC(=O)N1CCC[C@H](S(=O)(=O)Cl)C1	100596407	XPPWLKSMXZBGMF-ZETCQYMHSA-N	225.697	0.566	70	20	BCID	in-vitro
Cc1nc(C)c(C(=O)N2CC(C)(O)C2)o1	159524284	OCVZGNWAYCBGHJ-UHFFFAOYSA-N	210.233	0.498	70	20	BCID	
NCC[C@H]1CCN(C(=O)c2cc[nH]n2)C1	159985693	PHPMRXHABDLDIF-QMMMGPOBSA-N	208.265	0.221	70	20	BCID	
COC1CCC(N(C)C(=O)[C@@H](C)N)CC1	160056153	KVTUNHUKLWKGTB-XNWIYYODSA-N	214.309	0.750	70	20	BCID	
COC[C@@H](O)CCNC(=O)C[C@@H](C)SC	161308949	GRVGLMYTVJTCMA-BDAKNGLRSA-N	235.349	0.642	70	20	BCID	
CN1CCN(CCNc2cccc(F)n2)CC1	218114819	XGUDXOVJSFDEOG-UHFFFAOYSA-N	238.310	0.880	70	20	BCID	
C[C@@]1(Nc2ccc3nnnn3n2)CCOC1	160075259	QQFHWPGNIRWWHX-SECBINFHSA-N	220.236	0.110	70	20	BCID	
COC(=O)CN(C[C@H](C)OC)C(C)C	160649572	NLWXWKMKACAZFA-VIFPVBQESA-N	203.282	0.905	70	20	BCID	
CCOCCCNC(=O)c1cc(C)ncn1	161191026	OHMVBTQBRQPUQJ-UHFFFAOYSA-N	223.276	0.941	70	20	BCID	
CCC(=O)[C@](C)(CCS(=O)(=O)F)C(=O)O	1604851977	MOTZWRDTTWCDTQ-QMMMGPOBSA-N	240.252	0.746	70	20	BCID	
C[C@H](CCN(C)C)NC(=O)N[C@H]1CCOC1	159424625	NZLLOFUYVVACHJ-ZJUUUORDSA-N	229.324	0.415	70	20	BCID	
CCc1nc(CN(C)Cc2nccn2C)n[nH]1	159586979	FVTKEHWEPJGVNT-UHFFFAOYSA-N	234.307	0.733	70	20	BCID	
Cn1nnc2cc(C(=O)NCCCN)ccc21	159999341	VPCZMDAAPXVNIS-UHFFFAOYSA-N	233.275	0.047	70	20	BCID	
CCN(C)C(=O)CN[C@@H]1CCCN(C)C1	217377622	DIIUMXDUOSWKBU-SNVBAGLBSA-N	213.325	0.149	70	20	BCID	
COC[C@H](C)CNC(=O)N[C@@H]1CCOC1	159400537	LTIFDRVPAGIPPH-RKDXNWHRSA-N	216.281	0.357	70	20	BCID	
CC(C)[C@H](CCO)NC(=O)[C@@H]1CSCN1	159598434	WFRYMAQKJPLDDV-IUCAKERBSA-N	232.349	0.172	70	20	BCID	
CC[C@H](C)OCC(=O)NC[C@@]1(O)CCSC1	160218217	HNRBEOSUTIOBQE-ONGXEEELSA-N	247.360	0.786	70	20	BCID	
CCCOCC(=O)N[C@H]1CCC[C@H](N)C1	160837227	DCDQLNDTAHFWRB-UWVGGRQHSA-N	214.309	0.799	70	20	BCID	
O=C(C[C@@H]1OCCc2ccccc21)N1CC(O)C1	161498316	KTURFCXGGZIUBJ-ZDUSSCGKSA-N	247.294	0.894	70	20	BCID	
C[C@@H](O)CNCc1nnc2n1CCCC2	217318037	GOBFHRWZNIBRPI-MRVPVSSYSA-N	210.281	0.085	70	20	BCID	
CCCCO[C@@H](C)C(=O)NC[C@H](O)COC	159469764	RPHFCDBROKUIGU-UWVGGRQHSA-N	233.308	0.315	70	20	BCID	
C[C@H](O)[C@H]1CCN(c2ncc(F)cn2)C1	159528333	GQZLBUKYXFEYQH-YUMQZZPRSA-N	211.240	0.823	70	20	BCID	
CCCN(C)C(=O)NC[C@H]1CCCS1(=O)=O	159923804	JZSRLXUILHBLOF-SECBINFHSA-N	248.348	0.615	70	20	BCID	
CO[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1CN	160937704	OJQWBXYQKRYIEX-BBBLOLIVSA-N	214.309	0.607	70	20	BCID	
CNCc1nnc2c(Br)nccn12	217399758	UDNNDSWEUSVCMM-UHFFFAOYSA-N	242.080	0.606	70	20	BCID	
C[C@@H](O)[C@H]1CCN(CCCCCO)C1	159426109	IIQJUYHECVVMDI-MNOVXSKESA-N	201.310	0.852	70	20	BCID	
C[C@H]1CCC[C@H](NC(=O)C2(NC(N)=O)CC2)C1	159455223	RPVMTAQPOIFYOV-IUCAKERBSA-N	239.319	0.882	70	20	BCID	
COCCNC(=O)c1cnc(C(F)(F)F)nc1	159702086	DAULBWGKPAUSNK-UHFFFAOYSA-N	249.192	0.872	70	20	BCID	
CC[C@H](C(=O)Nc1c[nH]c(=O)c(C)c1)N(C)C	159837867	BNBCOHXQPTYUIS-SNVBAGLBSA-N	237.303	0.962	70	20	BCID	
C[C@H]1CC[C@@H](C(N)=O)CN1CCOCC1CC1	160526781	KSOJZCNKFMUPQD-CMPLNLGQSA-N	240.347	0.999	70	20	BCID	
CCS(=O)(=O)CC(=O)NC1CC=CC1	161015895	LEROVHSUGXGMBX-UHFFFAOYSA-N	217.290	0.256	70	20	BCID	
CC(C)N1CCN(Cc2nccn2C)CC1	160765055	YWXCPSCIFYECKF-UHFFFAOYSA-N	222.336	0.946	70	20	BCID	
O=C(NCC(F)(F)F)NC1(CO)CC1	159615410	CRCKCVIUFCAWSJ-UHFFFAOYSA-N	212.171	0.373	70	20	BCID	
CC[C@@H](CCO)NC(=O)CCC(C)=O	217976648	KDMLQXZTPAILQF-VIFPVBQESA-N	201.266	0.633	70	20	BCID	
COCCOC(=O)N1CCN(C)CC1	218765800	PPOKHAXYSFHWDD-UHFFFAOYSA-N	202.254	0.017	70	20	BCID	
C[C@@H](CO)N(C)C(=O)COC(C)(C)C	159455159	BSXRAJSVGQHJAE-QMMMGPOBSA-N	203.282	0.641	70	20	BCID	
NCC[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1	159999652	LCNZXGBAHSAPEZ-NXEZZACHSA-N	212.293	0.220	70	20	BCID	
CCOCCC(=O)NC1(C)CCNCC1	160576328	IGALXSLBLCJHMO-UHFFFAOYSA-N	214.309	0.671	70	20	BCID	
CC(C)c1cc(=O)n(CCOCCO)cn1	160920541	YBWYYASBQMMFFQ-UHFFFAOYSA-N	226.276	0.376	70	20	BCID	
NC(=O)CCCNC(=O)c1ccncc1F	161390389	YLYCVXDXHHTFCR-UHFFFAOYSA-N	225.223	0.216	70	20	BCID	
CCC[C@@H](O)CN[C@H]1CCCNC(=O)C1	217862516	VEOYLGXYXLVVCA-VHSXEESVSA-N	214.309	0.406	70	20	BCID	
CC[C@H](O)CCNCc1cnn(C)c1C	160167968	ZEZBGUHAPDFNKS-NSHDSACASA-N	211.309	0.979	70	20	BCID	
CCCC[C@@H](CN)NS(=O)(=O)NCCC	160930801	BFIITCDJECURMC-VIFPVBQESA-N	237.369	0.338	70	20	BCID	
CN1CC[C@@H](CNC(=O)c2cccc(=O)n2C)C1	160655608	GCLNKQJDDKEIHH-JTQLQIEISA-N	249.314	0.067	70	20	BCID	
CC[C@H](CCO)NC(=O)C[C@@H](C)COC	160122634	PQAJAJDEAPZERP-NXEZZACHSA-N	217.309	0.936	70	20	BCID	
CN[C@@H]1CCN(C(=O)[C@@H]2CSCCS2)C1	160774468	LWEGLMDFENUNFK-BDAKNGLRSA-N	246.401	0.655	70	20	BCID	
CC[C@H](N)C(=O)N[C@H](C)c1cnn(C)c1	159583156	MIZPEEGQGPUMSR-APPZFPTMSA-N	210.281	0.335	70	20	BCID	
CCN(CCCO)C(=O)Cn1cccn1	160297527	OWAHUWHBFSCOAN-UHFFFAOYSA-N	211.265	0.114	70	20	BCID	
CC(C)[C@@H]1C(=O)NCCN1CCOCC1CC1	160449129	OEUXGCJAEAGDDQ-GFCCVEGCSA-N	240.347	0.869	70	20	BCID	
COC[C@H]1CCN(C(=O)[C@@H](C)OC)C1	160642927	BRQCRONFWPOYQY-BDAKNGLRSA-N	201.266	0.516	70	20	BCID	
CCCNS(=O)(=O)N(C)Cc1ncc[nH]1	160784601	MRVLYLVBCUHPTC-UHFFFAOYSA-N	232.309	0.086	70	20	BCID	
Cc1cc(C(=O)N[C@H]2CCC[C@H](N)C2)no1	161145583	NSGDOZSXZVOHQG-IUCAKERBSA-N	223.276	0.983	70	20	BCID	
COC[C@H](C)CNC(=O)N[C@H]1CCOC1	159400810	LTIFDRVPAGIPPH-BDAKNGLRSA-N	216.281	0.357	70	20	BCID	
CC[C@]1(C)C[C@H]1C(=O)NCC(=O)NC1CC1	160160722	JPXUZGMBFDMBLB-JOYOIKCWSA-N	224.304	0.817	70	20	BCID	
CCOc1cncc(N2CC[C@@H]3CNC[C@@H]32)n1	217133123	XPPIRUDRZCEIAE-ZJUUUORDSA-N	234.303	0.673	70	20	BCID	
CC(=O)N[C@H]1CCN(c2nccnc2Cl)C1	160313033	HCSNATSFUHGFAK-QMMMGPOBSA-N	240.694	0.845	70	20	BCID	
CCC[C@H](O)CNC(=O)[C@@H](CC)N(C)C	160421314	OWYDQPQDRFVCQZ-VHSXEESVSA-N	216.325	0.604	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)c1cnn(C)c1	160427726	ROMCNNSBYSKIIV-QMMMGPOBSA-N	239.275	0.492	70	20	BCID	
CCN(CCCO)C(=O)[C@@H]1CCCO1	160312222	NABGUZQYQFPELH-VIFPVBQESA-N	201.266	0.396	70	20	BCID	
CCN(CC)C(=O)N[C@@H]1CCN(C)C1=O	160473587	DZHBTGWIALJGQN-MRVPVSSYSA-N	213.281	0.269	70	20	BCID	
CCCCO[C@H](C)C(=O)NC[C@H](O)COC	159469902	RPHFCDBROKUIGU-ZJUUUORDSA-N	233.308	0.315	70	20	BCID	
CCOCCO[C@@H](C)C(=O)NC[C@@H](C)CCO	161073467	RYIXYADMGCMMRU-QWRGUYRKSA-N	247.335	0.563	70	20	BCID	
CCN(C)C(=O)CN[C@@H]1CCC[C@H](N)C1	217354562	JRSNIDAZRZWWCE-VHSXEESVSA-N	213.325	0.324	70	20	BCID	
CC[C@H](C)[C@@H](C)NC[C@@H](O)CN(C)C	218769973	CLJNJFTYRZOXQU-HBNTYKKESA-N	202.342	0.933	70	20	BCID	
CC(C)(C)c1nnnn1CCS(=O)(=O)F	883953268	OEMLVVGTEJTRKS-UHFFFAOYSA-N	236.272	0.270	70	20	BCID	
O=S(=O)(F)CCn1cnc(C2CC2)n1	883953989	USOBYKZGJRDZNX-UHFFFAOYSA-N	219.241	0.455	70	20	BCID	
O=S(=O)(F)N1Cc2cccnc2C1	1887578911	DWUAYXVEGNOBOY-UHFFFAOYSA-N	202.210	0.612	70	20	BCID	
COCC[C@@H](C)NC(=O)N[C@H]1CCOC1	159398822	CTJADEKMMMVYPB-BDAKNGLRSA-N	216.281	0.500	70	20	BCID	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCO	159457542	REGYUZJAMVYCQL-UHFFFAOYSA-N	246.307	0.398	70	20	BCID	
CN(C)CC(=O)N[C@H](CCO)c1ccccc1	159506643	XMXXVHLRNGUCNW-GFCCVEGCSA-N	236.315	0.788	70	20	BCID	
CC[C@@](C)(CO)NC(=O)c1ccnnc1	159600298	NJXVFDSJVWLBDN-JTQLQIEISA-N	209.249	0.367	70	20	BCID	
CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CCCN1	160801902	DNEZDMCGLLZRQR-BDAKNGLRSA-N	228.292	0.054	70	20	BCID	
CCOCCO[C@H](C)C(=O)NC[C@H](C)CCO	161073839	RYIXYADMGCMMRU-GHMZBOCLSA-N	247.335	0.563	70	20	BCID	
CCC[C@H](O)CNC[C@@H](O)COCC	217877415	RIUKEFHHNCSFGL-VHSXEESVSA-N	205.298	0.134	70	20	BCID	
O=C(N[C@@H]1CCOC1)N1CCO[C@@H]2CCC[C@@H]21	159452912	UFTJOONKUULEDJ-OUAUKWLOSA-N	240.303	0.738	70	20	BCID	
NCCCNC(=O)c1ccnc(-n2cccn2)c1	160150730	GTHLUFSLHBHJNH-UHFFFAOYSA-N	245.286	0.346	70	20	BCID	
CC[C@@H](CCO)NC(=O)N[C@H](COC)C1CC1	160280553	VHHNEPLLKCXMNC-WDEREUQCSA-N	244.335	0.872	70	20	BCID	
CCCNC(=O)[C@H](C)N(CC)CCCO	160726167	LQPKMXBQUNVZBK-JTQLQIEISA-N	216.325	0.605	70	20	BCID	
COc1ncccc1NC(=O)NC1(CO)CC1	160886231	GOYBKCOOVRXVLY-UHFFFAOYSA-N	237.259	0.737	70	20	BCID	
Cc1cc(C(=O)N[C@H](C)c2nnc[nH]2)c(C)nn1	218154629	DBAJYMDXRHEKLF-MRVPVSSYSA-N	246.274	0.703	70	20	BCID	
CC[C@H](N)C(=O)NC[C@H](O)[C@H](C)CC	159819466	XOBLRGBICQFXJZ-VGMNWLOBSA-N	202.298	0.247	70	20	BCID	
O=C(CN1CCCCC1=O)NC1CC=CC1	160853842	TZPVYQKXMGYLQY-UHFFFAOYSA-N	222.288	0.834	70	20	BCID	
C[C@@H]1COCCN1C(=O)[C@H]1CCCCO1	161232345	QDNWGTQZFJHFGG-NXEZZACHSA-N	213.277	0.803	70	20	BCID	
CCn1c(C)nnc1S(=O)(=O)Cl	133381646	BWOAUBMRSKCDGA-UHFFFAOYSA-N	209.658	0.534	70	20	BCID	
CSCCCCC(=O)N1CCNCC1	159361613	HWLGXNMCIDGNTR-UHFFFAOYSA-N	216.350	0.952	70	20	BCID	
CCOCCCNC(=O)[C@@H](C)N(C)C[C@@H](C)O	159394215	QNRYAKSCNZSVDV-GHMZBOCLSA-N	246.351	0.230	70	20	BCID	
CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C(C)(C)C	159633535	GUPKKCHJRBEPHU-VXNVDRBHSA-N	230.308	0.034	70	20	BCID	
CS[C@@H](C)CC(=O)Nc1nnc[nH]1	160241156	KUSBZBALIZUJPO-YFKPBYRVSA-N	200.267	0.885	70	20	BCID	
CCCNC(=O)CCNC(=O)CO[C@H](C)CC	160244624	XLDSVWHGYDLHPB-SNVBAGLBSA-N	244.335	0.834	70	20	BCID	
CCCOCC(=O)NC1(CO)CCC1	218175897	PKEDFPCIKRPCGL-UHFFFAOYSA-N	201.266	0.444	70	20	BCID	
CCO[C@@H]1CCCN(S(=O)(=O)Cl)C1	105378988	LZALRPAZLYDJJX-SSDOTTSWSA-N	227.713	0.971	70	20	BCID	
O=C(NCC1CCOCC1)N[C@@H]1CCOC1	159420918	KXAMUWULWJKNLA-SNVBAGLBSA-N	228.292	0.501	70	20	BCID	
Cn1ccc(NC(=O)N[C@@H]2CCOC2)n1	159431783	SPCSPGUCEMSIJO-SSDOTTSWSA-N	210.237	0.331	70	20	BCID	
CS[C@H](C)CNC(=O)N[C@@H]1C=C[C@H](CO)C1	159920793	PTHHYXRVEICDPO-KXUCPTDWSA-N	244.360	0.974	70	20	BCID	
NCC[C@H]1CCN(C(=O)[C@H]2CCCO2)C1	159992851	OPGJRIICMSAHIK-VHSXEESVSA-N	212.293	0.363	70	20	BCID	
CCCN(CC)C(=O)[C@@H](N)C(=O)OCC	160050855	LBOWGXCGSDLYCJ-MRVPVSSYSA-N	216.281	0.135	70	20	BCID	
CCNC(=O)CNCc1ccncc1C	160609388	BTYGKHKJDVRSLW-UHFFFAOYSA-N	207.277	0.616	70	20	BCID	
COC(=O)[C@H]1CCCN1S(=O)(=O)Cl	104227725	XQDKBOAVUMETTB-RXMQYKEDSA-N	227.669	0.107	70	20	BCID	
CC(C)COC(=O)N1CCN(CCCO)CC1	159561306	LSQOBOQIDIEDHX-UHFFFAOYSA-N	244.335	0.779	70	20	BCID	
CNC(=O)CCN(C)CCOCC1CC1	160409921	NZIIXGICSMZUAT-UHFFFAOYSA-N	214.309	0.481	70	20	BCID	
COC(=O)[C@H]1CCCN(S(=O)(=O)Cl)C1	104227696	QEJPSWQMFANDAL-LURJTMIESA-N	241.696	0.355	70	20	BCID	
COCCN(C)CCN[C@@H](C)C1CCOCC1	159430948	POAIHPXGYVVXLV-LBPRGKRZSA-N	244.379	0.969	70	20	BCID	
CCN(C)S(=O)(=O)NCc1ccncc1	159559994	DZDVKFUMHMDXSQ-UHFFFAOYSA-N	229.305	0.368	70	20	BCID	
CC(C)OCC(=O)N[C@]1(C)CCOC1	160210250	DOWOPOYXVRWSNL-SNVBAGLBSA-N	201.266	0.707	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)CNCC2CC2)C1	160963285	RWLDOJFYRDZNCF-MNOVXSKESA-N	225.336	0.372	70	20	BCID	
C[C@]1(O)CCCN(C(=O)c2cnns2)C1	161024370	SDAOFTRFSVLQNJ-VIFPVBQESA-N	227.289	0.525	70	20	BCID	
Cn1c(C(F)F)nnc1S(=O)(=O)Cl	227588831	DNHWVZYYYFWSOJ-UHFFFAOYSA-N	231.611	0.680	70	20	BCID	
CNC[C@@H](C)C(=O)N1CC[C@]2(CCNC2)C1	159392357	GJIGOOXYBKLRIA-PWSUYJOCSA-N	225.336	0.054	70	20	BCID	
CCc1nnc(NC(=O)NC2(CO)CC2)s1	160012520	ZOGQUSRYCJSBTP-UHFFFAOYSA-N	242.304	0.747	70	20	BCID	
OCCSCc1nnc2n1CCCC2	217321392	PIHKYXSLMXICQY-UHFFFAOYSA-N	213.306	0.840	70	20	BCID	
Cc1cccc2[nH]c(CCC(=O)NCCO)nc12	159503871	GBALPSQSWWFJMQ-UHFFFAOYSA-N	247.298	0.912	70	20	BCID	
Nc1nc(Cl)cc(NCCn2ccnn2)n1	159623105	QWSBJJDRGRBSEM-UHFFFAOYSA-N	239.670	0.416	70	20	BCID	
Cc1ccc(C(=O)N2CC[C@@H](N)C2)cc1N	160267980	DXDYEWPBSYUUFW-SNVBAGLBSA-N	219.288	0.750	70	20	BCID	
CN(CC(=O)NC1(CO)CC1)Cc1ccccc1	160298203	FTPSNCOPLGOPQH-UHFFFAOYSA-N	248.326	0.760	70	20	BCID	
CN1CCN(Cc2cnc3ccccn23)CC1=O	160565515	JKNGPMZWWTYSHV-UHFFFAOYSA-N	244.298	0.608	70	20	BCID	
CC(C)[C@@H](O)CCNC(=O)[C@H]1CCCCN1	160897050	ZWVDRTAMSREIJQ-MNOVXSKESA-N	228.336	0.652	70	20	BCID	
COC(=O)[C@H](NC(=O)CN)C1CCCCC1	217831505	BZDWUNFBUKICPP-SNVBAGLBSA-N	228.292	0.183	70	20	BCID	
CC[C@@H](O)CCN[C@H]1CCCNC(=O)C1	218776464	GOLDVGCKTBHZDW-VHSXEESVSA-N	214.309	0.406	70	20	BCID	
CCOC(C)(C)CNCCS(C)(=O)=O	159381661	JYTXAYFIAFZCLC-UHFFFAOYSA-N	223.338	0.436	70	20	BCID	
CCOCC(=O)Nc1c[nH]c(=O)c(C)c1	159590775	SFZCKDLYDHGTHX-UHFFFAOYSA-N	210.233	0.658	70	20	BCID	
Cn1cnnc1CN1CCN(CC2CC2)CC1	160815559	KEYWILLYNWPKJO-UHFFFAOYSA-N	235.335	0.343	70	20	BCID	
COCCOCCNC(=O)C1(CCOC)CC1	160227240	WNJYWPCBMDAJPU-UHFFFAOYSA-N	245.319	0.582	70	20	BCID	
CC[C@H](CSC)NC[C@@H](O)COC	217330590	UCMJCQSHKGTEDY-RKDXNWHRSA-N	207.339	0.725	70	20	BCID	
CC[C@H](O)CCNC(=O)[C@@H]1CC[C@@H](C)O1	218088190	IRNLAULKJUOMMU-UTLUCORTSA-N	215.293	0.831	70	20	BCID	
CC[C@@H](O)CNC[C@H](C)N(C)C1CC1	218674740	JXAHQODTLUYLQU-GXSJLCMTSA-N	200.326	0.830	70	20	BCID	
CC(=O)NCCNC(=O)N1CC[C@@H](C)[C@@H](C)C1	159793173	XEOIKVAYOGRIRM-ZJUUUORDSA-N	241.335	0.810	70	20	BCID	
CC[C@@H](CCO)NC(=O)CCCOC	160127240	ICMVHCOLYHNTBZ-VIFPVBQESA-N	203.282	0.690	70	20	BCID	
CC(C)OCC(=O)N[C@@]1(C)CCOC1	160210387	DOWOPOYXVRWSNL-JTQLQIEISA-N	201.266	0.707	70	20	BCID	
Cn1cc(C(=O)NC2(CO)CCC2)cn1	161106260	QPKAAFJQEHOWTP-UHFFFAOYSA-N	209.249	0.065	70	20	BCID	
CC[C@@H](NC(=O)CN(C)C)c1ncc[nH]1	218083501	HJDUXOULKNAYPW-MRVPVSSYSA-N	210.281	0.539	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)[C@]2(C)CCCO2)C1	159454342	BGHNHXTVSCHKSR-JQWIXIFHSA-N	240.303	0.293	70	20	BCID	
CCc1nc(CN(C)C[C@@H]2CCC[C@@H]2O)n[nH]1	159531772	WUYKKFJKDSEGSX-UWVGGRQHSA-N	238.335	0.960	70	20	BCID	
C[C@H](O)CCNC(=O)[C@@]1(C)CCCCN1	159564307	OGUROWWFYZHMRN-GXSJLCMTSA-N	214.309	0.406	70	20	BCID	
NCC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1	159993124	OPGJRIICMSAHIK-ZJUUUORDSA-N	212.293	0.363	70	20	BCID	
CC[C@H](COC)NC(=O)NCCn1cccn1	160036659	NEJNHXWKVVABFS-SNVBAGLBSA-N	240.307	0.607	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)[C@@H](C)OC	160943357	HMNWJLDLLUXNIU-BDAKNGLRSA-N	200.282	0.232	70	20	BCID	
CNC[C@H]1CCCN1C(=O)[C@H](C)COC	161233858	HXWVFLSFYDNXIY-NXEZZACHSA-N	214.309	0.479	70	20	BCID	
C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)CCO1	159437365	JWRSUTHNKHSJFG-RKDXNWHRSA-N	214.265	0.206	70	20	BCID	
C[C@@H]1C(=O)NCCN1Cc1cnc2ccccn12	159624370	VIGOIIJYXAGKQC-SNVBAGLBSA-N	244.298	0.655	70	20	BCID	
O=C([C@@H]1CCCO1)N1CCOc2ccncc21	160243693	PMGCVLNYWUVJGH-NSHDSACASA-N	234.255	0.986	70	20	BCID	
C[C@H]1NCCC[C@H]1NC(=O)c1csnn1	160539815	POKZLJZDDHLTOD-RNFRBKRXSA-N	226.305	0.408	70	20	BCID	
COCCN(CCOC)C(=O)[C@@H]1CCCCO1	160685386	WKMZPGLUKASXME-NSHDSACASA-N	245.319	0.677	70	20	BCID	
CCCSCC(=O)NCC[C@@H](O)COC	161050147	HZEIDLDOHGNOJY-SECBINFHSA-N	235.349	0.643	70	20	BCID	
C[C@@H]1CCC[C@H](OCC(=O)N2CC(O)C2)C1	161483697	WVQATBYKJHFYPS-KOLCDFICSA-N	227.304	0.785	70	20	BCID	
C[C@H](CO)N(C)C(=O)COC(C)(C)C	159455270	BSXRAJSVGQHJAE-MRVPVSSYSA-N	203.282	0.641	70	20	BCID	
CN(CC(=O)OC(C)(C)C)CC(C)(CO)CO	159515426	KZVRAEVEDUMRKC-UHFFFAOYSA-N	247.335	0.251	70	20	BCID	
COC[C@H](NC(=O)N[C@@H](C)CCO)C1CC1	160203000	LNIRETCCVCVHTB-WPRPVWTQSA-N	230.308	0.482	70	20	BCID	
Cc1cccc(Cn2cnccc2=O)n1	160243638	GHCAYCJPBGSOAR-UHFFFAOYSA-N	201.229	0.995	70	20	BCID	
COC(=O)CN1CCC(NC(C)C)CC1	160499388	WYEBLNUDPBCSLE-UHFFFAOYSA-N	214.309	0.622	70	20	BCID	
Cc1ncccc1CN1CCNC(=O)C1	160511413	HJGQTKVNBSHSKZ-UHFFFAOYSA-N	205.261	0.322	70	20	BCID	
CCC[C@@H](O)CNC[C@@H](O)COCC	217877329	RIUKEFHHNCSFGL-NXEZZACHSA-N	205.298	0.134	70	20	BCID	
CC(C)N(C)C(=O)CS[C@@H](C)CO	160781681	CWESRPLEQDFKBH-QMMMGPOBSA-N	205.323	0.967	70	20	BCID	
CN1C[C@@H](C(=O)NC2CC=CC2)CC1=O	160794464	JINKPXZOIGJKFR-QMMMGPOBSA-N	208.261	0.300	70	20	BCID	
C/C=C/C(=O)NC[C@@](C)(O)CSC	217705403	SQYJHWMYOYQXJM-XNPJLODASA-N	203.307	0.793	70	20	BCID	
CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1345451844	NPPQBHDKUANQQD-UHFFFAOYSA-N	234.252	0.813	70	20	BCID	
CC[C@@H](C)C(=O)NCC1CCN(CCO)CC1	160569867	UEGBUQBEMQCRLT-LLVKDONJSA-N	242.363	0.853	70	20	BCID	
Cc1nccc(C(=O)N[C@H](CCO)C(C)C)n1	160656566	NTOHXROFOOAYIV-SNVBAGLBSA-N	237.303	0.922	70	20	BCID	
COC(=O)[C@@H](C)N(C)CC(OC)OC	218166172	DGBODHYQJZCBKI-SSDOTTSWSA-N	205.254	0.099	70	20	BCID	
Cn1c(C(F)(F)F)nnc1S(=O)(=O)Cl	133419266	UXRZMXAIMRDUNZ-UHFFFAOYSA-N	249.601	0.761	70	20	BCID	
NC(=O)NC(=O)CCN1CC[C@@H]2CCCC[C@@H]21	159596726	BJTPRGZQCMAIMN-UWVGGRQHSA-N	239.319	0.836	70	20	BCID	
CN(CC(=O)N(C)C1CC1)C[C@@H]1CCC[C@@H]1O	159661798	PDJGCEVXEKMSFW-JQWIXIFHSA-N	240.347	0.700	70	20	BCID	
Cn1cnnc1CSCCN1CCOCC1	160031665	HWJCAHSTZMJJDD-UHFFFAOYSA-N	242.348	0.381	70	20	BCID	
O=C(NC[C@@H]1CCCO1)N1CC[C@H](CO)C1	160822644	DUVZRXITTWLXAD-UWVGGRQHSA-N	228.292	0.189	70	20	BCID	
NCCc1nnc2c(Br)nccn12	217399641	XYKCHDJDGDWDIH-UHFFFAOYSA-N	242.080	0.388	70	20	BCID	
Cc1nccc(CS(=O)(=O)Cl)n1	124908337	VQRVWZGUKLBBQG-UHFFFAOYSA-N	206.654	0.854	70	20	BCID	
CCOC(=O)CN(C)C(=O)[C@@H](C)OC	160586947	MUOHYPWBKDNYFP-SSDOTTSWSA-N	203.238	0.043	70	20	BCID	
COCCCNC(=O)[C@@H]1CCCCO1	160943639	XVPJDUGBXJGPEE-VIFPVBQESA-N	201.266	0.708	70	20	BCID	
CC(C)n1nnnc1SCc1nncn1C	161009232	FTCYEQQMUNVHAT-UHFFFAOYSA-N	239.308	0.675	70	20	BCID	
Cn1cnnc1CN1CCC(C)(O)CC1	161222749	ZWHXCQVJSSUHIK-UHFFFAOYSA-N	210.281	0.162	70	20	BCID	
C[C@H](C(=O)N(C)C)N1CCC[C@@H](CN)C1	217552983	ASUIAWSLDXZPFP-ZJUUUORDSA-N	213.325	0.134	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](CC)N(C)C	159557655	LZMVSKCDAUWJJH-UWVGGRQHSA-N	244.335	0.785	70	20	BCID	
N#Cc1cccn(CCS(=O)(=O)F)c1=O	883953319	QLYKPSMQUVEICP-UHFFFAOYSA-N	230.220	0.019	70	20	BCID	
CC(C)CNC(=S)N[C@H]1CCOC1	159580480	DQPWAQAORQZCSR-QMMMGPOBSA-N	202.323	0.895	70	20	BCID	
CC[C@](C)(CO)NC(=O)c1ccnnc1	159600424	NJXVFDSJVWLBDN-SNVBAGLBSA-N	209.249	0.367	70	20	BCID	
CCN(CCCO)C(=O)c1ccncc1	160311501	URGBZPHOFXDAJD-UHFFFAOYSA-N	208.261	0.926	70	20	BCID	
CC(=O)Nc1ccccc1CN1CCNC(=O)C1	160511554	CTVRKVPVBBNUQA-UHFFFAOYSA-N	247.298	0.577	70	20	BCID	
COc1cc(NC[C@@]2(OC)CCOC2)ncn1	160650994	NLTMQBMGRKLGHL-NSHDSACASA-N	239.275	0.703	70	20	BCID	
CS(=O)(=O)[C@@H]1CCN(Cc2cncs2)C1	217632499	XFKFIQNJFPSTRJ-SECBINFHSA-N	246.357	0.762	70	20	BCID	
COC(=O)c1cncc(CS(=O)(=O)Cl)c1	257911280	IOXGUAVERBSYHC-UHFFFAOYSA-N	249.675	0.937	70	20	BCID	
CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1262673069	XZEOLKDTFVXMNS-UHFFFAOYSA-N	234.252	0.765	70	20	BCID	
O=S(=O)(Cl)CCCOC[C@@H]1CCOC1	112155684	OUTXKRHWKMENMW-QMMMGPOBSA-N	242.724	0.998	70	20	BCID	
CCOC(=O)NCCCC(=O)N(C)C[C@@H](C)O	160092337	FJIMUSKAYKXDGP-SECBINFHSA-N	246.307	0.352	70	20	BCID	
CN[C@@H]1CCN(C(=O)[C@@H](C)COC)C1	160582731	BZVBCBWASKJMSU-DTWKUNHWSA-N	200.282	0.089	70	20	BCID	
CCN(CC)C(=O)CS[C@H](C)CO	160769416	CXVNAKWVIDSQJB-MRVPVSSYSA-N	205.323	0.969	70	20	BCID	
CCCNS(=O)(=O)NCC(N)(CC)CC	160941133	DQLSNMYEXZVPRU-UHFFFAOYSA-N	237.369	0.338	70	20	BCID	
O=C(NC1(CO)CCC1)c1cnccn1	161100053	SSGHCRMSXDKWJA-UHFFFAOYSA-N	207.233	0.121	70	20	BCID	
CCN(C)C(=O)CN[C@@H]1CCC[C@@H](N)C1	217354394	JRSNIDAZRZWWCE-NXEZZACHSA-N	213.325	0.324	70	20	BCID	
CONC(=O)c1cn(C)nc1C(F)F	217830039	AOVOPXJEOAMRMY-UHFFFAOYSA-N	205.164	0.649	70	20	BCID	
CCNC(=O)N1CCN(C(=O)C2(C)CC2)CC1	160113258	RMNKCVFXHSRSLY-UHFFFAOYSA-N	239.319	0.660	70	20	BCID	
C[C@H]1CC[C@H](NS(=O)(=O)NC2CC2)C1	160465369	CTAKYZLSKQLDBJ-CBAPKCEASA-N	218.322	0.761	70	20	BCID	
O=C(NC1(CO)CCC1)c1ccccn1	161103449	WKEJUDWAWYWDFO-UHFFFAOYSA-N	206.245	0.726	70	20	BCID	
CNCC(=O)Nc1ccc(OC)c(N)c1	161168403	HOCACAVSQITKFI-UHFFFAOYSA-N	209.249	0.435	70	20	BCID	
CCn1cnnc1CNCc1cnc[nH]1	218111308	SLVVRLODUZJRQP-UHFFFAOYSA-N	206.253	0.311	70	20	BCID	
CCc1onc(N)c1S(=O)(=O)Cl	232305931	JGJBPZXAQKKSEH-UHFFFAOYSA-N	210.642	0.747	70	20	BCID	
CC(C)c1cc(C(=O)NC2(CO)CC2)n[nH]1	160315854	VKOZKQSGTKWBGL-UHFFFAOYSA-N	223.276	0.788	70	20	BCID	
CC(=O)NCC(=O)N(C)Cc1cccn1C	160534906	SPQWSXWEJVETOP-UHFFFAOYSA-N	223.276	0.120	70	20	BCID	
CCc1ncnc(N(C)[C@H](C)CO)c1F	218081489	PZMNEBCUTPNLDS-SSDOTTSWSA-N	213.256	0.995	70	20	BCID	
O=C(NCCCO)NCCc1cscn1	159558820	KXWDUHUWKRAYLG-UHFFFAOYSA-N	229.305	0.367	70	20	BCID	
CO[C@H](C)C(=O)N[C@H](CN)CC(C)C	160935368	AOBUGPKVVFIMQS-BDAKNGLRSA-N	202.298	0.511	70	20	BCID	
CSC[C@@](C)(O)CNC(=O)c1cnc[nH]1	217618623	VURBFUOBWBEOEI-VIFPVBQESA-N	229.305	0.254	70	20	BCID	
CC[C@](C)(O)CNC(=O)[C@@H]1CC[C@@H](C)O1	217845118	QRNRWKUOHPKSLY-YWVKMMECSA-N	215.293	0.831	70	20	BCID	
O=C(CC1CCCC1)N1C[C@@H](O)C[C@@H]1CO	218409689	KRGWMPALVPVKGT-MNOVXSKESA-N	227.304	0.521	70	20	BCID	
COC[C@H](C)C(=O)N[C@@H]1CCN(C(C)=O)C1	159826395	RCTCALWMUUWDEY-WCBMZHEXSA-N	228.292	0.006	70	20	BCID	
CO[C@H](C)C(=O)N1CC[C@H](CCN)C1	159987848	GFZPJQAYVUMQRW-BDAKNGLRSA-N	200.282	0.219	70	20	BCID	
C1CO[C@H](CN2CCC3(C2)OCCO3)C1	160710179	NKJAABUPWCBBLK-JTQLQIEISA-N	213.277	0.614	70	20	BCID	
O=C(NCCCO)c1ccnc(Cl)c1F	161445394	HHRROIXNURQXAL-UHFFFAOYSA-N	232.642	0.986	70	20	BCID	
O=C1C[C@H](C(=O)NC2CC=CC2)CCN1	159448061	TZPDTONVBIGHQJ-MRVPVSSYSA-N	208.261	0.347	70	20	BCID	
CCSCCN1CCC[C@H]1C(=O)NC	159555462	NXJGGCVTTDUPOQ-VIFPVBQESA-N	216.350	0.950	70	20	BCID	
C[C@H]1CN(CCn2ccnc2)[C@H](C)CO1	159715954	OJTRLQYECCTDFY-MNOVXSKESA-N	209.293	0.992	70	20	BCID	
CN[C@H]1CCN(C(=O)[C@H]2CSCCS2)C1	160774847	LWEGLMDFENUNFK-DTWKUNHWSA-N	246.401	0.655	70	20	BCID	
CC(C)[C@H](O)CCNC(=O)[C@@H]1CCCNC1	160898457	OBQIALYKXLEFNK-GHMZBOCLSA-N	228.336	0.509	70	20	BCID	
CC[C@@](C)(O)CN1CCC(CC(=O)NC)CC1	161361038	LKAARDLSXXIPGV-CYBMUJFWSA-N	242.363	0.996	70	20	BCID	
CCc1nc(CN2CCC[C@@H](C)[C@@H]2CO)n[nH]1	159442501	STXKMFUYFXRSMM-ZJUUUORDSA-N	238.335	0.960	70	20	BCID	
C[C@@H](CO)CNC(=O)COCC1CC1	160483341	ZWTLJSBESULTTB-MRVPVSSYSA-N	201.266	0.158	70	20	BCID	
CCO[C@H]1CCCN(S(=O)(=O)Cl)C1	105378993	LZALRPAZLYDJJX-ZETCQYMHSA-N	227.713	0.971	70	20	BCID	
O=C(CSC[C@@H]1CCCCO1)NCCO	159407351	RSKVZQOIHUPNMP-VIFPVBQESA-N	233.333	0.397	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)c1cccnc1	159823545	XCVYAVBRWMYBRW-UHFFFAOYSA-N	235.287	0.665	70	20	BCID	
CCOCCNC(=O)N[C@@H]1CCC[C@H]1OC	159966006	RAJVQKXSSLQNIT-NXEZZACHSA-N	230.308	0.890	70	20	BCID	
CC[C@H](O)CCNCc1cn(C)nc1C	160167422	SFSDMNSXLXZGMO-NSHDSACASA-N	211.309	0.979	70	20	BCID	
O=C(NCC1=CCNCC1)[C@@H]1CCCO1	160512244	MGTITUZRFLQUGG-JTQLQIEISA-N	210.277	0.201	70	20	BCID	
C[C@@H](CNC(=O)N[C@H]1CCOC1)N(C)C	159535905	KSXHEMDXQUAWTH-IUCAKERBSA-N	215.297	0.025	70	20	BCID	
NCC[C@@H]1CCN(C(=O)c2cc[nH]n2)C1	159985799	PHPMRXHABDLDIF-MRVPVSSYSA-N	208.265	0.221	70	20	BCID	
CCOCCO[C@@H](C)C(=O)NC[C@@H](C)CO	160515890	SPFQCXAXJBPOOY-ZJUUUORDSA-N	233.308	0.173	70	20	BCID	
CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)C(C)C	160802807	NXQXIYPTGYAXRZ-IUCAKERBSA-N	230.308	0.285	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@H](C)SC	161333805	KYNWAQSGJNAPJA-JGVFFNPUSA-N	221.322	0.252	70	20	BCID	
CCOC(=O)[C@H](NC(=O)CNC)[C@H](C)CC	161505658	HFVDFOBZRQTXGU-PSASIEDQSA-N	230.308	0.300	70	20	BCID	
CO[C@@H](C)CN(C)S(=O)(=O)Cl	307689060	MTFNYURJGPZURG-YFKPBYRVSA-N	201.675	0.437	70	20	BCID	
O=C(NC[C@@H]1CCCOC1)N[C@@H]1CCOC1	159389478	NPTBFMIKCLASTE-VHSXEESVSA-N	228.292	0.501	70	20	BCID	
O=C(NC1CC=CC1)c1cc[nH]c(=O)c1	159438696	NUCJTZPEYRWLED-UHFFFAOYSA-N	204.229	0.823	70	20	BCID	
Cc1ncoc1C(=O)N1CCC[C@H]1CO	159509896	PTTDEUNIAXLQHN-QMMMGPOBSA-N	210.233	0.580	70	20	BCID	
CCN1CCN(C(=O)N[C@@H]2CCOC2)CC1	159551974	PWRSRWUWMMHZGV-SNVBAGLBSA-N	227.308	0.122	70	20	BCID	
CC(C)[C@@H](C(=O)N1CCCNCC1)N(C)C	160824358	VBOPRJOTXSNNDY-NSHDSACASA-N	227.352	0.395	70	20	BCID	
O[C@@H]1CCOC[C@H]1Nc1ncnc2[nH]ccc12	217367798	YFWAXRFEOLZRAS-RKDXNWHRSA-N	234.259	0.520	70	20	BCID	
CC[C@H](CCO)NCc1ncnn1CC	217800091	HMFBMRMGZJFAKB-SECBINFHSA-N	212.297	0.549	70	20	BCID	
Cc1cc(C(=O)N(CC(N)=O)CC(C)C)no1	159791574	ZVPYOQDJALSBTM-UHFFFAOYSA-N	239.275	0.567	70	20	BCID	
CC[C@@](C)(O)CNS(=O)(=O)Cc1ccon1	160297379	QKZTWZHXAIIDJC-SECBINFHSA-N	248.304	0.255	70	20	BCID	
Cc1nccn1CCN(C)C(C)(C)CO	160387668	IYFIMZXTTFBBCP-UHFFFAOYSA-N	211.309	0.894	70	20	BCID	
CCCSCC(=O)N1CC[C@H](NC)C1	160595420	AKCLEXHRNVMZPL-VIFPVBQESA-N	216.350	0.950	70	20	BCID	
CCOC(=O)CCN1CCCS(=O)(=O)CC1	217933687	OIOJQIHJTPXDNR-UHFFFAOYSA-N	249.332	0.060	70	20	BCID	
CC(C)c1nc(C(=O)NCCO)cs1	159469678	KWQKENIIESRIFG-UHFFFAOYSA-N	214.290	0.989	70	20	BCID	
CCN(CCCO)C(=O)c1cc(C)on1	160292866	ZEBHQSCVZVDWPD-UHFFFAOYSA-N	212.249	0.828	70	20	BCID	
COc1ccc(C)cc1Cn1ncn(C)c1=O	160783046	KRUHHTVLQDHPQC-UHFFFAOYSA-N	233.271	0.947	70	20	BCID	
COCC[C@@H](C)NC(=O)N1CCC[C@](C)(O)C1	161465647	KASUUEPUTUYUEM-PWSUYJOCSA-N	244.335	0.968	70	20	BCID	
Cc1cc(NC(=O)c2ccn(C)n2)[nH]n1	218196741	ZBYXOAHHIOWLFR-UHFFFAOYSA-N	205.221	0.704	70	20	BCID	
C[C@H](CN)C(=O)N1CCO[C@@H]2CCC[C@H]21	218386238	CDMHNSTZBRPWLR-OPRDCNLKSA-N	212.293	0.361	70	20	BCID	
COC(=O)C1(CS(=O)(=O)F)CCOCC1	675064485	KCVBMRZFXJKZJD-UHFFFAOYSA-N	240.252	0.256	70	20	BCID	
CCN(CCCO)C(=O)[C@H]1CCCO1	160300541	NABGUZQYQFPELH-SECBINFHSA-N	201.266	0.396	70	20	BCID	
C[C@@H](NS(=O)(=O)NC1CC1)c1ncc[nH]1	160804483	UHRSRFRFSBOVLS-ZCFIWIBFSA-N	230.293	0.057	70	20	BCID	
CC[C@H](CO)N1CCN(C[C@](C)(O)CC)CC1	161302960	MRFBBBVICKURLR-CHWSQXEVSA-N	244.379	0.536	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)CCn2cccn2)C1	161437275	MHYPHLCIPPLHJG-MNOVXSKESA-N	236.319	0.659	70	20	BCID	
CCc1nc(CN2CCc3[nH]ncc3C2)n[nH]1	159596876	JNCKFEOIFAFTNY-UHFFFAOYSA-N	232.291	0.649	70	20	BCID	
CC[C@H](N)C(=O)N[C@H](CCO)C(C)C	159600187	BGZSUJIFDZUBGZ-DTWKUNHWSA-N	202.298	0.247	70	20	BCID	
CCC[C@H](C)NC(=O)[C@@H](N)C(=O)OCC	160040098	XWOHBPMFRVAUQC-JGVFFNPUSA-N	216.281	0.182	70	20	BCID	
CN(Cc1cccn1C)C(=O)CN1CCCC1=O	160607787	RMFIGDGXEHEGPX-UHFFFAOYSA-N	249.314	0.606	70	20	BCID	
C[C@H](CC(N)=O)NC(=O)c1cccc(F)n1	160737104	ASBYLCJRIFYCSH-ZCFIWIBFSA-N	225.223	0.214	70	20	BCID	
CC(C)[C@@H](O)CCNC(=O)[C@H]1CCCNC1	160898801	OBQIALYKXLEFNK-QWRGUYRKSA-N	228.336	0.509	70	20	BCID	
COCCOCCC(=O)N[C@H](CO)CC(C)C	161134048	DFQFZZHBJKHLCZ-NSHDSACASA-N	247.335	0.563	70	20	BCID	
CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](C)O	218065167	DMFHJJRNUMXFOQ-IUCAKERBSA-N	229.276	0.310	70	20	BCID	
CCCCN(CCOC)C(=O)[C@@H]1CSCN1	159550624	PTGWLFTYPYBEFD-JTQLQIEISA-N	246.376	0.924	70	20	BCID	
NCC[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1	159999779	LCNZXGBAHSAPEZ-VHSXEESVSA-N	212.293	0.220	70	20	BCID	
CC(C)C[C@@H](CO)NC(=O)[C@@]1(O)CCSC1	160629383	DNNBYZHEVXPMQT-GXSJLCMTSA-N	247.360	0.378	70	20	BCID	
C[C@H]1CC[C@H](C)N1C(=O)Cn1cnnn1	161428229	FBDDLGLNLCUIBX-YUMQZZPRSA-N	209.253	0.073	70	20	BCID	
O=C(CCl)NC[C@H](O)COc1ccccc1	165653020	KKGHDUNOKNZOOV-VIFPVBQESA-N	243.690	0.781	70	20	BCID	
C[C@H]1CC[C@H](C)N1C(=O)c1ccc(=O)n(C)n1	161411647	ONDPJUOSVSYKMY-IUCAKERBSA-N	235.287	0.793	70	20	BCID	
O=C1C[C@@H](C(=O)NC2CC=CC2)CCN1	159448206	TZPDTONVBIGHQJ-QMMMGPOBSA-N	208.261	0.347	70	20	BCID	
C[C@H](O)C[C@@H](C)NC(=O)c1ccnnc1	159766828	RRAXAYOTJCBTOZ-SFYZADRCSA-N	209.249	0.366	70	20	BCID	
CC(C)COC[C@H](O)CN1CCCC[C@@H]1CO	159802183	WPZVWTCTIPLUJC-CHWSQXEVSA-N	245.363	0.867	70	20	BCID	
CC(C)N(C)CC(=O)NCC(C)(C)N	159939221	LMZFHBSISVOTLP-UHFFFAOYSA-N	201.314	0.180	70	20	BCID	
CO[C@H](C)C(=O)NC1(CN)CCCC1	160933487	CPBDLWFZZUJZFC-MRVPVSSYSA-N	200.282	0.409	70	20	BCID	
CO[C@H](C)C(=O)N(C)CC(C)(C)CN	160943878	FUVNLFDFIGDACG-MRVPVSSYSA-N	202.298	0.465	70	20	BCID	
O=C(CCn1cncn1)NC1CC=CC1	160991398	ASXPRRSEIBKXJV-UHFFFAOYSA-N	206.249	0.503	70	20	BCID	
C[C@H](N)C(=O)N(C)CCC1CCOCC1	161402086	HMMDFRPZLVAEEW-VIFPVBQESA-N	214.309	0.609	70	20	BCID	
COCCN[C@@H]1C[C@@H](C)N(C)C[C@@H]1C	217904314	GXBHJFXQMYMVDO-HBNTYKKESA-N	200.326	0.951	70	20	BCID	
CCC[C@H](O)CNC(=O)[C@H]1CCN[C@@H]1C	217965945	DZYHONPPTJKILR-UTLUCORTSA-N	214.309	0.262	70	20	BCID	
O=S(=O)(Cl)[C@@H]1CCO[C@@]2(CCOC2)C1	125802236	KHULDIMOWUWRKY-SFYZADRCSA-N	240.708	0.893	70	20	BCID	
COCC1CCN(C(=O)N[C@H]2CCOC2)CC1	159471798	FASZTCLEJQSVKU-NSHDSACASA-N	242.319	0.843	70	20	BCID	
COC[C@H](C)C(=O)N[C@H]1CCN(C(C)=O)C1	159826604	RCTCALWMUUWDEY-WPRPVWTQSA-N	228.292	0.006	70	20	BCID	
CC[C@H](C)OCC(=O)N(C)CCOC	159957179	KWXBRLZHPXXXQV-VIFPVBQESA-N	203.282	0.906	70	20	BCID	
CSCC[C@@H](N)C(=O)NCCC1CC1	160888443	FGPYDHKYFNCGDI-SECBINFHSA-N	216.350	0.983	70	20	BCID	
CCCC[C@H](COC)NC(=O)[C@@H](C)N	161165159	KJOGZEUCAVLDGE-RKDXNWHRSA-N	202.298	0.655	70	20	BCID	
CSC[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1C	217706055	PSJBAAQZMTVHEK-OYNCUSHFSA-N	217.334	0.873	70	20	BCID	
C[C@H]1[C@@H](S(=O)(=O)Cl)CCS1(=O)=O	306322450	KDLPPSUBPILDNH-WHFBIAKZSA-N	232.710	0.131	70	20	BCID	
CC[C@H](O)CCNC(=O)NCCN(CC)CC	160638281	VJVISRSZXMOWJN-NSHDSACASA-N	245.367	0.788	70	20	BCID	
O=C(NCCCn1ccnc1)[C@H]1CCCCO1	160940314	XGFSFAKNNCZHLC-LLVKDONJSA-N	237.303	0.959	70	20	BCID	
C[C@H](NCCS(C)(=O)=O)c1cscn1	161177241	CGUIZOQZVCDEPK-ZETCQYMHSA-N	234.346	0.838	70	20	BCID	
C[C@H](N)C(=O)N[C@H]1CCN2CCCC[C@@H]12	217807325	SZPAPAYGOCOIHD-GUBZILKMSA-N	211.309	0.077	70	20	BCID	
CC[C@@H](O)CNC[C@@H](C)N(C)C1CC1	218674586	JXAHQODTLUYLQU-MWLCHTKSSA-N	200.326	0.830	70	20	BCID	
CC[C@H](CCO)NCc1cn(C)nc1C	160155057	QAKSAFRWQUGXDV-LLVKDONJSA-N	211.309	0.979	70	20	BCID	
COc1cccnc1NC[C@H]1COCCO1	160213400	IISVKCGLOXZPSI-VIFPVBQESA-N	224.260	0.918	70	20	BCID	
CC(=O)N[C@@H]1CCN(C(=O)NC2CCCC2)C1	160800140	KREUCCZRXLAQJC-LLVKDONJSA-N	239.319	0.849	70	20	BCID	
CCN1CCO[C@H](CS(=O)(=O)Cl)C1	157449406	OEHDLIJCPQYHTC-ZETCQYMHSA-N	227.713	0.276	70	20	BCID	
CCC[C@@H](O)CNC(=O)N[C@@H]1CCOC1	159563383	VYWBPWSZBMASPM-RKDXNWHRSA-N	216.281	0.236	70	20	BCID	
COC(=O)[C@H](C)NC(=O)[C@H]1CCC(=O)C[C@@H]1C	159692865	AQYOUOWKUWZQJK-NRPADANISA-N	241.287	0.669	70	20	BCID	
CNC[C@H](C)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159877204	CIZXOMLRVCTQOV-GARJFASQSA-N	225.336	0.195	70	20	BCID	
CCOCCCNC(=O)NCC[C@@H](O)CC	160665498	MDHYHDJWJGUCAJ-JTQLQIEISA-N	232.324	0.873	70	20	BCID	
CC(C)(C)OC(=O)CSCCC(N)=O	160983257	BGVYMFWXLYPLQI-UHFFFAOYSA-N	219.306	0.937	70	20	BCID	
Nc1ccccc1C(=O)N[C@@H]1CCNC1	161268356	YLWCFPWOGYOZAS-MRVPVSSYSA-N	205.261	0.361	70	20	BCID	
CN1CCC(C(=O)N2CCC[C@H](CN)C2)CC1	218648349	SLQAFAJQKMVJFM-LLVKDONJSA-N	239.363	0.526	70	20	BCID	
CCC[C@H](N)C(=O)NC(C)(C)C(=O)N(C)C	159408864	NPWYIMGDQZPXKO-QMMMGPOBSA-N	229.324	0.097	70	20	BCID	
CN[C@@H]1CCN(C(=O)[C@@H](C)OCC2CC2)C1	160619600	WTIZQIUUINTSER-MWLCHTKSSA-N	226.320	0.622	70	20	BCID	
COCCN(CCOC)C(=O)[C@H]1CCCCO1	160685509	WKMZPGLUKASXME-LLVKDONJSA-N	245.319	0.677	70	20	BCID	
C[C@@H]1CN(S(=O)(=O)Cl)CCCO1	108586183	RRCODHHZPNRBLA-ZCFIWIBFSA-N	213.686	0.581	70	20	BCID	
COC(=O)c1cncc(N(C)[C@@H]2CCOC2)n1	159683079	GTVXFGKZSGTDKT-MRVPVSSYSA-N	237.259	0.488	70	20	BCID	
CCCNS(=O)(=O)N[C@H](CO)CC(C)C	160666682	IWIGFWOIOOAUTO-VIFPVBQESA-N	238.353	0.227	70	20	BCID	
CC(C)[C@@H](N)CNC(=O)[C@@]1(C)CCCNC1	161281632	GYTYPFDQCLKUJB-JQWIXIFHSA-N	227.352	0.476	70	20	BCID	
C[C@H](C(=O)N(C)C)N1CCC[C@@H](N(C)C)C1	217146636	FKJJRDLOUSEZJL-GHMZBOCLSA-N	227.352	0.489	70	20	BCID	
Cc1nn(C)c2ncc(S(=O)(=O)F)cc12	238850847	CYVQLWNEFCLCQN-UHFFFAOYSA-N	229.236	0.935	70	20	BCID	
COCCC1(C(=O)NCC(=O)N(C)C)CCC1	159410291	NJXHJPVAEHAHMD-UHFFFAOYSA-N	242.319	0.398	70	20	BCID	
C[C@@H](CCN(C)C)NC(=O)N[C@H]1CCOC1	159424494	NZLLOFUYVVACHJ-UWVGGRQHSA-N	229.324	0.415	70	20	BCID	
CCCOCC(=O)N[C@@H](C)CC(=O)OCC	160676130	JMIXJTFHPMZICG-VIFPVBQESA-N	231.292	0.871	70	20	BCID	
C[C@H](N[C@H](C)CC(N)=O)c1cnccn1	160680094	CGASADDYIGYYIC-SFYZADRCSA-N	208.265	0.391	70	20	BCID	
Cc1n[nH]cc1CNS(=O)(=O)NC(C)C	160771224	WQUSFVFSDDISKO-UHFFFAOYSA-N	232.309	0.051	70	20	BCID	
C[C@@H]1COCCN(S(=O)(=O)Cl)C1	307217721	MXXAZLBEDGYQNY-LURJTMIESA-N	213.686	0.438	70	20	BCID	
COC(=O)[C@@H](C)NC(=O)c1ocnc1C	159606594	XKKVWHUUGZDEGH-ZCFIWIBFSA-N	212.205	0.274	70	20	BCID	
CC(C)NS(=O)(=O)N[C@@H]1CCCC[C@H]1N	160830891	SMJUOKIQIAWUDU-RKDXNWHRSA-N	235.353	0.089	70	20	BCID	
CNC[C@@H]1CCCN(C(=O)[C@H](C)OC)C1	160916253	JJNMMFRDZCPNMA-UWVGGRQHSA-N	214.309	0.479	70	20	BCID	
CCCNS(=O)(=O)N1CC[C@@H](N)C[C@@H]1C	160947184	ADCXOPVAAPMRCS-DTWKUNHWSA-N	235.353	0.042	70	20	BCID	
CO[C@H](C)C(=O)N1CCC[C@@H](CCO)C1	160961126	DNEWVWRXZSUOKR-ZJUUUORDSA-N	215.293	0.642	70	20	BCID	
CCN(C)S(=O)(=O)NCC1(C2CC2)CC1	160116148	JSGTZYUIUWUQNY-UHFFFAOYSA-N	232.349	0.963	70	20	BCID	
C[C@@H]1NCCC[C@@H]1NC(=O)c1ccon1	160535918	CEEITNOTOWDMFU-YUMQZZPRSA-N	209.249	0.545	70	20	BCID	
CCc1ncnc(NCC(=O)NC2CC2)c1F	217961531	GJSXNYXZPNZVIV-UHFFFAOYSA-N	238.266	0.869	70	20	BCID	
COCCC(=O)N1CCc2ncncc2C1	218058951	AKBRNFIOVPQUEQ-UHFFFAOYSA-N	221.260	0.398	70	20	BCID	
COC[C@H](O)CNC(=O)CCOCC(C)C	159474093	BPEJVEPGLXQKJK-SNVBAGLBSA-N	233.308	0.173	70	20	BCID	
CC[C@@H](CSC)NC[C@@H](O)COC	217330588	UCMJCQSHKGTEDY-DTWKUNHWSA-N	207.339	0.725	70	20	BCID	
CC[C@H](CSC)NC(=O)CNCCOC	217333134	IGBJUKINPGJYNY-SECBINFHSA-N	234.365	0.480	70	20	BCID	
O=C(NCC(=O)N1CCCCC1)c1cn[nH]c1	159400491	WMQGYMZEDUAJGK-UHFFFAOYSA-N	236.275	0.152	70	20	BCID	
C[C@H]1C(=O)NCCN1Cc1cnc2ccccn12	159624497	VIGOIIJYXAGKQC-JTQLQIEISA-N	244.298	0.655	70	20	BCID	
C[C@H](CO)CNC(=O)CCCn1ccnc1	160443577	STQXXNWUGPJPLV-JTQLQIEISA-N	225.292	0.408	70	20	BCID	
CCn1ccnc1CN(CC(N)=O)CC(C)C	160759844	IFHFBCDDCNTXDI-UHFFFAOYSA-N	238.335	0.846	70	20	BCID	
CC(C)[C@H](O)CCNC(=O)[C@H]1CCCCN1	160896950	ZWVDRTAMSREIJQ-GHMZBOCLSA-N	228.336	0.652	70	20	BCID	
C[C@@H](C(N)=O)N1CC[C@@H](N2CCCC2)C1	217370216	ZOJRUCLUPCZLBD-VHSXEESVSA-N	211.309	0.030	70	20	BCID	
CC[C@@H](C)N(C)CCNC(=O)c1cn[nH]c1	217403948	RDRXSUIVVQZDGI-SECBINFHSA-N	224.308	0.870	70	20	BCID	
COC(=O)c1cc(=O)n(C)cc1Br	217571701	UBIPNOJMXGEOEN-UHFFFAOYSA-N	246.060	0.934	70	20	BCID	
CCc1ncnc(NCc2nnc[nH]2)c1F	217988285	HMHMDRTUFBUIFV-UHFFFAOYSA-N	222.227	0.908	70	20	BCID	
Cc1nc(C)c(C(=O)NC(C)(C)CO)o1	159504607	SGVKORVIFKYGAQ-UHFFFAOYSA-N	212.249	0.792	70	20	BCID	
Cc1ncoc1C(=O)N1CC[C@@H](CO)C1	159512725	IIZAMHPWWHIIDY-MRVPVSSYSA-N	210.233	0.437	70	20	BCID	
Cc1nn(C)cc1CN1CCC[C@H]1C(N)=O	160310936	YJPWFMSSOIZIKF-JTQLQIEISA-N	222.292	0.178	70	20	BCID	
CO[C@H](C)C(=O)N1CCCC[C@@H]1CCO	160527604	DPRKMYRTOPPVMA-NXEZZACHSA-N	215.293	0.785	70	20	BCID	
Cc1nc(Cn2ncn(C)c2=O)sc1C	160743821	ZVOAVIKIEZJXPL-UHFFFAOYSA-N	224.289	0.703	70	20	BCID	
O=C(CCn1cccn1)NOCc1cccnc1	160764224	IDEKPSYOELWLAW-UHFFFAOYSA-N	246.270	0.916	70	20	BCID	
CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H](N)C1)N(C)C	161210112	DXLBAGXHOGIBNY-QJPTWQEYSA-N	241.379	0.959	70	20	BCID	
CC(=O)N(C)c1cccc(NC(=O)CCN)c1	161387175	ZTLKNPPTYFLICA-UHFFFAOYSA-N	235.287	0.957	70	20	BCID	
CSCCN(C)C(=O)[C@@H]1CNC[C@H]1C	159595673	PTOCZCVDLUWAHI-RKDXNWHRSA-N	216.350	0.663	70	20	BCID	
CC[C@](C)(O)CNS(=O)(=O)[C@@H](C)COC	160307994	GEEWPLJFSPTTHD-IUCAKERBSA-N	239.337	0.102	70	20	BCID	
CCOCCCN1CCNC(=O)C1(C)C	160494925	DZLWAHSWTXQHSD-UHFFFAOYSA-N	214.309	0.623	70	20	BCID	
CCCC[C@H](CN)NS(=O)(=O)NCCC	160930910	BFIITCDJECURMC-SECBINFHSA-N	237.369	0.338	70	20	BCID	
CNC(=O)c1ccccc1OS(=O)(=O)F	1887578308	UKSOYJUHITUOOX-UHFFFAOYSA-N	233.220	0.639	70	20	BCID	
CN(CCOCCO)C[C@@H]1CCC[C@@H]1O	159475869	YACWBFXTFSBJKJ-QWRGUYRKSA-N	217.309	0.088	70	20	BCID	
C[C@H](O)C[C@H](C)CNC(=O)[C@@H](N)C(C)(C)C	160570499	PYEJAIWKARGOHI-LPEHRKFASA-N	230.352	0.883	70	20	BCID	
CC(C)[C@H](CO)N[C@H]1CCCNCC1	160691802	VPJNALYIBGUIBK-QWRGUYRKSA-N	200.326	0.735	70	20	BCID	
COC(=O)NCCC(=O)N[C@H](CO)CC(C)C	161085375	DYPQTOCXXWEGRI-VIFPVBQESA-N	246.307	0.256	70	20	BCID	
CCCCO[C@@H](C)C(=O)NCC[C@H](O)COC	161094316	FRHVGTITRAHCEU-QWRGUYRKSA-N	247.335	0.705	70	20	BCID	
CCCCO[C@H](C)C(=O)NC[C@@H](O)COC	159470170	RPHFCDBROKUIGU-NXEZZACHSA-N	233.308	0.315	70	20	BCID	
CC(C)C[C@](C)(CN)NS(=O)(=O)C1CC1	160166429	CYLWOJOPQYCAAK-SNVBAGLBSA-N	234.365	0.832	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)[C@@]2(C)CCCO2)C1	159454587	BGHNHXTVSCHKSR-CMPLNLGQSA-N	240.303	0.293	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)[C@]2(C)CCCO2)C1	159454457	BGHNHXTVSCHKSR-PWSUYJOCSA-N	240.303	0.293	70	20	BCID	
CCc1ncnc(N2CCn3cnnc3C2)c1F	159484902	OHXAZTRUSRXJMY-UHFFFAOYSA-N	248.265	0.790	70	20	BCID	
COC[C@H](C)N(C)C(=O)N[C@H]1CCOC1	159547475	HACPYCYHWZRTLB-IUCAKERBSA-N	216.281	0.452	70	20	BCID	
Cc1ncoc1C(=O)N1CC[C@H](CO)C1	159512592	IIZAMHPWWHIIDY-QMMMGPOBSA-N	210.233	0.437	70	20	BCID	
CN(C(=O)N[C@@H]1CCOC1)C1CCOCC1	159558029	XZYYNIYBEKPZOA-SECBINFHSA-N	228.292	0.596	70	20	BCID	
CN(C(=O)N[C@H]1CCOC1)C1CCOCC1	159558153	XZYYNIYBEKPZOA-VIFPVBQESA-N	228.292	0.596	70	20	BCID	
CCOCCO[C@H](C)C(=O)NC[C@@H](C)CCO	161073593	RYIXYADMGCMMRU-WDEREUQCSA-N	247.335	0.563	70	20	BCID	
CCOC[C@H](O)CN[C@@H](CC)CCO	217816429	BERMDOCNNYYSRG-VHSXEESVSA-N	205.298	0.134	70	20	BCID	
COC[C@@H](C)CC(=O)N[C@@H]1CCC[C@@H]1CO	218059777	CEECBTNOUKPKPX-HBNTYKKESA-N	229.320	0.936	70	20	BCID	
CC(C)OC1CCC(NS(N)(=O)=O)CC1	159386630	NEPCXGBRFBJSTG-UHFFFAOYSA-N	236.337	0.516	70	20	BCID	
CO[C@@H](C)C(=O)N1CC[C@@H](CCN)C1	159988010	GFZPJQAYVUMQRW-DTWKUNHWSA-N	200.282	0.219	70	20	BCID	
CN[C@@H]1CCN(C(=O)Cc2ccc(C)nc2)C1	160710962	HOUJOQFENPGKDF-GFCCVEGCSA-N	233.315	0.753	70	20	BCID	
CCC(=O)N1CC[C@@H](C(=O)Nc2ccn[nH]2)C1	161063652	ZFXSQMOMWNKAOY-MRVPVSSYSA-N	236.275	0.607	70	20	BCID	
C[C@H](CCN(C)C)NC(=O)N[C@@H]1CCOC1	159424352	NZLLOFUYVVACHJ-NXEZZACHSA-N	229.324	0.415	70	20	BCID	
N[C@@H]1CCN(C(=O)[C@@H]2NCCc3ccccc32)C1	160319342	BNOGDVGPIXOONF-DGCLKSJQSA-N	245.326	0.433	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)OCC	160490908	ZVRLMOLRDXZSPN-IUCAKERBSA-N	231.292	0.869	70	20	BCID	
CO[C@H](C)C(=O)N[C@@H](CN)CC(C)C	160935511	AOBUGPKVVFIMQS-RKDXNWHRSA-N	202.298	0.511	70	20	BCID	
CCOCC(=O)N1CC[C@H]([C@H](C)N)C1	159514208	MVHUFIKVNDFJAB-IUCAKERBSA-N	200.282	0.219	70	20	BCID	
CC(C)Cn1ncnc1Cn1cccnc1=O	159717002	UXZLRTCPOVRUBC-UHFFFAOYSA-N	233.275	0.539	70	20	BCID	
c1cn(CCSCCN2CCOCC2)cn1	160073882	GBZCOIMSFUBKOO-UHFFFAOYSA-N	241.360	0.949	70	20	BCID	
CN(C)C(=O)CNC(=O)c1ccncc1F	161385920	IILHGJBSAZTNCC-UHFFFAOYSA-N	225.223	0.039	70	20	BCID	
O=S(=O)(Cl)N1CCSCC1	59128443	XLBDBSFJOORSOY-UHFFFAOYSA-N	201.700	0.519	70	20	BCID	
Cc1cc(NCCn2ccnn2)nc(C)n1	159621494	WBQOMEPPVFVUGC-UHFFFAOYSA-N	218.264	0.797	70	20	BCID	
CCOC(=O)CN(C(=O)NC)C1CC1	160336421	KFQPVJWPAJYSBO-UHFFFAOYSA-N	200.238	0.353	70	20	BCID	
CCC(CC)(CN)C(=O)N1CCN[C@H](C)C1	161160657	NMQPNIIHYQFBHG-SNVBAGLBSA-N	227.352	0.572	70	20	BCID	
C[C@@H]1COCCN1CCCCS(C)(=O)=O	161412931	GKKPXURDBMGWBH-SNVBAGLBSA-N	235.349	0.532	70	20	BCID	
CCOCCC(=O)N[C@H]1CCN(C(C)=O)C1	159733825	MOYRYCJUYPUIDN-JTQLQIEISA-N	228.292	0.150	70	20	BCID	
COCCC1(C(=O)N[C@H](C)C(N)=O)CCC1	160180195	WUIVAHPSZYGTEA-MRVPVSSYSA-N	228.292	0.183	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCCOC1	160582710	CVCGWHZWWYXSOA-ZJUUUORDSA-N	243.303	0.871	70	20	BCID	
CO[C@H](C)C(=O)NCCc1cscn1	160619102	JTOFNDKOMPRKLD-SSDOTTSWSA-N	214.290	0.837	70	20	BCID	
CCCNS(=O)(=O)NCC(O)(CC)CC	160694777	VTXJMZQCLWSKLV-UHFFFAOYSA-N	238.353	0.372	70	20	BCID	
CC[C@H](N)C(=O)NC[C@@H](C)N1CCCC1	161038504	QEJXTPSDNYSXAC-ZJUUUORDSA-N	213.325	0.324	70	20	BCID	
Cc1cc(C(=O)NCC(=O)N2CCCC2)ncn1	161369593	XTWIADCITCWJDS-UHFFFAOYSA-N	248.286	0.137	70	20	BCID	
CN1CC[C@@H](NC(=O)NC2(C)CCC2)C1=O	161441256	QAIOTMYQZAIAKU-MRVPVSSYSA-N	225.292	0.459	70	20	BCID	
COC[C@H](O)CCNC(=O)C1(C)CCC1	161481241	OHHINLSNHKLXPA-SECBINFHSA-N	215.293	0.690	70	20	BCID	
NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCCO2)C1	160999191	ZNMQTBRCWOQTIG-NXEZZACHSA-N	240.303	0.279	70	20	BCID	
CCc1ccn(CCS(=O)(=O)F)n1	883954778	ZCRGEPJHHNEATM-UHFFFAOYSA-N	206.242	0.745	70	20	BCID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)C2CC2)C1	159561074	QNFNKIWPXILIMN-GZMMTYOYSA-N	224.304	0.770	70	20	BCID	
CCC(CC)(CN)C(=O)N1C[C@@H](C)N[C@H](C)C1	161160048	DWZAFBVNKLQKCM-GHMZBOCLSA-N	241.379	0.960	70	20	BCID	
COCCCNC(=O)[C@H](C)S[C@H](C)CO	160772405	FWWRKAPQJWBLFD-BDAKNGLRSA-N	235.349	0.642	70	20	BCID	
CCOCCC(=O)N[C@H](C)CC(=O)OCC	160782739	ZYYCJRZBAWLETQ-SECBINFHSA-N	231.292	0.871	70	20	BCID	
CCOCCC1(C(=O)NCC(=O)OC)CCC1	160930577	LICUMDTXYPKRAE-UHFFFAOYSA-N	243.303	0.873	70	20	BCID	
CNC(=O)C(C)(C)CNc1ccnc(C)n1	161064215	UBXAMTVHVRINPH-UHFFFAOYSA-N	222.292	0.969	70	20	BCID	
CC(C)C[C@@H](O)CNCc1ccnn1C	218250549	MYZIWHWZDKHPKN-LLVKDONJSA-N	211.309	0.917	70	20	BCID	
O=C1[C@H]2CC[C@@H](C2)C(=O)N1CCS(=O)(=O)F	883953722	IGMGPVQTFYWVJQ-BQBZGAKWSA-N	249.263	0.071	70	20	BCID	
NC1(C(=O)NCCNC2CCCCCC2)CC1	159622791	IMHLSLMGGJGJNP-UHFFFAOYSA-N	239.363	0.906	70	20	BCID	
CC(C)(N)CNC(=O)[C@H]1CC12CCOCC2	159971674	IXVVXTCRCJZHHK-SECBINFHSA-N	226.320	0.657	70	20	BCID	
CC(C)CS(=O)(=O)N1CCC[C@](C)(O)C1	160899587	IOGMFPXXWYOTPM-JTQLQIEISA-N	235.349	0.819	70	20	BCID	
CN1N=C(C(=O)NCC2(C3CC3)CC2)CCC1=O	160133363	JBMRTWHOLMTSSN-UHFFFAOYSA-N	249.314	0.901	70	20	BCID	
Cc1nnc(C(=O)N[C@H](C(N)=O)C(C)C)s1	161128677	PBHIQANMCLFTOI-LURJTMIESA-N	242.304	0.086	70	20	BCID	
CN(CC(=O)N1CC(O)C1)Cc1ccccc1	161403831	GXYCNJIBXHVQHT-UHFFFAOYSA-N	234.299	0.322	70	20	BCID	
CC(C)C[C@H](O)CNCc1cncn1C	218168370	KIQLCNVKWVWQSA-NSHDSACASA-N	211.309	0.917	70	20	BCID	
COC(C)(C)CNC(=O)CCCCO	159383189	VOHPUCIUHUGHQQ-UHFFFAOYSA-N	203.282	0.690	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)c1ccncc1	159822942	SLZMTLXIOGMBKT-UHFFFAOYSA-N	235.287	0.665	70	20	BCID	
O=C(NC1(CO)CCC1)[C@@H]1CCCOC1	161117112	OTTDRZXCTVZOBS-SECBINFHSA-N	213.277	0.444	70	20	BCID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccon2)C1	161164052	MJQPXDXWLCPSDX-HTQZYQBOSA-N	209.249	0.674	70	20	BCID	
CCCNC(=O)[C@@H](C)N1CCC[C@@H](N)C1	217527500	WPXAJPDJRGLYRD-NXEZZACHSA-N	213.325	0.324	70	20	BCID	
CCOC(=O)CCN(C)[C@@H]1CCNC1	218257106	VBFBFEPXSLNFDG-SECBINFHSA-N	200.282	0.233	70	20	BCID	
C[C@@H](CN)C(=O)NC[C@H](C)N1CCCC1	160935510	BMBQDPKRCHULJQ-UWVGGRQHSA-N	213.325	0.182	70	20	BCID	
O=C(NC[C@H]1CCCC[C@H]1O)[C@H]1CSCN1	161147781	FHBRDGSNZAGNEF-OPRDCNLKSA-N	244.360	0.316	70	20	BCID	
COCCNC(=O)NCCc1ccc(O)cc1	217307221	XJXRAAABKLXWFZ-UHFFFAOYSA-N	238.287	0.880	70	20	BCID	
Cn1nncc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	159593506	NHFSYUXDJFWDRB-UTUOFQBUSA-N	248.330	0.862	70	20	BCID	
NC(=O)[C@H]1CCCN1Cc1cccc(O)c1	160357875	LZYGRPFLTNSWSV-LLVKDONJSA-N	220.272	0.842	70	20	BCID	
CNC(=O)Cn1cnc(C(C)C)cc1=O	160731808	HBQCEOGSRQEOHE-UHFFFAOYSA-N	209.249	0.113	70	20	BCID	
COC[C@@H](O)CCNC(=O)CC1(O)CCCC1	160811880	OVWADNRYZGXAOV-JTQLQIEISA-N	245.319	0.195	70	20	BCID	
CC[C@H](C)[C@@H](N)C(=O)Nc1ccnn1C	160903921	ZVZVOULXRMBRKP-IONNQARKSA-N	210.281	0.732	70	20	BCID	
CNC[C@@H]1CCCN1C(=O)CC1(N)CCC1	161360002	FCGCSXUMNRCAMK-JTQLQIEISA-N	225.336	0.468	70	20	BCID	
C[C@H]1OCC[C@H]1C(=O)NC1(CO)CCC1	161404907	KYDVCVCIRPUVGE-RKDXNWHRSA-N	213.277	0.443	70	20	BCID	
COC(=O)[C@H](C)N1CC[C@@H](N2CCCC2)C1	217409447	VBLQBTIPUARJIW-WDEREUQCSA-N	226.320	0.718	70	20	BCID	
COCCC(=O)NC[C@@H](O)C(C)(C)C	159682102	OYDTWRFRKRJMKR-MRVPVSSYSA-N	203.282	0.546	70	20	BCID	
CC[C@@H](C)OCC(=O)N(C)C[C@H](C)C(=O)NC	160413018	GLQODIMQTSHYPW-VHSXEESVSA-N	244.335	0.642	70	20	BCID	
COC[C@H](C)NC(=S)N[C@]1(C)CCOC1	160043263	QVBPSSRZYORAHJ-WCBMZHEXSA-N	232.349	0.664	70	20	BCID	
CO[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)N)C1	160937310	FUJFKSSJJFZSAP-BBBLOLIVSA-N	214.309	0.607	70	20	BCID	
C[C@H](CO)N(C)c1cc(Cl)[nH]c(=O)n1	218281260	JAHVMNLMQSLVNQ-RXMQYKEDSA-N	217.656	0.240	70	20	BCID	
O=S(=O)(F)CCN1CCOc2ccncc21	883954417	MMDFDJYDRGTYSD-UHFFFAOYSA-N	246.263	0.580	70	20	BCID	
NC1(CNC(=O)C[C@H]2CCCN2)CCCCC1	159716489	XLBZRROBFKIKIB-LLVKDONJSA-N	239.363	0.906	70	20	BCID	
CN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCOC1	160474694	YBKCXBXJXSULHP-GHMZBOCLSA-N	241.335	0.559	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)CCCOC	160801719	MJSJWJNUGLWUPF-SECBINFHSA-N	231.292	0.871	70	20	BCID	
CCCC[C@@H](COC)NC(=O)[C@@H]1CNCCO1	159653949	MBWZQFJILJISNT-QWRGUYRKSA-N	244.335	0.296	70	20	BCID	
COC[C@H](C)NCCCCN1CCC[C@@H]1CO	160762053	XWAUDGMAQPQILP-QWHCGFSZSA-N	244.379	0.848	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)[C@@H]2CSCN2)C1	161196942	DYXBCIODODQUAN-VGMNWLOBSA-N	229.349	0.035	70	20	BCID	
CO[C@H](C)C(=O)NCC1(C)CCNCC1	159983813	LIGHTHSOZHRABF-SECBINFHSA-N	214.309	0.527	70	20	BCID	
CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)N)c1	161387319	FSWNBUQTXINBGH-MRVPVSSYSA-N	235.287	0.955	70	20	BCID	
Cn1ncc([N+](=O)[O-])c1S(=O)(=O)Cl	100489998	BHIHNOCGRDYMFQ-UHFFFAOYSA-N	225.613	0.256	70	20	BCID	in-vitro
CO[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCOC1	159428830	UXJXHOJAACBQTM-OPRDCNLKSA-N	228.292	0.642	70	20	BCID	
COC(=O)[C@H](C)N[C@H]1C[C@H](O)C1(C)C	159550683	DQFGRMMGCXTMAV-FXQIFTODSA-N	201.266	0.297	70	20	BCID	
COC[C@H](C)NC(=S)N[C@@H]1CCOC1	159580875	NMDFISVJIUTXGJ-JGVFFNPUSA-N	218.322	0.274	70	20	BCID	
CN1CCC(NC(=O)[C@H]2CCCCO2)CC1	161076234	UQERVIABFXLJRN-LLVKDONJSA-N	226.320	0.766	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)c2cnns2)C1	161286438	ZSTXXYCRBPODDJ-RQJHMYQMSA-N	226.305	0.538	70	20	BCID	
C[C@H](CCO)CNC(=O)/C=C\c1cnn(C)c1	218016803	LKBHUFQIVPLCEI-UMBAGQNISA-N	237.303	0.568	70	20	BCID	
Nc1ncc(C(=O)N2CCC(O)CC2)s1	218389282	JUBNNTGRZURQPP-UHFFFAOYSA-N	227.289	0.322	70	20	BCID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1336406296	LDFGEPZXOYOJSJ-UHFFFAOYSA-N	246.263	0.907	70	20	BCID	
CCCCN(CCOC)C(=O)[C@H]1CSCN1	159550764	PTGWLFTYPYBEFD-SNVBAGLBSA-N	246.376	0.924	70	20	BCID	
CCCNS(=O)(=O)NCCCNC(C)C	160825092	AGMRYMLQZQMZEU-UHFFFAOYSA-N	237.369	0.209	70	20	BCID	
O=S(=O)(Cl)N1CCN2CCC[C@H]2C1	161762701	RAQWXKLZGPKTKL-ZETCQYMHSA-N	224.713	0.250	70	20	BCID	
C[C@H](O)[C@@H](C)NC[C@@H](C)N(C)C1CC1	218584237	REBPDKADEWDTRZ-BBBLOLIVSA-N	200.326	0.828	70	20	BCID	
C[C@@H]1CN(C(=O)c2nnc[nH]2)CC[C@H]1C	161019738	QIXOMUKVJWFXRE-HTQZYQBOSA-N	208.265	0.923	70	20	BCID	
COCCC(=O)N1CC[C@@H]([C@H](C)N)C1	159515045	PLODCYOOKWGOMW-DTWKUNHWSA-N	200.282	0.219	70	20	BCID	
CCC(CC)(CNCC(N)=O)C(=O)OC	159663341	ACQFVVXCFDCJBT-UHFFFAOYSA-N	216.281	0.041	70	20	BCID	
COC[C@H](C)N[C@@H](CCO)CSC	160413722	RSLWZFNYDDZSPZ-IUCAKERBSA-N	207.339	0.725	70	20	BCID	
CCN1CC[C@@H](NCC(=O)NC(C)C)[C@H](C)C1	160930383	KYRHHKKILKPISR-VXGBXAGGSA-N	241.379	0.831	70	20	BCID	
CC[C@H](N)C(=O)NC[C@H](O)c1ccsc1	161502364	HUPYCTZZNJODDT-IUCAKERBSA-N	228.317	0.635	70	20	BCID	
Cc1nc(C)c(C(=O)NCCCCN)o1	159402563	MYDJHXUXJGWEEC-UHFFFAOYSA-N	211.265	0.760	70	20	BCID	
CN(C)C(=O)[C@@H]1CCCN1CCn1ccnc1	159732672	BPZXXJURBMUGKJ-NSHDSACASA-N	236.319	0.436	70	20	BCID	
CCCN(CC)C(=O)[C@H](N)C(=O)OCC	160050732	LBOWGXCGSDLYCJ-QMMMGPOBSA-N	216.281	0.135	70	20	BCID	
CC[C@@H](SC)C(=O)NCC[C@@H](O)COC	160822573	CBVDKZVHBOLOJA-RKDXNWHRSA-N	235.349	0.642	70	20	BCID	
C[C@H]1CN(C(=O)N[C@@H]2CCOC2)C[C@@H](C)O1	159444714	VCUPYDHKOCCKNY-KXUCPTDWSA-N	228.292	0.594	70	20	BCID	
CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCOC1	159448501	VNPOMKDWAOLHDQ-QWRGUYRKSA-N	242.319	0.986	70	20	BCID	
Cc1nnc(CN(C)C[C@@H]2CCC[C@@H]2O)o1	159464910	ZDHIDSDYKKZRNC-UWVGGRQHSA-N	225.292	0.971	70	20	BCID	
Cc1onc(-c2ccccn2)c1C(=O)NCCO	159476041	VQEGCTZWZANLFY-UHFFFAOYSA-N	247.254	0.767	70	20	BCID	
C[C@@]1(NC(=O)N[C@@H]2CCOC2)CCOC1	160220273	WJVYKNOOTMJSIS-PSASIEDQSA-N	214.265	0.254	70	20	BCID	
COC(=O)C[C@H](C)C(=O)N[C@H](CO)CC(C)C	161194087	WUTHSCFCLLRZOP-UWVGGRQHSA-N	245.319	0.709	70	20	BCID	
CO[C@@H](C)C(=O)NC[C@]1(C)CCCNC1	159972667	VTGBIAZSLQPOMX-GXSJLCMTSA-N	214.309	0.527	70	20	BCID	
C[C@@H](CNC(=O)[C@H](C)CN)N1CCCC1	160935623	BMBQDPKRCHULJQ-ZJUUUORDSA-N	213.325	0.182	70	20	BCID	
COC(=O)CCNC(=O)c1cc(C)ncn1	161441581	CDPRYQJUJWMHJP-UHFFFAOYSA-N	223.232	0.078	70	20	BCID	
O=C(NC1CC1)c1cc(S(=O)(=O)F)c[nH]1	1123568036	PBYUNHSGFRUZIX-UHFFFAOYSA-N	232.236	0.565	70	20	BCID	
COC[C@H](C)NCCCN1CCCC1=O	159580115	XYNKADOPOAMPCF-JTQLQIEISA-N	214.309	0.623	70	20	BCID	
CCCCOCCNC(=O)[C@@H](C)OC	160564928	UKYJMBYFDMFEBM-SECBINFHSA-N	203.282	0.954	70	20	BCID	
C[C@H](CC(N)=O)N[C@H](C)c1cnccn1	160680358	CGASADDYIGYYIC-HTQZYQBOSA-N	208.265	0.391	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)CCOC	160847895	UPTMPTCGIAAIRS-QMMMGPOBSA-N	217.265	0.481	70	20	BCID	
Cn1nccc1C(=O)N[C@H]1CCC[C@@H](N)C1	161501763	QNANSLMYNOAMSL-BDAKNGLRSA-N	222.292	0.420	70	20	BCID	
CCC(C)(C)NC(=O)c1ccc(=O)[nH]n1	217804517	WRBYCYVKRUAFIN-UHFFFAOYSA-N	209.249	0.688	70	20	BCID	
COC[C@H](NC(=O)NC[C@@H](C)CO)C1CC1	159506121	NPJDBKZSTPOOFL-SCZZXKLOSA-N	230.308	0.339	70	20	BCID	
C[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2)C1=O	159553160	WJKWNVWLWYXCNM-ONGXEEELSA-N	247.298	0.255	70	20	BCID	
CC(=O)c1cnc(NC(=O)[C@H]2CCNC2)s1	159510041	BPPIKWJGQCIKFH-ZETCQYMHSA-N	239.300	0.894	70	20	BCID	
CC[C@H](N)C(=O)N[C@@H](CCO)C(C)C	159600026	BGZSUJIFDZUBGZ-IUCAKERBSA-N	202.298	0.247	70	20	BCID	
Cc1cnn(CCNC(=O)N[C@@H](C)CCO)c1	160290941	TVFIAHRMGCHVPO-JTQLQIEISA-N	240.307	0.262	70	20	BCID	
CO[C@H](C)C(=O)N1CCCC[C@H]1CCO	160527849	DPRKMYRTOPPVMA-ZJUUUORDSA-N	215.293	0.785	70	20	BCID	
C[C@H]1NCCC[C@@H]1NC(=O)c1csnn1	160540092	POKZLJZDDHLTOD-RQJHMYQMSA-N	226.305	0.408	70	20	BCID	
CC(C)C[C@H](CO)NC(=O)COCC1CC1	160825226	ZBSOCVGVFAUWSP-LLVKDONJSA-N	229.320	0.936	70	20	BCID	
CC(=O)N1CC[C@H](NC(=O)c2ccc(O)nc2)C1	159572225	YCNOPZVQJCCUBS-JTQLQIEISA-N	249.270	0.138	70	20	BCID	
C[C@@H](NC(=O)[C@H]1CCNC1)[C@@H]1CCCO1	218253610	ZQYSGDDMOQARKB-UTLUCORTSA-N	212.293	0.280	70	20	BCID	
C[C@H](C(=O)N(C)C)N1CC[C@H](CCN)C1	160065785	GSXOCLCQCYJLDV-ZJUUUORDSA-N	213.325	0.134	70	20	BCID	
CCNc1nc(C(=O)N[C@H](C)C(N)=O)cs1	160103497	ZBHNHMDGZFJFOE-RXMQYKEDSA-N	242.304	0.179	70	20	BCID	
COCC(=O)NC[C@H]1CCCN1CC(C)C	160488196	NFLTYVIDLUUNBJ-LLVKDONJSA-N	228.336	0.869	70	20	BCID	
CCn1cc(CS(=O)(=O)Cl)nn1	215499634	BEUPTOWXTOIPJG-UHFFFAOYSA-N	209.658	0.367	70	20	BCID	
COC(=O)[C@H](C)N1CCC[C@@H](CO)C1	217737718	UEXWQKWGYKQNAZ-DTWKUNHWSA-N	201.266	0.252	70	20	BCID	
CC(C)N1CC[C@H](CNC[C@H](C)O)C1	218759127	RGBBWUHCQSOYJY-WDEREUQCSA-N	200.326	0.687	70	20	BCID	
CCCN(C(=O)[C@@H](C)OC)[C@H]1CCNC1	160930586	IMTNBLYDXGFJQZ-ZJUUUORDSA-N	214.309	0.622	70	20	BCID	
CC(C)(C)c1n[nH]c(S(=O)(=O)F)n1	79788360	KHABBUSLDYNYEP-UHFFFAOYSA-N	207.230	0.760	70	20	BCID	
O=S(=O)(Cl)CCOC[C@H]1CCCO1	112155234	OOJKCHZCZAFLIG-SSDOTTSWSA-N	228.697	0.751	70	20	BCID	
CCN1CCO[C@@H](CS(=O)(=O)Cl)C1	157449561	OEHDLIJCPQYHTC-SSDOTTSWSA-N	227.713	0.276	70	20	BCID	
COC(=O)CCN1CCC[C@@H]1C[C@H](C)O	159386097	ZVZJUUWCVXCTMY-VHSXEESVSA-N	215.293	0.785	70	20	BCID	
CCCNC(=O)[C@@H](C)N1CCN[C@@H](C)C1	159579919	NYXSAYZLDKLWTR-VHSXEESVSA-N	213.325	0.195	70	20	BCID	
CN(C)C(=O)CCN1CC[C@H](CCN)C1	160057231	DFBQXMHXUIWZJE-JTQLQIEISA-N	213.325	0.135	70	20	BCID	
C[C@H]1COC[C@@H](C)N1C(=O)C[C@@H]1CNCCO1	160520797	RMLZSCQDMJJTOM-OUAUKWLOSA-N	242.319	0.001	70	20	BCID	
NC1(C(=O)NCC[C@@H](O)c2ccccc2)CC1	160846887	KGWNNYPJVMILEN-LLVKDONJSA-N	234.299	0.718	70	20	BCID	
O=C1CNC(=O)N1CCc1ccncc1	218767817	ZYNDVQKTWMNAHJ-UHFFFAOYSA-N	205.217	0.176	70	20	BCID	
O=S(=O)(NCc1ccccc1CO)C1CC1	159740575	BFJUPSGHQXETNC-UHFFFAOYSA-N	241.312	0.761	70	20	BCID	
CC[C@H](CCO)NC(=O)c1cc(C)no1	160119704	KTXIGASRMVDICT-MRVPVSSYSA-N	212.249	0.874	70	20	BCID	
CCOC(=O)CCC(=O)N[C@]1(C)CCOC1	160213187	URKLJMHMRIOCDN-LLVKDONJSA-N	229.276	0.625	70	20	BCID	
C[C@]1(NC(=O)N[C@@H]2CCOC2)CCOC1	160220178	WJVYKNOOTMJSIS-SCZZXKLOSA-N	214.265	0.254	70	20	BCID	
CC(C)[C@H](O)CCNC(=O)[C@H]1CCCNC1	160898686	OBQIALYKXLEFNK-WDEREUQCSA-N	228.336	0.509	70	20	BCID	
Cn1cnc2cc(C(=O)N[C@@H]3CCOC3)cnc21	160966167	UTUWVWDQEZNXPR-SECBINFHSA-N	246.270	0.487	70	20	BCID	
CCCNC(=O)[C@@H](C)NC(=O)C(F)F	218439885	STNSBEQXAIHTBY-RXMQYKEDSA-N	208.208	0.282	70	20	BCID	
CCc1ccc(CN2CCNC(=O)C2)o1	160495947	HWDANSDUGATOIN-UHFFFAOYSA-N	208.261	0.774	70	20	BCID	
CC(C)(CCO)NC(=O)c1cnns1	160772970	AHALYUBYYXUIGI-UHFFFAOYSA-N	215.278	0.429	70	20	BCID	
C[C@@](CO)(NCCCO)c1ccccc1	161222245	LWSSZDRQPXKLEM-LBPRGKRZSA-N	209.289	0.866	70	20	BCID	
CC(C)N(C)S(=O)(=O)N1CCC[C@@H](O)C1	218680659	CHLCYVGLKHXLBP-SECBINFHSA-N	236.337	0.028	70	20	BCID	
CCN(CCOC)C(=O)N[C@H]1CCOC1	159548890	NNYGTOVKRJHNNV-VIFPVBQESA-N	216.281	0.453	70	20	BCID	
CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1CCCNC1	159818783	VGPSCSOKZGSSEQ-HBNTYKKESA-N	228.336	0.509	70	20	BCID	
COCC(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160182850	BSONHEKBYGQYSM-UHFFFAOYSA-N	236.231	0.958	70	20	BCID	
Cc1nccc(C(=O)N[C@H]2CCC[C@H](N)C2)n1	161085241	QPLZWCQUMLWXKP-UWVGGRQHSA-N	234.303	0.785	70	20	BCID	
CC(C)n1cc(CS(=O)(=O)Cl)nn1	216289396	GFLQVZDBNVMIGY-UHFFFAOYSA-N	223.685	0.928	70	20	BCID	
CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159614761	UHHJFXIMRNAINF-OUAUKWLOSA-N	225.336	0.323	70	20	BCID	
CCOCCCN1CC[C@@H](NCCO)[C@H](C)C1	159689627	RMLLKKOUADGKON-CHWSQXEVSA-N	244.379	0.705	70	20	BCID	
O=C([C@H]1CSCN1)N1C[C@@H]2CCC[C@H](C1)N2	159870051	YPEWXILLWQKYAF-KXUCPTDWSA-N	241.360	0.002	70	20	BCID	
CC1(C)CCC(C(=O)NCC(N)=O)CC1	160185228	QAJPCTVPINLQNE-UHFFFAOYSA-N	212.293	0.804	70	20	BCID	
C[C@@H](CC(N)=O)NC(=O)c1cccc(F)n1	160736993	ASBYLCJRIFYCSH-LURJTMIESA-N	225.223	0.214	70	20	BCID	
COc1ccc(CS(=O)(=O)Cl)nn1	306168017	ILYFRQGDXNJBDY-UHFFFAOYSA-N	222.653	0.554	70	20	BCID	
COCCC(=O)N1CC[C@H]([C@@H](C)N)C1	159515460	PLODCYOOKWGOMW-BDAKNGLRSA-N	200.282	0.219	70	20	BCID	
CCOCCO[C@H](C)C(=O)NC[C@@H](C)CO	160515995	SPFQCXAXJBPOOY-NXEZZACHSA-N	233.308	0.173	70	20	BCID	
CN(Cc1cccn1C)C(=O)[C@@H]1CCC(=O)NC1	160699994	WZTRQBSSUWFJBP-SNVBAGLBSA-N	249.314	0.510	70	20	BCID	
Cn1cc(C(=O)NC2CC=CC2)ccc1=O	160817834	HIRKLCDTKAUNQV-UHFFFAOYSA-N	218.256	0.834	70	20	BCID	
N[C@H]1CCC[C@@H](NC(=O)c2ccon2)C1	161163825	MJQPXDXWLCPSDX-JGVFFNPUSA-N	209.249	0.674	70	20	BCID	
C[C@H](NC(N)=O)C(=O)NCC1(C2CC2)CC1	159837274	SBVSBKSZBDGBLK-ZETCQYMHSA-N	225.292	0.350	70	20	BCID	
NC(=O)[C@H]1CCN(Cc2cnc(N)s2)C1	218310133	IXKVOYHYKUWUTB-LURJTMIESA-N	226.305	0.033	70	20	BCID	
COC(=O)Cn1cc(CCSC)nn1	159612236	ZMUPXICUDMMLMR-UHFFFAOYSA-N	215.278	0.357	70	20	BCID	
COC[C@H](C)NC(=O)[C@@H]1CCCCO1	159613162	GVDPSGIVOUJNDG-IUCAKERBSA-N	201.266	0.707	70	20	BCID	
CC(=O)[C@H]1CCCCN1S(=O)(=O)NC1CC1	160599928	HSZZFWJXGKQRDJ-SNVBAGLBSA-N	246.332	0.427	70	20	BCID	
CC[C@H](CCO)NC(=O)c1csnn1	160116761	WJLJOZBSAXQAML-ZCFIWIBFSA-N	215.278	0.429	70	20	BCID	
C[C@H](O)C[C@@H](C)CNC(=O)[C@H]1CCCCN1	160567545	RYKUPQFKDGXQPS-OUAUKWLOSA-N	228.336	0.652	70	20	BCID	
COC[C@@H](O)CCNC(=O)C(C)(C)COC	161116161	SVFKSSVQMSAUML-VIFPVBQESA-N	233.308	0.173	70	20	BCID	
CCc1nc(CC)n(CCS(=O)(=O)F)n1	883953506	YIEULNUZFHIXMN-UHFFFAOYSA-N	235.284	0.702	70	20	BCID	
COC(=O)Cc1cccc(NC(=O)[C@@H](C)N)c1	159642809	FQZYAEGKSJKQQW-MRVPVSSYSA-N	236.271	0.688	70	20	BCID	
O=C(N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCCO1	159785180	BQRSUKGNZDXFFL-HBNTYKKESA-N	225.288	0.609	70	20	BCID	
CCCCS(=O)(=O)N1CC[C@@H](CCN)C1	160015701	IBIMDQXGGHRSRX-SNVBAGLBSA-N	234.365	0.787	70	20	BCID	
N[C@H](CNC(=O)c1cnns1)C1CC1	160128413	DROIFLWOPIJLCV-ZCFIWIBFSA-N	212.278	0.005	70	20	BCID	
CO[C@@H](C)C(=O)NOCC(F)(F)F	160886271	QDZVIRCTUGFXCI-BYPYZUCNSA-N	201.144	0.631	70	20	BCID	
CO[C@H](C)C(=O)N1CCC[C@@H]([C@H](C)N)C1	160936926	FUJFKSSJJFZSAP-IVZWLZJFSA-N	214.309	0.607	70	20	BCID	
CNC[C@H]1CCCN1C(=O)[C@H](C)OC	160942989	HMNWJLDLLUXNIU-DTWKUNHWSA-N	200.282	0.232	70	20	BCID	
CCOCCC(=O)NC(C)(C)[C@H](C)O	161327271	XKEMUNYWOLEXCI-QMMMGPOBSA-N	203.282	0.689	70	20	BCID	
CCC[C@H](O)CNC(=O)CCC(C)=O	217977150	IFYHYNQMIZNKPJ-VIFPVBQESA-N	201.266	0.633	70	20	BCID	
CCN(C)C(=O)N1CCN(c2ncccn2)CC1	160309384	OXECUQFTHBTCQG-UHFFFAOYSA-N	249.318	0.670	70	20	BCID	
C[C@@H](CO)CNC(=O)CCOC[C@H]1CCCO1	160404699	FRWXHKAFOGNUSW-GHMZBOCLSA-N	245.319	0.317	70	20	BCID	
Cc1nccc(C(=O)N[C@H]2CCC[C@@H](N)C2)n1	161085468	QPLZWCQUMLWXKP-ZJUUUORDSA-N	234.303	0.785	70	20	BCID	
CCS(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12	217892204	JAMZNOLCJLFGNK-ZJUUUORDSA-N	232.349	0.553	70	20	BCID	
CSCCN(C)C(=O)[C@@]1(C)CCCN1	159598469	GGOCJNLFLBEBOI-SNVBAGLBSA-N	216.350	0.950	70	20	BCID	
C[C@H](CC(=O)NCCCC(N)=O)c1ccncc1	160042445	CCLOIJVVNBLKST-SNVBAGLBSA-N	249.314	0.957	70	20	BCID	
CNC(=O)CCNC(=O)c1ccncc1F	161428644	LFNODYVPXOTONI-UHFFFAOYSA-N	225.223	0.087	70	20	BCID	
Cn1ncc(C(=O)O)c1S(=O)(=O)Cl	212130037	SMRVHLJJTARTEI-UHFFFAOYSA-N	224.625	0.046	70	20	BCID	
CCc1ncnc(N(C)[C@@H](C)CO)c1F	218081401	PZMNEBCUTPNLDS-ZETCQYMHSA-N	213.256	0.995	70	20	BCID	
CC[C@H](CCO)NC(=O)COC(C)C	160114766	AZEIEUQQIFANIP-SECBINFHSA-N	203.282	0.689	70	20	BCID	
CCC(N)(CC)CNC(=O)[C@H](C)COC	160461710	VYTUYFYHIMJQTC-SECBINFHSA-N	216.325	0.903	70	20	BCID	
C[C@H](C(N)=O)N1CC[C@@H](N2CCCC2)C1	217370307	ZOJRUCLUPCZLBD-NXEZZACHSA-N	211.309	0.030	70	20	BCID	
CC[C@@H](N)C(=O)NC[C@H](C)N1CCCC1	161038873	QEJXTPSDNYSXAC-VHSXEESVSA-N	213.325	0.324	70	20	BCID	
COCCOCCN1CC[C@@H](N)[C@@H](C)C1	217183455	AIJDHQCDPHCIMZ-WDEREUQCSA-N	216.325	0.319	70	20	BCID	
CCCS(=O)(=O)NCC1=CCNCC1	160518455	DOFZYLCFNIBCIG-UHFFFAOYSA-N	218.322	0.236	70	20	BCID	
CNC(=O)C1(C(=O)N[C@@H](CO)CC(C)C)CC1	160646433	JIPXOKTWDWQSGA-SECBINFHSA-N	242.319	0.036	70	20	BCID	
COCCCN(CCOC)Cc1nncn1C	160825938	LSRADQUNPARYTJ-UHFFFAOYSA-N	242.323	0.300	70	20	BCID	
NC(=O)CNC(=O)c1ccc(C(F)(F)F)cn1	161100630	XGEHDIRPTMSMRL-UHFFFAOYSA-N	247.176	0.316	70	20	BCID	
CC[C@@H](O)CCNCc1ncnn1CC	218774604	YHKHGHHFABXBNF-SECBINFHSA-N	212.297	0.549	70	20	BCID	
CCOC(=O)[C@H]1CCCN1CC(OC)OC	160307463	FXZRHMMLLRZJNN-SECBINFHSA-N	231.292	0.633	70	20	BCID	
CCCC1(CNC(=O)CSCC(N)=O)CC1	160816966	CJNBVYKTJQFMER-UHFFFAOYSA-N	244.360	0.901	70	20	BCID	
N[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCCN2)C1	160963758	ODTYGLIAGVGRCG-OUAUKWLOSA-N	225.336	0.515	70	20	BCID	
COC(=O)CCN1CC[C@H]([C@@H](C)O)C1	161210811	JHTXTLRFIMOFHP-BDAKNGLRSA-N	201.266	0.252	70	20	BCID	
CC[C@H](CCO)NCc1cc(C)nn1C	217841147	UBLRLECGDRLAMQ-SNVBAGLBSA-N	211.309	0.979	70	20	BCID	
CCCNC(=O)C(=O)Nc1ccc(C)nc1	159751546	ITARBZPFEHPBGW-UHFFFAOYSA-N	221.260	0.855	70	20	BCID	
CC(C)CN(CC(N)=O)C(=O)[C@@H]1C[C@@H]1C	159819678	RXIIDAVUYLCQSB-DTWKUNHWSA-N	212.293	0.612	70	20	BCID	
Cc1ccccc1[C@H](O)CNC(=O)CCCN	159844969	FSGZVNPLJQVDQM-GFCCVEGCSA-N	236.315	0.884	70	20	BCID	
CCCS(=O)(=O)NC[C@]1(C)CCCNC1	159995255	FUWVUGIBZNHYCG-SNVBAGLBSA-N	234.365	0.706	70	20	BCID	
CCN(CCCO)C(=O)C1CCOCC1	160307268	IOMSLWPLXZWKCU-UHFFFAOYSA-N	215.293	0.644	70	20	BCID	
CC[C@@](C)(O)CN1CCC[C@H](CNC(C)=O)C1	160716204	CMYJZQPWKDHHNT-CHWSQXEVSA-N	242.363	0.996	70	20	BCID	
CO[C@H](C)C(=O)N[C@](C)(CN)CC(C)C	160938492	AIECMXJHUUTJHD-KOLCDFICSA-N	216.325	0.901	70	20	BCID	
CCOCC(=O)NC[C@@H](O)COCC(C)C	159385942	CZGUANGTUUXHMC-SNVBAGLBSA-N	233.308	0.173	70	20	BCID	
CC[C@H](COC)N[C@@H]1CCc2nc(C)nn2C1	160542293	ABFBLLHIHDPSAC-GHMZBOCLSA-N	238.335	0.916	70	20	BCID	
CCOC(=O)C[C@H](C)NC(=O)CCCOC	160801844	MJSJWJNUGLWUPF-VIFPVBQESA-N	231.292	0.871	70	20	BCID	
CO[C@@H](C)C(=O)NC1(CN)CCCC1	160933353	CPBDLWFZZUJZFC-QMMMGPOBSA-N	200.282	0.409	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@@H](C)CSC	160965967	JRTNJRHIRWBSKB-IUCAKERBSA-N	235.349	0.499	70	20	BCID	
COC(=O)NCCC(=O)N[C@@H](CO)CC(C)C	161085547	DYPQTOCXXWEGRI-SECBINFHSA-N	246.307	0.256	70	20	BCID	
CS(=O)(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)Cl	114437581	BLDBZFIZRZJKLL-RITPCOANSA-N	246.737	0.521	70	20	BCID	
CNC[C@H]1CCCN1C(=O)c1cncnc1C	161263601	IFOACKNWTGYMQH-SNVBAGLBSA-N	234.303	0.609	70	20	BCID	
Cc1ocnc1C(=O)N[C@@H]1CCC[C@H](N)C1	161067346	XVQLCQQGKNOHBG-DTWKUNHWSA-N	223.276	0.983	70	20	BCID	
C[C@@H](CC(=O)NCCO)c1ccncc1	159439274	IZTFLKPMSMCRES-VIFPVBQESA-N	208.261	0.684	70	20	BCID	
Cn1nccc1/C=C/C(=O)NCC(C)(C)N	160088599	YMQWAJRLABIBKD-SNAWJCMRSA-N	222.292	0.287	70	20	BCID	
COCc1nccn1CCS(=O)(=O)F	883954435	NFUHASLYKHUDMM-UHFFFAOYSA-N	222.241	0.329	70	20	BCID	
CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1	159470626	BVFZSOLKGCATND-GHMZBOCLSA-N	241.335	0.511	70	20	BCID	
CC(C)C[C@@H]1COCCN1C(=O)[C@H](C)N	159629414	PTFOPGHVJZZTNE-VHSXEESVSA-N	214.309	0.607	70	20	BCID	
C[C@@H]1CN(C(=O)[C@]2(C)CCCNC2)C[C@@H](C)N1	161277095	DAEGJXZGXVQMGT-NQBHXWOUSA-N	239.363	0.585	70	20	BCID	
COCCN(CCO)c1nc(C)ns1	161423329	MSAMJODOMSWIAC-UHFFFAOYSA-N	217.294	0.292	70	20	BCID	
O=C(/C=C\c1ccco1)N1C[C@@H]2CNC[C@@H]2C1	218321144	QGWDRIKQGMHTMY-XCPMARJRSA-N	232.283	0.971	70	20	BCID	
CC[C@H](N)C(=O)NCC(C)(C)C(=O)OC	160809979	WQCMMABWJXUGKU-ZETCQYMHSA-N	216.281	0.039	70	20	BCID	
CCO[C@H]1C[C@@H](NC(=O)CNC)C12CCC2	160992582	QIAMTADRUDLLPN-ZJUUUORDSA-N	226.320	0.670	70	20	BCID	
COC(=O)CN1CCN(Cc2ccncc2)CC1	161139973	LVCDVMLKOYBKLJ-UHFFFAOYSA-N	249.314	0.372	70	20	BCID	
Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C)co1	161414737	ARQIUIGPAIOBPJ-GMSGAONNSA-N	208.261	0.926	70	20	BCID	
O=S(=O)(F)c1cnc2ncccn12	1934036748	WPHFCNFHKHTWSU-UHFFFAOYSA-N	201.182	0.388	70	20	BCID	
CCC(CC)(CN)C(=O)N1CCC[C@H](N)C1	161157230	OWXWIJFCBUOCLY-JTQLQIEISA-N	227.352	0.701	70	20	BCID	
NC[C@H]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@H]3C2)O1	159818026	GIFYJRXLOFKXSW-KXNHARMFSA-N	238.331	0.751	70	20	BCID	
CCCC[C@@H](C(=O)OC)N(C)CC(=O)NC	161011847	BUMCEJIOBUGPDX-VIFPVBQESA-N	230.308	0.396	70	20	BCID	
C[C@H]1COCCN(S(=O)(=O)Cl)C1	307217723	MXXAZLBEDGYQNY-ZCFIWIBFSA-N	213.686	0.438	70	20	BCID	
Cc1ncc(=O)n(CCS(=O)(=O)F)c1C	883954093	YSENDEMNBJHHQU-UHFFFAOYSA-N	234.252	0.159	70	20	BCID	
CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H]1CCOC1	159476668	YLLXSKAPWVGAMI-GMTAPVOTSA-N	242.319	0.984	70	20	BCID	
CC(=O)NCCNCc1ncccc1C	159630295	RDBDUOQBGOWKKC-UHFFFAOYSA-N	207.277	0.616	70	20	BCID	
CN(CC(=O)N1CCCC1)C(=O)N1CCCC1	160401313	UYNFVYZVYAJXBN-UHFFFAOYSA-N	239.319	0.756	70	20	BCID	
CCCCOCC(=O)N(C)[C@H](C)CO	160434557	YEEAANANWIXQRQ-SECBINFHSA-N	203.282	0.642	70	20	BCID	
C[C@]1(NC(=O)c2cncc(O)c2)CCOC1	160754230	PHGJPTYGGJZCQJ-NSHDSACASA-N	222.244	0.696	70	20	BCID	
Cn1nccc1C(=O)NC1(CO)CCC1	161100448	MQVXDGLFEKOOHU-UHFFFAOYSA-N	209.249	0.065	70	20	BCID	
CNc1ncccc1C(=O)N[C@@H](C)CC(N)=O	159382696	IGYBBOJJNDOYFU-ZETCQYMHSA-N	236.275	0.117	70	20	BCID	
CCOC(=O)[C@H](C)N1CCN[C@@H](C)C1	159582942	VUKXCRFVTCRFJE-IUCAKERBSA-N	200.282	0.232	70	20	BCID	
CCOC(=O)CN1CC[C@@H]([C@@H](C)N)C1	160613090	BKHMNGAAFPBPON-RKDXNWHRSA-N	200.282	0.219	70	20	BCID	
CC[C@](C)(O)CN[C@H]1C[C@H](O)C1(C)C	159562602	TXBVFZJBNPLHIS-QXEWZRGKSA-N	201.310	0.896	70	20	BCID	
C[C@H](CO)SCC(=O)N1CCCC1	160768318	AJBHJOXQGMKAGG-MRVPVSSYSA-N	203.307	0.723	70	20	BCID	
COCCNC(=O)N[C@H](C)[C@H](CO)SC	160776244	DPQBJSDDWNFSDJ-SFYZADRCSA-N	236.337	0.044	70	20	BCID	
O=C(CN1CCCC1=O)NC1CC=CC1	160795157	GKQDTCLOMKJRJZ-UHFFFAOYSA-N	208.261	0.444	70	20	BCID	
CO[C@@H](C)C(=O)NC[C@]1(C)CCCO1	160823632	ALBKQCOEXXARCI-WPRPVWTQSA-N	201.266	0.707	70	20	BCID	
CC[C@H](C)N(C)CCNC(=O)c1cn[nH]c1	217404022	RDRXSUIVVQZDGI-VIFPVBQESA-N	224.308	0.870	70	20	BCID	
CCC[C@@H](O)CNC(=O)CCCCO	218545979	FJIIMKYUZTZWSX-SECBINFHSA-N	203.282	0.426	70	20	BCID	
CN1CC[C@@H](CS(=O)(=O)Cl)C1=O	307125131	SVKAMAHADUXRTK-YFKPBYRVSA-N	211.670	0.033	70	20	BCID	
CCC(CC)[C@H](O)CNC(=O)[C@H](C)N	159758698	XXCMAIQIBKHFJW-IONNQARKSA-N	202.298	0.247	70	20	BCID	
COc1cccnc1NCC(=O)NC1CC1	160210303	PIPFXFDGDPNVJH-UHFFFAOYSA-N	221.260	0.781	70	20	BCID	
CCC[C@H](N)C(=O)NCC[C@@H](O)C(C)C	160898228	BKCZWLNGWILIAE-VHSXEESVSA-N	216.325	0.637	70	20	BCID	
COC(C)(C)C[C@H](C)NC(=O)C1(N)CC1	160964579	CUFCBKXYVPXDEH-QMMMGPOBSA-N	214.309	0.798	70	20	BCID	
CCOCC(=O)N1CC[C@H]([C@@H](C)N)C1	159513900	MVHUFIKVNDFJAB-BDAKNGLRSA-N	200.282	0.219	70	20	BCID	
CCOC(=O)c1ccc(CNC(=O)CCN)o1	159574576	FPTXBBMFWBKSIC-UHFFFAOYSA-N	240.259	0.421	70	20	BCID	
CCCC[C@H](COC)NC(=O)[C@@H]1CNCCO1	159654084	MBWZQFJILJISNT-MNOVXSKESA-N	244.335	0.296	70	20	BCID	
Cc1ccc(CN2CCn3cnnc3C2)nc1	159970031	HFZGIYNEEGFZCR-UHFFFAOYSA-N	229.287	0.997	70	20	BCID	
COc1cccnc1NCCS(C)(=O)=O	160212003	UQWGROHKXYHVCZ-UHFFFAOYSA-N	230.289	0.547	70	20	BCID	
O=C(CNc1cccc(F)c1)NC1(CO)CC1	160478341	BZUYLVSPBPPPOI-UHFFFAOYSA-N	238.262	0.879	70	20	BCID	
NC(=O)CCn1ccc2occc2c1=O	161404794	ZKUXDNIAJBEYGW-UHFFFAOYSA-N	206.201	0.470	70	20	BCID	
CSC[C@@](C)(O)CNC(=O)N1CCCC1	217906526	TXVARJRUVNHFTO-JTQLQIEISA-N	232.349	0.906	70	20	BCID	
Cc1[nH]ncc1C(=O)N1CC[C@@H]2CNC[C@@H]21	218282221	USERJBVATBWSPZ-SCZZXKLOSA-N	220.276	0.152	70	20	BCID	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCF	218343167	GULRQSFGYVBOMY-SSDOTTSWSA-N	234.271	0.985	70	20	BCID	
CCc1noc(CS(=O)(=O)Cl)n1	157453954	PVSJLWGMHKDXFZ-UHFFFAOYSA-N	210.642	0.701	70	20	BCID	
O=C(NC[C@H]1CCOC1)N[C@@H]1CCOC1	159393733	SLLYZWNHOUREGN-RKDXNWHRSA-N	214.265	0.111	70	20	BCID	
C[C@@H]1CSCCN1C(=O)N[C@@H]1CCOC1	159455652	VXICLOZDEXQUBF-RKDXNWHRSA-N	230.333	0.922	70	20	BCID	
CCC(CC)(CN)C(=O)N1CCC[C@@H](NC)C1	161159019	LHBRTVOGKRPPIY-LLVKDONJSA-N	241.379	0.962	70	20	BCID	
C[C@]1(CNC(=O)N[C@@H]2CCOC2)CCCO1	159426094	DOUJFNQZJFRKNS-MWLCHTKSSA-N	228.292	0.644	70	20	BCID	
C[C@@H](O)CNC(=O)c1cnc2c(c1)ncn2C	159692360	RGZMHNHGANGCLK-SSDOTTSWSA-N	234.259	0.079	70	20	BCID	
Cn1cc(CNC(=O)c2cccc(=O)n2C)cn1	160898693	VINGCBKLESPELO-UHFFFAOYSA-N	246.270	0.049	70	20	BCID	
CCOC(=O)c1ccc(CNC(=O)[C@H](C)N)o1	159574415	WGUZCDSHJBHXMM-ZETCQYMHSA-N	240.259	0.420	70	20	BCID	
CSCC[C@@H](CO)NC(=O)c1cnns1	159901669	SGQMSPGYGNITFC-LURJTMIESA-N	247.345	0.382	70	20	BCID	
C[C@@H]1CSCCN1C(=O)N[C@H]1CCOC1	159455920	VXICLOZDEXQUBF-BDAKNGLRSA-N	230.333	0.922	70	20	BCID	
C[C@H](O)C[C@H](C)NC(=O)c1ccnnc1	159766706	RRAXAYOTJCBTOZ-YUMQZZPRSA-N	209.249	0.366	70	20	BCID	
C[C@@H](CO)CNC(=O)CCOC[C@@H]1CCCO1	160404426	FRWXHKAFOGNUSW-MNOVXSKESA-N	245.319	0.317	70	20	BCID	
CCOC(=O)C[C@@H](C)NC(=O)c1cocn1	160552798	OFOPSSHXWGYFIW-SSDOTTSWSA-N	226.232	0.746	70	20	BCID	
O=C(O)[C@@H]1CCCN(S(=O)(=O)Cl)C1	217793177	KSQQJGJTJDQCLO-RXMQYKEDSA-N	227.669	0.267	70	20	BCID	
CC(C)[C@@H](CCO)NC(=O)[C@@H]1CCOC1	160484001	FAXICVSQPZLNHX-NXEZZACHSA-N	215.293	0.546	70	20	BCID	
C[C@@H]1NCCC[C@H]1NC(=O)c1ccon1	160535649	CEEITNOTOWDMFU-JGVFFNPUSA-N	209.249	0.545	70	20	BCID	
CSCC[C@@H](N)C(=O)N[C@@H](C)CSC	161206395	LSEYJNYJTRJGLU-JGVFFNPUSA-N	236.406	0.935	70	20	BCID	
CCOC(=O)CCN(CC)[C@@H]1CCNC1	218257443	TXBAGEXADWVXRX-SNVBAGLBSA-N	214.309	0.623	70	20	BCID	
CN1CCC(CNC(=O)N[C@@H]2CCOC2)CC1	159444428	HDICXPIFIPUCOI-LLVKDONJSA-N	241.335	0.416	70	20	BCID	
CC[C@H](Oc1cccc(F)c1C(N)=O)C(N)=O	159480692	ZPIZHAWEOAOGRG-ZETCQYMHSA-N	240.234	0.567	70	20	BCID	
C[C@]1(Nc2ccc3nnnn3n2)CCOC1	160075134	QQFHWPGNIRWWHX-VIFPVBQESA-N	220.236	0.110	70	20	BCID	
C[C@H]1C(=O)NCCN1CCOCC1CC1	160353267	AGZYJQGSDSDDBT-VIFPVBQESA-N	212.293	0.233	70	20	BCID	
CC[C@@H](COC)N[C@@H]1CCc2nc(C)nn2C1	160542207	ABFBLLHIHDPSAC-WDEREUQCSA-N	238.335	0.916	70	20	BCID	
CC(C)C[C@@H](CO)NC(=O)COCC1CC1	160825100	ZBSOCVGVFAUWSP-NSHDSACASA-N	229.320	0.936	70	20	BCID	
C[C@H](SCC(=O)OC(C)(C)C)C(N)=O	160982593	QRKKSZPCABGHSC-LURJTMIESA-N	219.306	0.935	70	20	BCID	
COC[C@H](O)CN[C@@H](C)c1cscn1	161203417	VQTSZNGHVDTRJW-JGVFFNPUSA-N	216.306	0.801	70	20	BCID	
N[C@H]1CCC[C@@H](NC(=O)c2cnccn2)C1	161235377	PRWFLCFYEZBFGR-DTWKUNHWSA-N	220.276	0.476	70	20	BCID	
CC(C)(N)CNC(=O)CNc1ccccc1	160022278	YRNBYONGIVSJHM-UHFFFAOYSA-N	221.304	0.952	70	20	BCID	
CC[C@H](C)C(=O)N(CCO)CCOC	160344421	XLEIYZSSZSQOKJ-VIFPVBQESA-N	203.282	0.500	70	20	BCID	
CCc1cc(C(=O)NC2(CO)CC2)[nH]n1	160461185	UFWTYDLCQPBIDL-UHFFFAOYSA-N	209.249	0.227	70	20	BCID	
CCCC[C@H](SC[C@@H](O)CO)C(=O)OC	160815446	ZWHQRKADJVUKFG-IUCAKERBSA-N	236.333	0.805	70	20	BCID	
CNC(=O)CCNC(=O)C[C@H](C)SC	161220702	DKADHZXGGWEJKD-ZETCQYMHSA-N	218.322	0.380	70	20	BCID	
CCC[C@H](O)CN[C@H]1CCCNC(=O)C1	217862618	VEOYLGXYXLVVCA-UWVGGRQHSA-N	214.309	0.406	70	20	BCID	
CC[C@H]1CO[C@H](C)CN1S(=O)(=O)Cl	104742625	BUISJLHRUWWMJQ-RQJHMYQMSA-N	227.713	0.969	70	20	BCID	
O=S(=O)(Cl)CCCO[C@@H]1CCOC1	112356987	BFRHLHVFSGGXSQ-SSDOTTSWSA-N	228.697	0.751	70	20	BCID	
COC[C@H](C)S(=O)(=O)NCc1ccncc1	159516182	LPBRDTBHLSFOPZ-VIFPVBQESA-N	244.316	0.536	70	20	BCID	
CC[C@@H](CCO)NCc1cn(C)nc1C	160154920	QAKSAFRWQUGXDV-NSHDSACASA-N	211.309	0.979	70	20	BCID	
O=C(N[C@@H]1CCC[C@@H]1CO)c1csnn1	217925910	XLZPVUNUWRAZJC-RNFRBKRXSA-N	227.289	0.429	70	20	BCID	
O=C1CNC(=O)N1CCc1ccccn1	218767945	QBPHNCDOROZRAE-UHFFFAOYSA-N	205.217	0.176	70	20	BCID	
CS(=O)(=O)[C@H]1CCC[C@H]1S(=O)(=O)Cl	114437589	BLDBZFIZRZJKLL-NTSWFWBYSA-N	246.737	0.521	70	20	BCID	
CCn1ncnc1CS(=O)(=O)Cl	114628628	ZHTXTCKBMVUIQD-UHFFFAOYSA-N	209.658	0.367	70	20	BCID	
COC[C@@H](C)NC(=O)[C@H]1CCCCO1	159613617	GVDPSGIVOUJNDG-RKDXNWHRSA-N	201.266	0.707	70	20	BCID	
CCC(N)(CC)CNC(=O)CC(=O)N(C)C	160425632	ONYRCDQNZIIOIY-UHFFFAOYSA-N	229.324	0.098	70	20	BCID	
CCO[C@H](C)C(=O)N[C@@H](CCO)C(C)C	160726801	MMYWOVJKAWQNSG-ZJUUUORDSA-N	217.309	0.935	70	20	BCID	
Cc1cccc(C(=O)NS(C)(=O)=O)c1F	161080090	FTOVKJDUQBSDRI-UHFFFAOYSA-N	231.248	0.824	70	20	BCID	
CN(C)Cc1cccc(C(=O)N2CC(O)C2)c1	161427125	HGRLNPUCHYTBCJ-UHFFFAOYSA-N	234.299	0.565	70	20	BCID	
CC(C)CCSCC(=O)NCCO	218035270	SAQSNWHTMLTALL-UHFFFAOYSA-N	205.323	0.874	70	20	BCID	
CN(C[C@H]1CCCCO1)C(=O)N[C@@H]1CCOC1	159375475	DENKTWQLHZYAMF-GHMZBOCLSA-N	242.319	0.986	70	20	BCID	
CC(C)N(C)CC(=O)N(C)[C@H](C)CO	160444949	JJLWRBKUPOXYQD-SECBINFHSA-N	202.298	0.166	70	20	BCID	
CCC[C@H](C(=O)NCc1ccnn1C)N(C)C	161492957	WCWJEXQOJUJRGK-LLVKDONJSA-N	238.335	0.767	70	20	BCID	
CN(C)CCCS(=O)(=O)N1C[C@H]2C[C@H]2C1	218128112	MJHZGGFUEISGAO-AOOOYVTPSA-N	232.349	0.220	70	20	BCID	
COC[C@@H](O)CCNC(=O)[C@@H](C(C)C)N(C)C	160819746	CPNDXVZDRWBPEW-WDEREUQCSA-N	246.351	0.086	70	20	BCID	
Cn1ccc(C(=O)N2CCC[C@H](O)C2)n1	218027823	VSYYDYYDDADTNR-QMMMGPOBSA-N	209.249	0.017	70	20	BCID	
O=c1[nH]nc(CNc2nc3cc(F)ccc3o2)[nH]1	160434422	JOFXLLKAOAFEMI-UHFFFAOYSA-N	249.205	0.990	70	20	BCID	
CSC[C@H](C)C(=O)N(C)[C@@H](C)CO	160448459	UTUVFPBBKIEGQL-YUMQZZPRSA-N	205.323	0.825	70	20	BCID	
CN[C@H]1CCN(C(=O)CCOCC(C)C)C1	160525142	NHVDZQGINIHARS-NSHDSACASA-N	228.336	0.869	70	20	BCID	
Cn1cnnc1Cn1cnc2c1CCCC2	160728442	HXIQEADVUDBDRL-UHFFFAOYSA-N	217.276	0.939	70	20	BCID	
C[C@@H](CO)S[C@@H](C)C(=O)NC1CC1	160730439	CECRQRUPRITFAJ-BQBZGAKWSA-N	203.307	0.768	70	20	BCID	
C[C@H]1CN(C(=O)[C@@]2(C)CCCNC2)CCN1	161278216	YUBQWFBHPXTYGB-JQWIXIFHSA-N	225.336	0.196	70	20	BCID	
CNCCN(C)C(=O)[C@]1(C)CCCCN1	159592043	JZJRTHVMJJQUJO-NSHDSACASA-N	213.325	0.196	70	20	BCID	
CN1CCN(CCCN2CCCCC2)CC1=O	161215847	QKUXFWFGMVJAEH-UHFFFAOYSA-N	239.363	0.636	70	20	BCID	
CN1CCC(C(=O)N2CCC[C@@H](CN)C2)CC1	218648427	SLQAFAJQKMVJFM-NSHDSACASA-N	239.363	0.526	70	20	BCID	
CSCC[C@H](CO)NC(=O)c1cnns1	159901764	SGQMSPGYGNITFC-ZCFIWIBFSA-N	247.345	0.382	70	20	BCID	
NC[C@@H]1CCCN1C(=O)COCC1CC1	160381823	LZWYMSMRLHEBGH-JTQLQIEISA-N	212.293	0.363	70	20	BCID	
CCSCCn1c(=O)ccn(CC)c1=O	161081188	RVSBGDSRDIKJMO-UHFFFAOYSA-N	228.317	0.783	70	20	BCID	
C[C@@H]1C[C@H]1C(=O)N1CC(CS(=O)(=O)F)C1	1616187036	UWQHKTMXPDMWAG-HTRCEHHLSA-N	235.280	0.400	70	20	BCID	
O=C(NCC[C@@H](O)c1ccccc1)[C@@H]1CCNC1	160852904	QECSAXJVGCQFJI-CHWSQXEVSA-N	248.326	0.836	70	20	BCID	
CNC(=O)CCNC(=O)C[C@@H](C)SC	161220813	DKADHZXGGWEJKD-SSDOTTSWSA-N	218.322	0.380	70	20	BCID	
CC(C)N1C[C@@H](NC(=O)N2CCCC2)CC1=O	217288417	LRZVDSHXYXYTOY-JTQLQIEISA-N	239.319	0.801	70	20	BCID	
CC(C)[C@H](SCCN1CCOCC1)C(N)=O	159887856	HPXGBCCUXPGCSG-JTQLQIEISA-N	246.376	0.562	70	20	BCID	
CSCCN(C)C(=O)[C@H]1CSCN1	160015046	RQUSZCYLMNOXGU-SSDOTTSWSA-N	220.363	0.470	70	20	BCID	
CCN(C)S(=O)(=O)NC1(C)CCOCC1	160983400	XUPCZGXYUODWRD-UHFFFAOYSA-N	236.337	0.342	70	20	BCID	
O=C(NC1(CO)CCC1)C1CCOCC1	161095595	VFAJQPQYOWMCOF-UHFFFAOYSA-N	213.277	0.444	70	20	BCID	
COCCOCCNC(=O)[C@H]1CC1(C)C	161223954	MDRGKZNAFHBXFM-SECBINFHSA-N	215.293	0.812	70	20	BCID	
CCO[C@@H](CC)C(=O)N1CCNCC1	159433797	FFDZYJVMIYRSCY-VIFPVBQESA-N	200.282	0.233	70	20	BCID	
N[C@@H](CNC(=O)c1csnn1)C1CC1	160129219	ILQXQMFMFQVPKO-LURJTMIESA-N	212.278	0.005	70	20	BCID	
CCCOCC(=O)N[C@@H]1CCC[C@@H]1CO	218057023	OAFLSGDMKCPHIZ-NXEZZACHSA-N	215.293	0.690	70	20	BCID	
O=C(NCc1nccs1)N[C@H]1CCOC1	159388619	OHIUPFWTBARMAI-ZETCQYMHSA-N	227.289	0.731	70	20	BCID	
CC(C)[C@@H](C(=O)NCC(C)(C)N)N(C)C	160003273	MHGSJIWOVMDIDA-VIFPVBQESA-N	215.341	0.426	70	20	BCID	
CCN(CCCO)C(=O)C[C@@H](C)COC	160324438	SLUNJRHAZXWBLW-SNVBAGLBSA-N	217.309	0.890	70	20	BCID	
C[C@]1(O)CCCN(S(=O)(=O)CC2CC2)C1	160903975	MHXLCZMWQDWDOC-JTQLQIEISA-N	233.333	0.573	70	20	BCID	
O=C([C@H]1CCNC1)N1CCO[C@@H]2CCC[C@@H]21	218264999	SLQGJQDJMCQXCZ-GARJFASQSA-N	224.304	0.376	70	20	BCID	
C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1354469328	HZRJORWFPRNIIT-ZCFIWIBFSA-N	246.263	0.977	70	20	BCID	
C[C@@H]1C[C@H]1C(=O)N1CCC(S(=O)(=O)F)CC1	1615002385	XOKQISZMWZRTDP-VXNVDRBHSA-N	249.307	0.933	70	20	BCID	
COC[C@H](C)N[C@H](CCO)CSC	160413989	RSLWZFNYDDZSPZ-DTWKUNHWSA-N	207.339	0.725	70	20	BCID	
CCOCCC(=O)NCC1=CCNCC1	160515040	OIBYJBCYGYCWTO-UHFFFAOYSA-N	212.293	0.449	70	20	BCID	
C[C@@H]1CC[C@@H](C(N)=O)CN1CCOCC1CC1	160526681	KSOJZCNKFMUPQD-ZYHUDNBSSA-N	240.347	0.999	70	20	BCID	
C[C@H](N)C(=O)NCc1ncc(C(C)(C)C)o1	160636298	XXMDXMKGYNNANZ-ZETCQYMHSA-N	225.292	0.936	70	20	BCID	
CCN1C[C@H](C(=O)NC2CC=CC2)CC1=O	160864547	XNZKIQLIJMSZKQ-SECBINFHSA-N	222.288	0.690	70	20	BCID	
CCOC(=O)CSCc1nncn1C	160950161	IWCUGLNDRLGXTC-UHFFFAOYSA-N	215.278	0.611	70	20	BCID	
COCC[C@@H](C)NC(=O)N[C@@H]1CCOC1	159398559	CTJADEKMMMVYPB-RKDXNWHRSA-N	216.281	0.500	70	20	BCID	
C[C@H]1CSCCN1C(=O)N[C@@H]1CCOC1	159455785	VXICLOZDEXQUBF-DTWKUNHWSA-N	230.333	0.922	70	20	BCID	
O=C(NCCc1cscn1)N[C@H]1CCOC1	159459326	QBXCXJFHWRRHRO-QMMMGPOBSA-N	241.316	0.774	70	20	BCID	
Cc1conc1NC(=O)C(=O)N1CCCC1	160297706	LCRBYHLKDLZRRE-UHFFFAOYSA-N	223.232	0.544	70	20	BCID	
CC[C@H](COC)NS(=O)(=O)CC(C)C	160301084	DTTOUOIEWVNNFU-SECBINFHSA-N	223.338	0.987	70	20	BCID	
COC[C@H](O)CCNC(=O)[C@@H]1CCCS1	161016175	OGFITCUCANWNMO-BDAKNGLRSA-N	233.333	0.396	70	20	BCID	
O=C(N[C@@H]1CCC[C@H]1O)C1(O)CCCCC1	161166535	ANQJYSYECPEKDW-NXEZZACHSA-N	227.304	0.711	70	20	BCID	
CCCN1CCCN(C(=O)[C@H]2CCOC2)CC1	160376826	BKHQJLPFSPZCRU-LBPRGKRZSA-N	240.347	0.967	70	20	BCID	
CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)C(C)C	160802901	NXQXIYPTGYAXRZ-BDAKNGLRSA-N	230.308	0.285	70	20	BCID	
COc1cccnc1NC[C@@H]1COCCO1	160213319	IISVKCGLOXZPSI-SECBINFHSA-N	224.260	0.918	70	20	BCID	
C[C@@H](NCCS(C)(=O)=O)c1cscn1	161177349	CGUIZOQZVCDEPK-SSDOTTSWSA-N	234.346	0.838	70	20	BCID	
CCNC(=O)N1CCc2ncncc2C1	218067273	JCODRRKKVCACIX-UHFFFAOYSA-N	206.249	0.564	70	20	BCID	
C[C@H](O)CNC(=O)c1cccc(OCCO)c1	160003475	UTIJINQGXXVZQI-VIFPVBQESA-N	239.271	0.168	70	20	BCID	
CNC[C@H]1CCCN1C(=O)Cc1cc(C)[nH]n1	161387928	SMRVGAPAXZWHRJ-LLVKDONJSA-N	236.319	0.471	70	20	BCID	
COC[C@H]1CCN(C(=O)N[C@@H]2CCOC2)C1	159567554	VUYCAYPWHJSYSU-VHSXEESVSA-N	228.292	0.453	70	20	BCID	
CC[C@H](O)CNC(=O)c1ccccc1O	159717504	RPRCKTCPJSUKOX-QMMMGPOBSA-N	209.245	0.893	70	20	BCID	
CS[C@@H](C)C(=O)N(CC(N)=O)CC(C)C	159720167	CGMQTAOXBPSRCK-QMMMGPOBSA-N	232.349	0.708	70	20	BCID	
CC[C@@H](C)OCC(=O)N(C)C[C@@H](C)C(=O)NC	160412808	GLQODIMQTSHYPW-NXEZZACHSA-N	244.335	0.642	70	20	BCID	
CCOc1cccc(CN2CCNC(=O)C2)n1	160498173	ZLPJYJRLRWNSQM-UHFFFAOYSA-N	235.287	0.412	70	20	BCID	
CO[C@@H](C)C(=O)N1CCCC[C@H]1CCO	160527745	DPRKMYRTOPPVMA-UWVGGRQHSA-N	215.293	0.785	70	20	BCID	
CCCNS(=O)(=O)N1CCC[C@](C)(O)C1	160753447	IOOLCLUBZIGQSO-VIFPVBQESA-N	236.337	0.078	70	20	BCID	
COCCNC(=O)N[C@@H](C)[C@@H](CO)SC	160775872	DPQBJSDDWNFSDJ-JGVFFNPUSA-N	236.337	0.044	70	20	BCID	
C[C@H](N)C(=O)Nc1cnn(CC(F)F)c1	160989625	GYOBFDIMUDOSKQ-YFKPBYRVSA-N	218.207	0.434	70	20	BCID	
CS(=O)(=O)NCCCNCc1nccs1	218086299	UJJMRLMKCCPMDK-UHFFFAOYSA-N	249.361	0.172	70	20	BCID	
CCN(CCNC[C@H](O)COC)C1CC1	218512518	WDOUWQMFJLUVPN-NSHDSACASA-N	216.325	0.068	70	20	BCID	
CC1=CCN(S(=O)(=O)c2c[nH]cn2)CC1	160107613	GREYEIATTYIZQX-UHFFFAOYSA-N	227.289	0.750	70	20	BCID	
Cc1cc(S(=O)(=O)F)ccc1-n1cnnn1	675063071	HSVIBWZRUFKKEU-UHFFFAOYSA-N	242.235	0.629	70	20	BCID	
Nc1ncn(CC(=O)N2C[C@H]3CCC[C@H]3C2)n1	159517713	GRZMWZOBOGZNGU-DTORHVGOSA-N	235.291	0.119	70	20	BCID	
O=C(c1csnn1)N1C[C@@H]2CCC[C@H](C1)N2	159768383	FQACOBMJPAYMIR-OCAPTIKFSA-N	238.316	0.505	70	20	BCID	
CCCNC(=O)CN1CC[C@H](CCN)C1	160073928	VMCUVBFEJLZDIO-JTQLQIEISA-N	213.325	0.183	70	20	BCID	
COCC(C)(C)C(=O)NCC(=O)NC1CC1	160183461	VIOZBHBLNNFPQT-UHFFFAOYSA-N	228.292	0.054	70	20	BCID	
COCCC1(CNC(=O)NCCCO)CC1	161150320	AXRJOOWEPCNXTR-UHFFFAOYSA-N	230.308	0.485	70	20	BCID	
CN1CCC[C@@H]1CNCc1ccnn1C	218235123	CATBFVAFYZVZKH-SNVBAGLBSA-N	208.309	0.604	70	20	BCID	
CC[C@H](C(=O)N[C@H](C)C(=O)OC)N(C)C	159630723	SIGDRTKNLMWYBC-HTQZYQBOSA-N	216.281	0.004	70	20	BCID	
CCCC1(CNC(=O)[C@H]2CCC(=O)N2)CC1	160652450	LQWPSGKBLDZAPP-SECBINFHSA-N	224.304	0.962	70	20	BCID	
CC(C)(NS(C)(=O)=O)C(=O)NC1CC=CC1	160926135	SGFZFAWQUSFCKL-UHFFFAOYSA-N	246.332	0.149	70	20	BCID	
CC[C@H](CO)NC(=O)c1c(C)ccnc1O	161107168	LKTPASGQOWHVND-MRVPVSSYSA-N	224.260	0.596	70	20	BCID	
CCC[C@H](O)CNC(=O)CNC(C)C	217964353	BGQSACKGXFXYMU-VIFPVBQESA-N	202.298	0.262	70	20	BCID