smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCOCc1cc(CC(C)=O)ccc1OC[C@H](O)CNC(C)C	148637789	RDGZUIPJFSAJSX-GOSISDBHSA-N	337.460	2.482	0	30	EEAC	
CC(C)(C)OC(=O)N1CC[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1	953102790	PPIJXWOOHZITFE-HOTGVXAUSA-N	346.427	2.423	0	30	EEAC	
C=C(C)C(=O)O[C@@H]1CC2=C[C@@H](CC(C)=C[C@@H]3OC(=O)C(=C)[C@H]31)OC2=O	2031774	JMUOPRSXUVOHFE-QKPAOTATSA-N	344.363	2.164	0	30	EEAC	biogenic
COc1cc([C@H]2N[C@@H](C(=O)O)C(C)(C)S2)cc(OC)c1OC	4371003	LDHMPQFIYHHUPO-STQMWFEESA-N	327.402	2.279	0	30	EEAC	
O=C(CSc1n[nH]c(=O)n1Cc1ccco1)c1ccc(F)cc1	15923263	VBIBZUCNDYLNIR-UHFFFAOYSA-N	333.344	2.327	0	30	EEAC	
COc1ccc(CC2C(=O)OC(C)(C)OC2=O)c(Cl)c1OC	84573	YOECQVATAAHVKE-UHFFFAOYSA-N	328.748	2.352	0	30	EEAC	
O=C(OCCS(=O)(=O)c1ccccn1)c1cccc(Cl)c1	132128	ZKUXPLMDTMPAQH-UHFFFAOYSA-N	325.773	2.366	0	30	EEAC	
CSC[C@@H](O)Cn1nc(O)c2cc(Cl)c(Cl)cc2c1=O	12368786	BVEYMVRXRNMYHP-LURJTMIESA-N	335.212	2.133	0	30	EEAC	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2C)cc1	110000312	ZGLBUWNETZENKI-BRWVUGGUSA-N	338.363	2.172	0	30	EEAC	
COc1cc(C2=N[C@@H](O)C(=O)Nc3ccc(Cl)cc32)ccc1O	83397	GKNYPYUHSUOPAS-INIZCTEOSA-N	332.743	2.162	0	30	EEAC	
CC(C)(O)C(C)(C)OB(O)c1cc2c(Br)cccc2[nH]1	200313547	MGKZFJUBBVRQNP-UHFFFAOYSA-N	340.026	2.184	0	30	EEAC	
CC(C)(O)C(C)(C)OB(O)c1cc2cc(Br)ccc2[nH]1	200313262	KVBOKTISIOEBMZ-UHFFFAOYSA-N	340.026	2.184	0	30	EEAC	
CC(C)N(C=O)[C@@H]1NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O	1565503617	PFHJQQBZFAFQQD-NSHDSACASA-N	330.171	2.243	0	30	EEAC	
O[C@@H](c1ccccc1Cl)[C@@](O)(Cn1cncn1)C1(Cl)CC1	212628375	JOFJRMIXOWNPNA-JSGCOSHPSA-N	328.199	2.168	0	30	EEAC	
C[C@]12C[C@H](O[N+](=O)[O-])[C@@]3(O)c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O	6068015	QKNRTYSNSQAVCD-YECZKDOJSA-N	347.367	2.108	0	30	EEAC	
CCOC(=O)C(=CNc1cc(C(=O)OC)ccc1C)C(=O)OCC	3138442	LZCZXIVSEPFIHL-UHFFFAOYSA-N	335.356	2.204	0	30	EEAC	
Cc1ccc(-n2ncc(N(C)N3CC(C)(C)C3=O)c(Cl)c2=O)cc1	132062	LGAPNRVTPJQCDM-UHFFFAOYSA-N	346.818	2.414	0	30	EEAC	
O=C1[C@@H]2ON3CCCC[C@@H]3[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1	254477765	QUGMFEZLVDFSEJ-JHJVBQTASA-N	340.301	2.363	0	30	EEAC	
CCOC(=O)CCc1ccc(OC[C@@H](O)CNC(C)C)c(F)c1	5855427	AXFBWQJYWRDHOP-AWEZNQCLSA-N	327.396	2.059	0	30	EEAC	
CC[C@H]1COCCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	145561543	UODILLNNNINBID-UZYOAWRESA-N	335.400	2.363	0	30	EEAC	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)nc1)C(=O)O	44299071	WMWLTWBDPDLKHY-SECBINFHSA-N	345.193	2.365	0	30	EEAC	
O=C(OC[C@H]1CCCO1)c1ccccc1C(=O)OC[C@H]1CCCO1	6095224	FVNABQUYTVWAOS-ZIAGYGMSSA-N	334.368	2.358	0	30	EEAC	
CC(C)(C)OC(=O)N1CC2(CNCC23CCC2(CC3)OCCO2)C1	1565504643	UAQIAOHDVBBQLY-UHFFFAOYSA-N	338.448	2.130	0	30	EEAC	
CN(C)c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1	20223732	NVHIQLSPMLSUNI-UHFFFAOYSA-N	326.400	2.237	0	30	EEAC	
Cc1cccc(Nc2nc(N[C@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1	38208359	NZNTWOVDIXCHHS-GJZGRUSLSA-N	340.431	2.309	0	30	EEAC	
NCCc1nc2ccc(-c3cccc(-c4nc(C(N)=O)co4)c3)cc2[nH]1	2265384651	FMWRZLASMVUZCT-UHFFFAOYSA-N	347.378	2.485	0	30	EEAC	
COc1ccc(/C=C/C(=O)N(C)CCCCN(C)C(C)=O)cc1OC	223544889	VDALGFDSVDNXQT-PKNBQFBNSA-N	348.443	2.434	0	30	EEAC	
O=C(O)c1ccccc1C(=O)Nc1ccccc1N1CCOCC1	153617	IGQIOTKIBBYFPX-UHFFFAOYSA-N	326.352	2.474	0	30	EEAC	
CCOC(=O)C1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1	118099	UYRSLPFAEWPTHH-UHFFFAOYSA-N	345.399	2.427	0	30	EEAC	
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1cccnc1	123114	JFMYXJUZPGSLJB-UHFFFAOYSA-N	348.288	2.393	0	30	EEAC	
CN1C=C(/C=C/c2ccccc2OCCN2CCN(C)CC2)OC1	95934742	NZWIFQZEZKWETO-BQYQJAHWSA-N	329.444	2.087	0	30	EEAC	
CCOC(=O)Cc1csc(NC(=O)CC(C)(C)CC(=O)O)n1	154983	DGDNMDCHRZFEFO-UHFFFAOYSA-N	328.390	2.078	0	30	EEAC	
C[C@]12C[C@@H](O[N+](=O)[O-])[C@@]3(O)c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O	96336925	QKNRTYSNSQAVCD-VGAPYMQISA-N	347.367	2.108	0	30	EEAC	
CC(C)c1ncc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(N)n1	149255	GCAYBTXVNSFGMD-UHFFFAOYSA-N	346.334	2.429	0	30	EEAC	
O=C1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1	14438974	ATKCJVLOYSNJNI-DTZQCDIJSA-N	338.400	2.432	0	30	EEAC	
COc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1OC	17083508	JARZZCGQPVIEBO-UHFFFAOYSA-N	339.277	2.410	0	30	EEAC	
CCOC(=O)C=C1SCC(=O)N1CC(=O)Nc1cc(C)ccc1C	3326522	GRJJYTYYBUHFAJ-UHFFFAOYSA-N	348.424	2.222	0	30	EEAC	
CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO[N+](=O)[O-])c1ccccc1)C2	267327643	NJWHLBFNOHWIKI-OFQRWUPVSA-N	334.372	2.147	0	30	EEAC	
COC(=O)c1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1	79034057	AFJWRJSEKOVVFH-UHFFFAOYSA-N	330.365	2.368	0	30	EEAC	
CC(C)(C)OC(=O)N1CCn2c(cnc2I)C1	95093450	GKSFXAQNYSKGOW-UHFFFAOYSA-N	349.172	2.238	0	30	EEAC	
CCOC(=O)C(=CNc1ccc2c(c1)CCN2C(C)=O)C(=O)OCC	100402161	JYRYPEKYDYPYAZ-UHFFFAOYSA-N	346.383	2.018	0	30	EEAC	
CCOC(=O)C(=CNc1c(C)csc1C(=O)OC)C(=O)OCC	3179983	JZWPMGOKTQBERW-UHFFFAOYSA-N	341.385	2.265	0	30	EEAC	
CNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21	3650989	AMBXGPUSYOQJDY-UHFFFAOYSA-N	341.798	2.270	0	30	EEAC	
S=C(NCCc1ccccc1)NNC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2	100242765	IRVFZSQFJNODJS-SOUVJXGZSA-N	346.525	2.037	0	30	EEAC	
CC1(C)Cc2cccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2O1	129955	KVYQHNVMFSLNIM-UHFFFAOYSA-N	346.408	2.300	0	30	EEAC	
O=C(CSc1n[nH]c(=O)n1-c1ccccc1)Nc1ccccc1	15923304	BERZCESOJKZIPN-UHFFFAOYSA-N	326.381	2.291	0	30	EEAC	
O=C(NCCNCCO)OCC1c2ccccc2-c2ccccc21	2541580	XOILHGKZUYLIHN-UHFFFAOYSA-N	326.396	2.107	0	30	EEAC	
COC(=O)c1c(C(=O)OC)c2n(c1C(=O)OC)CCc1ccccc1-2	347982	ZDQAWXBOPWWUEO-UHFFFAOYSA-N	343.335	2.071	0	30	EEAC	
Cc1ccc(C(=O)NC(=O)NC[C@H]2COc3ccccc3O2)cc1	169098	XDZNHHJTCOGBIS-AWEZNQCLSA-N	326.352	2.274	0	30	EEAC	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1cccs1	114899	YAMOWVOMTRJUMY-UHFFFAOYSA-N	329.399	2.223	0	30	EEAC	
C[C@H]1CCNC[C@H]1NC(=O)c1ccc2cncc(Br)c2n1	638176497	CQXZKOKNDKVJMD-TVQRCGJNSA-N	349.232	2.120	0	30	EEAC	
CC[C@]1(c2ccccc2)C(=O)NC(=O)N1S(=O)(=O)c1ccccc1	5651319	HWWVPVUGOLNSEB-KRWDZBQOSA-N	344.392	2.233	0	30	EEAC	
CCCCCC[C@H](CCC)OC(=O)[C@@H](CC(=O)O)S(=O)(=O)O	200085277	RVTGKSRKKCWQGW-NWDGAFQWSA-N	338.422	2.400	0	30	EEAC	
COc1cc([C@H]2Oc3c(OC)cc(C(=O)O)cc3[C@@H]2CO)ccc1O	105823794	MRHRLMTUTXWEQP-BLLLJJGKSA-N	346.335	2.317	0	30	EEAC	biogenic
COc1c(C[C@H](NC(C)=O)C(=O)O)cccc1OCC1CCCC1	128261	LXWZBEQOWBDKRL-HNNXBMFYSA-N	335.400	2.396	0	30	EEAC	
Cc1nn(-c2ccccc2)nc1CNS(=O)(=O)c1cccs1	131705	WWAZQMAIFZFOSV-UHFFFAOYSA-N	334.426	2.116	0	30	EEAC	
CC(C)(C)OC(=O)NC[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1	306679834	IZQMAASZBXIICH-INIZCTEOSA-N	344.408	2.223	0	30	EEAC	
C[C@H](CN1CCOCC1)C(C(N)=O)(c1ccccc1)c1ccccc1	32250654	NLPPXEVCOCNANN-QGZVFWFLSA-N	338.451	2.426	0	30	EEAC	in-vitro
CNS(=O)(=O)c1c(I)ccc2ccccc12	173160	FTVMJWNKVVLDPV-UHFFFAOYSA-N	347.177	2.353	0	30	EEAC	
CC(=O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C	5167212	KGUIRCJFUORGCN-DWHPWSNTSA-N	348.483	2.457	0	30	EEAC	
CCCOc1cc(-c2ccccc2)nn(CCN2CCOCC2)c1=O	31561702	NBRLBCRGVCFMFV-UHFFFAOYSA-N	343.427	2.031	0	30	EEAC	
O=C(Nc1ccn([C@@H]2CCNC2)n1)c1cccc(OC2CCCC2)c1	564836564	CMCYGFOFBJZCGV-OAHLLOKOSA-N	340.427	2.991	0	30	EEAC	
Cc1noc(C)c1-c1nc(CS(=O)(=O)c2ccsc2)no1	114187	VJTPSDQPGGZXAK-UHFFFAOYSA-N	325.371	2.377	0	30	EEAC	
C[Sn](C)(C)c1nc(Br)cs1	198687511	JEWOPTFNWJASAH-UHFFFAOYSA-N	326.835	2.451	0	30	EEAC	
COC(=O)c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1	150072	WDYWPYQAKVUWFP-UHFFFAOYSA-N	349.286	2.454	0	30	EEAC	
O=C(OC[C@@H]1CCCO1)c1ccccc1C(=O)OC[C@H]1CCCO1	6095221	FVNABQUYTVWAOS-OKILXGFUSA-N	334.368	2.358	0	30	EEAC	
CCN(Cc1nc2c([nH]1)c(=N)[nH]c1cc(-c3cc[nH]n3)ccc12)C(C)=O	2048465567	UHNRLQRZRNKOKU-UHFFFAOYSA-N	349.398	2.282	0	30	EEAC	
CCOC(=O)N1CCCN=C1NNc1cc(Cl)ccc1OC	93497	XGDOCKOZDLJRAV-UHFFFAOYSA-N	326.784	2.483	0	30	EEAC	
CCCCC[C@@H]1CCCCC[C@H](O)C[C@@H](O)[C@H](O)/C=C\C(=O)O1	2265356122	LEEBEEPDVOWSDN-YCXIDOKHSA-N	328.449	2.472	0	30	EEAC	
CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1	3078762	UZUYQHNHQMQPLI-UHFFFAOYSA-N	334.825	2.143	0	30	EEAC	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C2(CCC3(CC2)OCCO3)C1	757185732	RTQKRWCYVSKQFH-LBPRGKRZSA-N	341.404	2.241	0	30	EEAC	
COC(=O)c1ccc2c(c1)CC[C@@]1(CCCN(CC3COC3)C1=O)C2	585164248	ZUJHPIIQUSCGCW-FQEVSTJZSA-N	343.423	2.217	0	30	EEAC	
COC(=O)/C(=C\N(C)C)S(=O)(=O)c1cc(C)c(Cl)cc1C	33381017	PPCHVSACZMPGNO-MDWZMJQESA-N	331.821	2.307	0	30	EEAC	
COc1ccc(OC[C@@H](O)CNC(=O)Nc2ccc(F)cc2)cc1	151761	WJQFJGQUQBBXIN-AWEZNQCLSA-N	334.347	2.396	0	30	EEAC	
CC(C)(C)OC(=O)NCCN(CCN)C(=O)OCc1ccccc1	96102676	KBUPVELHFRVNNM-UHFFFAOYSA-N	337.420	2.109	0	30	EEAC	
CCOC(=O)C(=CNc1csc(C)c1C(=O)OC)C(=O)OCC	2155289	MKAYSYLQBVYVCE-UHFFFAOYSA-N	341.385	2.265	0	30	EEAC	
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)CCN1	202278467	KVJUCQBYIRWJBO-UHFFFAOYSA-N	335.404	2.381	0	30	EEAC	
CCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)oc1C	4324323	REIVQBWRHVRZSN-UHFFFAOYSA-N	328.434	2.293	0	30	EEAC	
C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCc2ccn3c2[C@@H](CC3)OC1=O	34646438	UFHUKMOBKQSATC-LVXQNXKVSA-N	333.384	2.256	0	30	EEAC	
OCCN(CCO)C(=S)Nc1ccc(Cl)c(C(F)(F)F)c1	243264974	KVGNISJYYUTLSR-UHFFFAOYSA-N	342.770	2.342	0	30	EEAC	
C[C@H]1CCNC[C@@H]1NC(=O)c1ccc2cncc(Br)c2n1	638176498	CQXZKOKNDKVJMD-ZANVPECISA-N	349.232	2.120	0	30	EEAC	
CC(C)CCCCCCCOC(=O)[C@@H](CC(=O)O)S(=O)(=O)O	34065022	PWTDXSJCVGCUJD-GFCCVEGCSA-N	338.422	2.257	0	30	EEAC	
CC(C)(O)C(C)(C)OB(O)c1cc2ccc(Br)cc2[nH]1	200312965	HELFXGABLPHZDX-UHFFFAOYSA-N	340.026	2.184	0	30	EEAC	
CCCCC[C@H](O)[C@H](O)C[C@H](O)[C@@H](O)CCCCCCCC(=O)O	257565701	VJOGZGLNDROOFS-NXOAAHMSSA-N	348.480	2.216	0	30	EEAC	
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCc2ccccc2)CCC1=O	146800738	MXQAWFWVCSPTCP-AWEZNQCLSA-N	348.399	2.491	0	30	EEAC	
COc1cc(C(=O)Nc2ccc3[nH]nnc3c2)cc(OC)c1OC	67760	BVBHFTWIVZHOPL-UHFFFAOYSA-N	328.328	2.236	0	30	EEAC	
CC(C)(C)OC(=O)Nc1nc(/C(=C\CC(=O)O)C(=O)O)cs1	95931570	WEQWVNVDIQJFJQ-QPJJXVBHSA-N	328.346	2.433	0	30	EEAC	
COc1ccc(OC[C@H](O)CNC(=O)Nc2ccc(F)cc2)cc1	151757	WJQFJGQUQBBXIN-CQSZACIVSA-N	334.347	2.396	0	30	EEAC	
Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC2(CC1)OCCO2	153878	AAIRAGHNRCJJNU-UHFFFAOYSA-N	330.306	2.388	0	30	EEAC	
CCOC(=O)N1CCC(NC(=O)Nc2ccc3c(c2)CCO3)CC1	151662	VNLNAHINQXUTFK-UHFFFAOYSA-N	333.388	2.364	0	30	EEAC	
COc1ccccc1N1CCN(C(=O)[C@H](C)Nc2ccccn2)CC1	59299569	YBCNPJGKLQRKSW-HNNXBMFYSA-N	340.427	2.239	0	30	EEAC	
Cn1cc(I)c2nc(Br)cnc21	575442137	RCRGQDPKSQZEDU-UHFFFAOYSA-N	337.946	2.335	0	30	EEAC	
O=C(c1ccccc1)c1ccc(OCCCS(=O)(=O)O)cc1O	33505986	KNNOFHSXZLFHLQ-UHFFFAOYSA-N	336.365	2.280	0	30	EEAC	
Nc1nc(N2CCCC2)ncc1S(=O)(=O)c1ccc(Cl)cc1	165981	JXOOTLIMSKDKIY-UHFFFAOYSA-N	338.820	2.145	0	30	EEAC	
O[C@@H](c1nc2cc(F)ccc2[nH]1)[C@H](O)c1nc2ccc(F)cc2[nH]1	15924029	GATVUWZGDBORAV-OKILXGFUSA-N	330.294	2.484	0	30	EEAC	
CCOC(=O)C1=NO[C@@H](COc2ccc(Cl)cc2C=NO)C1	254293101	YBEXMVBQSQLANY-LLVKDONJSA-N	326.736	2.235	0	30	EEAC	
S=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)N[C@H]1C[C@H]2CC[C@H]1C2	252427773	FJRHPVVQAWERQO-LHEWDLALSA-N	338.546	2.207	0	30	EEAC	
CC(=O)Nc1ccc(O[C@H](NCCc2ccc(O)cc2)[C@@H](C)O)cc1	223693418	QMNMCZAKYPDCBP-YJYMSZOUSA-N	344.411	2.269	0	30	EEAC	
COc1ccc(C(=O)CSc2n[nH]c(=O)n2Cc2ccco2)cc1	15923261	MWVVUAFQWLFBRZ-UHFFFAOYSA-N	345.380	2.196	0	30	EEAC	
COC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1	71614654	IQVNTJNTBZJMRH-OAHLLOKOSA-N	334.416	2.453	0	30	EEAC	
O=S(=O)(NCCCN1CCCC1)c1ccccc1Br	7728089	YBYZIACHHZCPJY-UHFFFAOYSA-N	347.278	2.213	0	30	EEAC	
COc1ccccc1[C@H](C(=O)O)N1CC(NC(=O)OC(C)(C)C)C1	299803451	QLYKJGOZWKMGTJ-CQSZACIVSA-N	336.388	2.030	0	30	EEAC	
CC(C)S(=O)(=O)c1nnn(-c2cc(Cl)cc(Cl)c2)c1N	106993	DWRWGQXGHYJVCP-UHFFFAOYSA-N	335.216	2.338	0	30	EEAC	
O=C(O)CCCCC[C@H](C(=O)O)[C@H](CCCCCC(=O)O)C(=O)O	146948764	XSIFJEWKWAUDGS-RYUDHWBXSA-N	346.376	2.458	0	30	EEAC	
O=C1C[C@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46	4164459	QMGVPVSNSZLJIA-KRCNFQFXSA-N	334.419	2.093	0	30	EEAC	in-vitro
C[C@@H]1[C@H](O)C=C2CCCC[C@@H]2[C@@H]1CC[C@@H](O)C[C@@H](O)CC(=O)O	263590104	XURYLQWHJLNCFX-LKPMVJSRSA-N	326.433	2.097	0	30	EEAC	
COC(=O)c1cc(CCNC(=O)OC(C)(C)C)cc(C(=O)OC)c1	95764907	KNKZYAWQPMDMIQ-UHFFFAOYSA-N	337.372	2.327	0	30	EEAC	
O=C(O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(F)c1	106795038	KFUBMMVGLUPUDS-HNNXBMFYSA-N	335.356	2.026	0	30	EEAC	
NCc1ccc(CNC(=O)Cc2ccc3c(c2)CCCO3)c(F)c1	653222958	XHWCXSYBDJROQB-UHFFFAOYSA-N	328.387	2.468	0	30	EEAC	
COC(=O)c1cc(S(=O)(=O)Nc2nn(C)c3ccccc23)oc1C	117828	OTAQYODONQNYBJ-UHFFFAOYSA-N	349.368	2.062	0	30	EEAC	
Fc1cc(I)cc(F)c1[C@H]1COCCN1	238602951	SGTQHOWINJPKKG-SECBINFHSA-N	325.096	2.230	0	30	EEAC	
Cc1ccc2oc(=O)n(CCc3noc(-c4cc(C)on4)n3)c2c1	154290	YHKRBCLCJQPPIF-UHFFFAOYSA-N	326.312	2.492	0	30	EEAC	
O=C(O)CCCCC[C@@H](C(=O)O)[C@@H](CCCCCC(=O)O)C(=O)O	146948610	XSIFJEWKWAUDGS-VXGBXAGGSA-N	346.376	2.458	0	30	EEAC	
CN(C(=O)c1cnc(Cl)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	192806441	PYCYVJWSDDYDBO-SNVBAGLBSA-N	340.811	2.211	0	30	EEAC	
COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(CO)c2)cc1	5735280	VPMWDFRZSIMDKW-ORAYPTAESA-N	331.412	2.147	0	30	EEAC	biogenic,in-man
CCCOCc1cc(CC(C)=O)ccc1OC[C@@H](O)CNC(C)C	148637990	RDGZUIPJFSAJSX-SFHVURJKSA-N	337.460	2.482	0	30	EEAC	
O=S(=O)(NCCc1ccccn1)c1ccc(-c2ccno2)s1	12368817	WXMRUIWXWQGOTP-UHFFFAOYSA-N	335.410	2.319	0	30	EEAC	
S=C(NCCc1ccccc1)NNC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2	100242766	IRVFZSQFJNODJS-KKUMJFAQSA-N	346.525	2.037	0	30	EEAC	
Cc1c(C(=O)N(C)C2CCN(C)CC2)cnn1-c1ccc(F)cc1	153689	PAZLPZQZBMFLGW-UHFFFAOYSA-N	330.407	2.486	0	30	EEAC	
COc1ccc(C[C@@H](C)NC[C@@H](O)c2ccc(O)c(CO)c2)cc1	705	VPMWDFRZSIMDKW-BFUOFWGJSA-N	331.412	2.147	0	30	EEAC	biogenic,in-man
COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C(=O)O)cc1OC	238790475	HDFVRSRWBFZGSA-CQSZACIVSA-N	327.336	2.360	0	30	EEAC	
COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)c1	147986	UYCVIUOAFGEQSG-UHFFFAOYSA-N	349.364	2.175	0	30	EEAC	
CC(C)(C)OC(=O)N[C@@H](Cc1cncc(Br)c1)C(=O)O	44300628	VDWZBIYCAYZSJW-JTQLQIEISA-N	345.193	2.365	0	30	EEAC	
Cc1csc2ncnc(N3CCN(C(=S)NCC4CC4)CC3)c12	82946	KZWSQAGLSJHYTL-UHFFFAOYSA-N	347.513	2.406	0	30	EEAC	
Cc1c[nH]c(/C=C2\C(=O)Nc3ccccc32)c1CCC(=O)OCCO	65748724	NSFFLGUKJSGGAP-GDNBJRDFSA-N	340.379	2.284	0	30	EEAC	in-vitro
C[C@]1(C(=O)O)CN(C(=O)OCc2ccccc2)C[C@](C)(C(=O)O)C1	95921552	NQONQVXXZZVOMU-IAGOWNOFSA-N	335.356	2.211	0	30	EEAC	
Cc1ccccc1OC[C@@H](O)COC(=O)COc1ccc(F)cc1	2017872	QTNBBHNCRGDBQA-OAHLLOKOSA-N	334.343	2.496	0	30	EEAC	
O=S(=O)(Oc1ccccc1N1CCOCC1)c1cccs1	4332759	PEMULPNZFGHOGQ-UHFFFAOYSA-N	325.411	2.352	0	30	EEAC	
COc1cccc([C@@]23C=CCC[C@H]2[C@H](CO)N(C)C(=O)C3)c1OC	2265351672	GFFBYHYGEPCCBR-ZUEVXXBESA-N	331.412	2.131	0	30	EEAC	
CC(C)(C)NC[C@H](O)COc1c(C(=O)O)sc2c1CCCC2	33889425	NUTVUGLLDHQDQW-JTQLQIEISA-N	327.446	2.453	0	30	EEAC	
CCOC(=O)C(NC(=O)c1cc2ccccc2s1)C(=O)OCC	2151477	KAQXRHNCFOFTQD-UHFFFAOYSA-N	335.381	2.126	0	30	EEAC	
COc1cc(C2=N[C@H](O)C(=O)Nc3ccc(Cl)cc32)ccc1O	83398	GKNYPYUHSUOPAS-MRXNPFEDSA-N	332.743	2.162	0	30	EEAC	
Cc1nc(-c2ccc(S(=O)(=O)NCCN(C)C)s2)cs1	66520	LVEZWMNCXRKDKA-UHFFFAOYSA-N	331.488	2.020	0	30	EEAC	
CC(C)(C)OC(=O)N1CC[C@@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1	953102786	PPIJXWOOHZITFE-CVEARBPZSA-N	346.427	2.423	0	30	EEAC	
CC(C)Oc1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)cc2)n1	5138399	JTEBBSHJCMFTFV-UHFFFAOYSA-N	344.780	2.303	0	30	EEAC	
COC(=O)[C@@]12CCC3(CCN(C(=O)OC(C)(C)C)CC3)[C@H]1CNC2	953033981	NQMYJHQRIHZGRH-FZKQIMNGSA-N	338.448	2.176	0	30	EEAC	
CCCCNS(=O)(=O)c1n[nH]c2ccc(Br)cc12	607717050	ONPMXOCDOXQVDF-UHFFFAOYSA-N	332.223	2.404	0	30	EEAC	
CCN(CC)CCOC(=O)CCCCC(=O)OCCN(CC)CC	5649940	RGAMPJYGTCSRAG-UHFFFAOYSA-N	344.496	2.317	0	30	EEAC	
O=C(O)CCCCC[C@H](C(=O)O)[C@@H](CCCCCC(=O)O)C(=O)O	146948444	XSIFJEWKWAUDGS-TXEJJXNPSA-N	346.376	2.458	0	30	EEAC	
COC(=O)c1ccccc1SC(=O)c1cnc2n(c1=O)CCS2	107228	ZSAJLQICULBNAE-UHFFFAOYSA-N	348.405	2.068	0	30	EEAC	
C[C@@]1(C(=O)O)CN(C(=O)OCc2ccccc2)C[C@](C)(C(=O)O)C1	95921551	NQONQVXXZZVOMU-CALCHBBNSA-N	335.356	2.211	0	30	EEAC	
CC1=CC[C@H]2C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@@H]2C1	100234072	QEHYBGJQNDYOAE-IAGOWNOFSA-N	326.396	2.369	0	30	EEAC	
C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(Cl)n1	143902459	QTQBSOLQWXAFRV-AOUSDQRYSA-N	330.841	2.021	0	30	EEAC	
CCCCCC[C@@H](CCC)OC(=O)[C@H](CC(=O)O)S(=O)(=O)O	200085308	RVTGKSRKKCWQGW-NEPJUHHUSA-N	338.422	2.400	0	30	EEAC	
O[C@@H](c1ccccc1Cl)[C@](O)(Cn1cncn1)C1(Cl)CC1	212628257	JOFJRMIXOWNPNA-GXTWGEPZSA-N	328.199	2.168	0	30	EEAC	
O=C(O)CCOCCOCCNC(=O)O[C@@H]1CC/C=C/CCC1	2265352350	QSADMTUKGBWTTN-VSZDKKFSSA-N	329.393	2.109	0	30	EEAC	
C[C@]12C[C@H](O[N+](=O)[O-])[C@]3(O)c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O	6067997	QKNRTYSNSQAVCD-IAVJCBSLSA-N	347.367	2.108	0	30	EEAC	
COC(=O)c1[nH]c(C(=O)OC)c(Br)c1Br	37624196	NFAUQKWYXQETPA-UHFFFAOYSA-N	340.955	2.113	0	30	EEAC	
Cc1ccc(CS(=O)(=O)C[C@H](O)COc2ccc(F)cc2)cc1	74366	DKTHGFAGZMBCBE-MRXNPFEDSA-N	338.400	2.489	0	30	EEAC	
Cc1ccccc1-n1c(=O)n(Cc2cccs2)c(=O)c2[nH]cnc21	8559677	LAKMUAOMXHIOEY-UHFFFAOYSA-N	338.392	2.294	0	30	EEAC	
CCOC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	145467161	BEZXGSZPWXRHIN-MRXNPFEDSA-N	342.351	2.499	0	30	EEAC	
CCOC(=O)C=C1SCC(=O)N1CC(=O)Nc1ccc(C)cc1C	3285875	QLFUBAFHHWSMQM-UHFFFAOYSA-N	348.424	2.222	0	30	EEAC	
CSC[C@H](O)Cn1nc(O)c2cc(Cl)c(Cl)cc2c1=O	13659168	BVEYMVRXRNMYHP-ZCFIWIBFSA-N	335.212	2.133	0	30	EEAC	
N=C(N)c1ccc(OCCCCOc2ccc(C(=N)N)cc2)cc1	3785147	KXHZWUUTWSKONE-UHFFFAOYSA-N	326.400	2.493	0	30	EEAC	
Cc1nn(C)c2c1-c1cncn1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O2	1616057415	KZNHBLFUIOHZTG-STQMWFEESA-N	345.403	2.145	0	30	EEAC	
Cc1ccc(S(=O)(=O)Cc2csc(N3CCOCC3)n2)cc1	109691	PZLFITBYMPDLCF-UHFFFAOYSA-N	338.454	2.262	0	30	EEAC	
COc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(C)CC[C@@]351)OCCO4	148409831	MWBQUTDEFNFIAI-RAKLQZGLSA-N	343.423	2.107	0	30	EEAC	
COc1c2occc2c(OC[C@H](O)C(C)(C)O)c2ccc(=O)oc12	14558089	MKDVKEKAKJODGJ-NSHDSACASA-N	334.324	2.058	0	30	EEAC	biogenic,in-vitro
O=C1c2ccccc2C(=O)N1CCN1CCN(Cc2ccccc2)CC1	19924977	SXMJMJOAPQVHCP-UHFFFAOYSA-N	349.434	2.100	0	30	EEAC	
CCNS(=O)(=O)c1ccc(Cl)cc1I	173147	HMRHKPCGWBSIPQ-UHFFFAOYSA-N	345.589	2.243	0	30	EEAC	
S=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1C[C@H]2CC[C@H]1C2	102933084	FJRHPVVQAWERQO-SNIKSBKOSA-N	338.546	2.207	0	30	EEAC	
O=S(=O)(c1cc(Br)c(Cl)s1)N1CCOCC1	110847	LGEVTRMOGBKRSZ-UHFFFAOYSA-N	346.655	2.185	0	30	EEAC	
COc1ccc2c(c1O)-c1c(O)c(CCN(C)C)cc(OC)c1C2=O	96085368	NDCDKMMCPZJBEB-UHFFFAOYSA-N	343.379	2.431	0	30	EEAC	in-vitro
COc1ccc(OC[C@@H](O)CNC(=S)Nc2ccccc2)cc1	151349	MLIXAILFPLKUOI-AWEZNQCLSA-N	332.425	2.422	0	30	EEAC	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](F)[C@@H]1C(=O)OCc1ccccc1	694890132	XKVMYQMEYRBQHW-MELADBBJSA-N	339.363	2.048	0	30	EEAC	
CC(C)(O)C(C)(C)OB(O)c1cn(C2CC2)nc1-c1ccc(F)cc1	2265362222	KHWYVIHDLYDEAL-UHFFFAOYSA-N	346.211	2.278	0	30	EEAC	
COc1c2occc2c(OC[C@@H](O)C(C)(C)O)c2ccc(=O)oc12	14558086	MKDVKEKAKJODGJ-LLVKDONJSA-N	334.324	2.058	0	30	EEAC	biogenic
CCN1C(=O)C(C#N)=C(C)/C(=N/Nc2ccc(F)c(Cl)c2)C1=O	223759525	LABCHWKLRBHBMV-MOSHPQCFSA-N	334.738	2.476	0	30	EEAC	
CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(C)C	4324265	QRTGGXJEFJYBDC-LBPRGKRZSA-N	337.800	2.345	0	30	EEAC	
Nc1ccccc1S[C@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O	20223473	RFYJEIROPDJYAE-AWEZNQCLSA-N	342.376	2.391	0	30	EEAC	
CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3c(O)cccc13)C2	100017456	AJEBHUMZPBDLQF-STQMWFEESA-N	328.416	2.024	0	30	EEAC	world
CC(C)(C)OC(=O)N1CCCC[C@H]1B(O)OC(C)(C)C(C)(C)O	2265362070	ALRTYHVHAQVEGM-LBPRGKRZSA-N	329.246	2.362	0	30	EEAC	
CN(CC(=O)OC(C)(C)C)C[C@H]1CN(Cc2ccccc2)CCO1	216715009	MNXVMEOAMRZLSE-KRWDZBQOSA-N	334.460	2.161	0	30	EEAC	
O=C(O)c1ccc(-c2c[nH]c(=NCc3ccco3)n3cnnc23)cc1	1857524126	MTAJESLOWNUVMU-UHFFFAOYSA-N	335.323	2.117	0	30	EEAC	
COc1cc(OC)c(C(F)(F)F)cc1NCN1C(=O)CCC1=O	138625	FYGYKEOAAXKUFL-UHFFFAOYSA-N	332.278	2.241	0	30	EEAC	
CC(=O)NCc1cc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1	98095339	HKAXSJWLOPIVNM-OAHLLOKOSA-N	335.404	2.106	0	30	EEAC	
COC(=O)[C@@H]1ON(C)[C@H]2c3cc(Br)ccc3CC[C@H]12	209902665	GHFSSFASUIHPJY-CYZMBNFOSA-N	326.190	2.471	0	30	EEAC	
CON=CCc1oc(=O)c(NC(=O)c2ccccc2)cc1C(C)=O	4013339	QNXCTLQMEREIIY-UHFFFAOYSA-N	328.324	2.269	0	30	EEAC	
COC(=O)c1ccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)[nH]1	378910533	SBQRNFQSAHUJMK-UHFFFAOYSA-N	337.420	2.290	0	30	EEAC	
COc1cccc([C@H](C(=O)O)N2CC(NC(=O)OC(C)(C)C)C2)c1	299803512	VKUGHSHEXMYCFZ-CQSZACIVSA-N	336.388	2.030	0	30	EEAC	
CCOC(=O)c1sc(S(C)(=O)=O)c2c1CCc1cnoc1-2	12367146	YUYPMPWUNJYZKR-UHFFFAOYSA-N	327.383	2.082	0	30	EEAC	
CC(C)Nc1nccc(-c2c(I)cnn2C)n1	953000343	VPBVDJBGLPUFPH-UHFFFAOYSA-N	343.172	2.302	0	30	EEAC	
Cc1ccc(S(=O)(=O)CC(=O)c2ccc3c(c2)OCCO3)cc1	4389244	BKPQMVPBWSGSLE-UHFFFAOYSA-N	332.377	2.423	0	30	EEAC	
CN(C)c1ccc(C=C2C(=O)NCC(=O)N2Cc2ccccc2)cc1	8654435	PKYCLKROCJHITC-UHFFFAOYSA-N	335.407	2.252	0	30	EEAC	
CC(C)(C)OC(=O)N1CCN(c2cnc(Br)cn2)CC1	95775359	BOSDHRPQGUJQLK-UHFFFAOYSA-N	343.225	2.296	0	30	EEAC	
CCOC(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)C(=O)OCC	1601016	ANABDCWEIYRPSO-UHFFFAOYSA-N	338.356	2.222	0	30	EEAC	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=S)NCC(=O)O	200544128	WJPBDKIXNHIGPN-LBPRGKRZSA-N	338.429	2.124	0	30	EEAC	
CCOC(=O)[C@@H]1[C@H]2C[C@@H]([C@H]3OC(C)(C)O[C@@H]23)N1C(=O)OC(C)(C)C	100130544	UXPXZPVCUAQSIL-QNWJLWSRSA-N	341.404	2.077	0	30	EEAC	
CC(C)(C)NC[C@@H](O)COc1c(C(=O)O)sc2c1CCCC2	33889427	NUTVUGLLDHQDQW-SNVBAGLBSA-N	327.446	2.453	0	30	EEAC	
COCCCNC(=S)NNC(=S)Nc1cccc(SC)c1	3161860	NTALXZXWEBCIDA-UHFFFAOYSA-N	344.531	2.111	0	30	EEAC	
CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)c3ccccc3)CC2)C1	96331661	HMLGUHMEAMBSPE-UHFFFAOYSA-N	345.443	2.064	0	30	EEAC	
CCS(=O)(=O)N1CCC(Oc2ncccc2Br)CC1	96097006	XDTWDWATCHPSLS-UHFFFAOYSA-N	349.250	2.037	0	30	EEAC	
Cc1noc(C)c1C(=O)N1CCN(CCOc2ccccc2)CC1	19924750	AZKSEEGUUKEQES-UHFFFAOYSA-N	329.400	2.128	0	30	EEAC	
O=C1c2ccccc2[C@H]2N1CCCN2S(=O)(=O)c1ccccc1	145879	OHUBOQSIAJHGLE-INIZCTEOSA-N	328.393	2.236	0	30	EEAC	
CC(C)(C)OC(=O)N1CC2(CO)CC(C(=O)OC(C)(C)C)(C1)C2	2265384765	VQKRUGGWIZTXKG-UHFFFAOYSA-N	327.421	2.338	0	30	EEAC	
NS(=O)(=O)c1cccc(NC(=O)c2c(F)cccc2Cl)c1	4325127	BOWJFMJPOQSSQP-UHFFFAOYSA-N	328.752	2.379	0	30	EEAC	
CCOC(=O)c1c(C)nn(-c2ccc(N3C(=O)CCC3=O)cc2)c1C	110005	ZWLAZXYHZFJSOR-UHFFFAOYSA-N	341.367	2.319	0	30	EEAC	
N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2cncc(Br)c2n1	638364304	GBSOMJCBMOEANP-VXGBXAGGSA-N	349.232	2.392	0	30	EEAC	
CCOC(=O)c1cn(C(=O)CCSc2ccc(OC)cc2)nc1N	153069	WXKBVUWONNQSQC-UHFFFAOYSA-N	349.412	2.473	0	30	EEAC	
Cn1nc(N)nc1NCCCOc1cccc(CN2CCCCC2)c1	1532376	NRIGRKAXOLMTSK-UHFFFAOYSA-N	344.463	2.264	0	30	EEAC	biogenic,in-man
Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)OC3)cc1	146820	ZBTZPGZHMHBJSN-UHFFFAOYSA-N	346.364	2.176	0	30	EEAC	
O[C@H](c1ccccc1Cl)[C@](O)(Cn1cncn1)C1(Cl)CC1	212628432	JOFJRMIXOWNPNA-TZMCWYRMSA-N	328.199	2.168	0	30	EEAC	
O=C1[C@@H]2[C@@H](ON3CCCC[C@H]23)C(=O)N1c1cccc(C(F)(F)F)c1	254477764	QUGMFEZLVDFSEJ-FRRDWIJNSA-N	340.301	2.363	0	30	EEAC	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)CCC1=O	146800552	MXQAWFWVCSPTCP-CQSZACIVSA-N	348.399	2.491	0	30	EEAC	
O=C(O)C[C@@H](CC(=O)NC[C@H](O)c1ccccc1)c1ccccc1	4325225	QEVBFDMCNMNBMJ-SJORKVTESA-N	327.380	2.485	0	30	EEAC	
CCOC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ncccc12	59314556	NOORLTYZJWDROA-UHFFFAOYSA-N	330.365	2.450	0	30	EEAC	
O=C(NCc1cccc2c1OCCO2)c1cccc2nsnc12	12340953	WZVKIFSYFVJPBV-UHFFFAOYSA-N	327.365	2.393	0	30	EEAC	
Cc1ccccc1-n1c(=O)n(CCc2ccccc2)c(=O)c2[nH]cnc21	171116	FJEMTNAXGWMARF-UHFFFAOYSA-N	346.390	2.427	0	30	EEAC	
O=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)CN1CC1CC1	70054	WCBMRBDBZQEBAO-UHFFFAOYSA-N	328.290	2.170	0	30	EEAC	
Cc1ccc(C(=O)NC(=O)NC[C@@H]2COc3ccccc3O2)cc1	169103	XDZNHHJTCOGBIS-CQSZACIVSA-N	326.352	2.274	0	30	EEAC	
CCOC(=O)c1cn(Cc2ccc(F)cc2)c2cc(C)nn2c1=O	169725	QOXIDPMKEVAVQI-UHFFFAOYSA-N	329.331	2.169	0	30	EEAC	
NC[C@@H]1COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21	1535646188	OSYHGIYCMJWGDK-BFUOFWGJSA-N	338.407	2.499	0	30	EEAC	
Cc1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)ccc2c1[C@H](O)C[C@H](C)C2	60314999	KYDBWGRCKWMGOO-JYCRJHSMSA-N	334.412	2.211	0	30	EEAC	
COc1ccc(C=C2C(=O)NCC(=O)N2Cc2ccc(F)cc2)cc1	33336755	WFEVKUBCEXBTSR-UHFFFAOYSA-N	340.354	2.334	0	30	EEAC	
CCOC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)C(C)C	4324264	CTZQKNKHNLFSEO-ZDUSSCGKSA-N	349.836	2.215	0	30	EEAC	
Cc1ccc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)cc1	26911444	MPTVHCGSXKXNEI-UHFFFAOYSA-N	333.432	2.486	0	30	EEAC	
O=C(O)/C=C/C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1	117374	GJQAEJLFLFJCSE-AATRIKPKSA-N	325.246	2.470	0	30	EEAC	
C[C@@H]1CCNC[C@@H]1NC(=O)c1ccc2cncc(Br)c2n1	638176496	CQXZKOKNDKVJMD-RNCFNFMXSA-N	349.232	2.120	0	30	EEAC	
COC(OC)c1cc(=O)[nH]c(SCC(=O)c2ccc(C)cc2)n1	13469786	JALROYVAEJMVFF-UHFFFAOYSA-N	334.397	2.345	0	30	EEAC	
CC(C)(C)OC(=O)N[C@@H]1CCN(c2cnc(Br)cn2)C1	856729839	WTONPRYLPCKKIX-SECBINFHSA-N	343.225	2.343	0	30	EEAC	
Fc1c(I)ccnc1I	30677667	MWMLNPFOQAHWIZ-UHFFFAOYSA-N	348.884	2.430	0	30	EEAC	
CC(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C	575418594	VHOMSUGRAWOOOF-DTMQFJJTSA-N	346.423	2.122	0	30	EEAC	in-vitro
CC(C)(C)OC(=O)NCC(=O)Nc1cc(Br)ccn1	123726391	QAYQDBIQYRLEFH-UHFFFAOYSA-N	330.182	2.307	0	30	EEAC	
COC(=O)[C@H](N)Cc1cc(Br)cc(Br)c1	238800299	IMFZWTSNURHXNT-SECBINFHSA-N	337.011	2.254	0	30	EEAC	
O=C1NCCN1CCN1C(=O)c2ccccc2N[C@@H]1c1cccs1	155147	WSSRKCGESJUUEB-HNNXBMFYSA-N	342.424	2.340	0	30	EEAC	
O=C1SCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	126000	ZBVHUNKWZDRAHX-VIFPVBQESA-N	326.226	2.304	0	30	EEAC	
O=C(OCc1ccccc1)N1CC(S(=O)(=O)Nc2ccccc2)C1	95348262	ADERCSKVGXEMKK-UHFFFAOYSA-N	346.408	2.449	0	30	EEAC	
Cn1c(=O)c(-c2noc(-c3ccccc3)n2)cn(-c2ccccc2)c1=O	169979	WZKBEQBYQVWOQJ-UHFFFAOYSA-N	346.346	2.253	0	30	EEAC	
CC(=O)N1CCC[C@@H]1C(=O)NCc1ncc(C(F)(F)F)cc1Cl	1076145295	YYVCNIKDWYIXJS-GFCCVEGCSA-N	349.740	2.381	0	30	EEAC	
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSCC(=O)O	154952	PMJAWABHIRBJOY-UHFFFAOYSA-N	339.804	2.497	0	30	EEAC	
Cc1ccnc(NC(=O)C(=O)NC(=O)c2c(F)cccc2Cl)c1	4348016	OXYKFVFFFSWFSV-UHFFFAOYSA-N	335.722	2.078	0	30	EEAC	
COCCCNC(=S)NNC(=S)Nc1cccc(Cl)c1	13656689	HJIRQKVLQQRQDC-UHFFFAOYSA-N	332.882	2.042	0	30	EEAC	
O=C1NCCN1CCN1C(=O)c2ccccc2N[C@H]1c1cccs1	155148	WSSRKCGESJUUEB-OAHLLOKOSA-N	342.424	2.340	0	30	EEAC	
O=C(O)/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2O)cc1	72711	DCCRXDXCVIHICD-MDZDMXLPSA-N	326.308	2.224	0	30	EEAC	
O=C(O)c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1	150080	JWSXMNHEQMQNQC-UHFFFAOYSA-N	335.259	2.366	0	30	EEAC	
COc1cc([C@@H]2N[C@@H](C(=O)O)C(C)(C)S2)cc(OC)c1OC	4371006	LDHMPQFIYHHUPO-QWHCGFSZSA-N	327.402	2.279	0	30	EEAC	
O=C(O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1	299845117	NFSLUNNYNIQGSX-HAQNSBGRSA-N	326.356	2.296	0	30	EEAC	
O=C1[C@@H]2ON3CCCC[C@H]3[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1	229861482	QUGMFEZLVDFSEJ-YNEHKIRRSA-N	340.301	2.363	0	30	EEAC	
CCCCNS(=O)(=O)c1ccccc1I	2144141	OUOKZQWQCUUMGW-UHFFFAOYSA-N	339.198	2.370	0	30	EEAC	
CCCCC[C@@H]1CCCCC[C@H](O)C[C@H](O)[C@H](O)/C=C\C(=O)O1	90430732	LEEBEEPDVOWSDN-SFTMQPNZSA-N	328.449	2.472	0	30	EEAC	
Cc1ccc(NC(=O)C[C@H]2NCCN(Cc3ccccc3)C2=O)cc1	145210	GQEVKWYRTPBUFV-GOSISDBHSA-N	337.423	2.324	0	30	EEAC	
O=C1C[C@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@H]46	29221957	QMGVPVSNSZLJIA-NFIAEPFYSA-N	334.419	2.093	0	30	EEAC	in-vitro
COc1ccc(NC(=S)NC(=O)c2ccc3nonc3c2)cc1	171113	ATJBZJMPIICNIJ-UHFFFAOYSA-N	328.353	2.358	0	30	EEAC	
CCOC(=O)[C@](CC)(C(=O)NCCN(CC)CC)c1ccccc1	2037736	RMQKPRRJSKFBRU-IBGZPJMESA-N	334.460	2.356	0	30	EEAC	biogenic,in-man
O=C1CCC(=O)N1c1ccc(S(=O)(=O)Oc2ccc(F)cc2)cc1	2153824	WFMRAKYSHIHITR-UHFFFAOYSA-N	349.339	2.247	0	30	EEAC	
C[C@H](CCN1CCOCC1)OC(=O)C1(c2ccccc2)CCOCC1	30691524	RDEOYUSTRWNWLX-QGZVFWFLSA-N	347.455	2.389	0	30	EEAC	in-man
CC(=O)Oc1c(I)c(=O)n(C)c2ccccc12	163233	SOWFPFAMTJRICO-UHFFFAOYSA-N	343.120	2.068	0	30	EEAC	
CC(C)C[C@H](N)C(=O)OCCCCCCOC(=O)[C@@H](N)CC(C)C	44137709	WYDFGSUMQGKALG-HOTGVXAUSA-N	344.496	2.380	0	30	EEAC	
CCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O	60007405	ZTYPCHKEXUPZEJ-UHFFFAOYSA-N	344.496	2.402	0	30	EEAC	
CC(C)(C)OC(=O)N1CCCN(C(=O)c2cnc(Cl)nc2)CC1	381102549	ZUYISFKVUNYHRH-UHFFFAOYSA-N	340.811	2.213	0	30	EEAC	
C[C@@H]1[C@H](O)C=C2CCCC[C@@H]2[C@@H]1CC[C@H](O)C[C@H](O)CC(=O)O	96326994	XURYLQWHJLNCFX-MCBDXXDLSA-N	326.433	2.097	0	30	EEAC	
CCNC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	90120	CKAQRJNEMVZQPD-UHFFFAOYSA-N	340.430	2.090	0	30	EEAC	
O=C(OC[C@@H]1CCCO1)c1ccccc1C(=O)OC[C@@H]1CCCO1	6095218	FVNABQUYTVWAOS-KBPBESRZSA-N	334.368	2.358	0	30	EEAC	
NC(=O)c1ccccc1OCCCN1CCN(c2ccccc2)CC1	4360843	GBSHKERFECNDBW-UHFFFAOYSA-N	339.439	2.377	0	30	EEAC	
CC(C)(C)OC(=O)N1CCNCCN(C(=O)OC(C)(C)C)CC1	113186963	KVRCCPSVLYCERO-UHFFFAOYSA-N	329.441	2.064	0	30	EEAC	
O[C@@H](c1nc2cc(F)ccc2[nH]1)[C@@H](O)c1nc2ccc(F)cc2[nH]1	15924031	GATVUWZGDBORAV-ZIAGYGMSSA-N	330.294	2.484	0	30	EEAC	
Cc1ccc(CNc2ccc(B(O)OC(C)(C)C(C)(C)O)cn2)cc1	263584073	JHPMTPGGTQXCBM-UHFFFAOYSA-N	342.248	2.256	0	30	EEAC	
CC(C)CCCCCCCOC(=O)[C@H](CC(=O)O)S(=O)(=O)O	34065023	PWTDXSJCVGCUJD-LBPRGKRZSA-N	338.422	2.257	0	30	EEAC	
CN1CCN(CCC(=O)Nc2cc(-c3ccccc3)ns2)CC1	223710013	YHHOGZDGWYXVHR-UHFFFAOYSA-N	330.457	2.386	0	30	EEAC	
O=C1[C@H]2[C@@H]3CCCCN3O[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1	136702558	QUGMFEZLVDFSEJ-RWMBFGLXSA-N	340.301	2.363	0	30	EEAC	
CC(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)c3ccccc3)cc21	33605186	SXUXQJLILGMLOR-UHFFFAOYSA-N	343.408	2.436	0	30	EEAC	in-vitro
COc1ccc(C(=O)Nc2cccnc2N2CCOCC2)cc1OC	19834856	HFBORLRFADWZHM-UHFFFAOYSA-N	343.383	2.188	0	30	EEAC	
O=C(Cc1ccccc1)NC[P@@](=O)(O)Oc1cccc(C(=O)O)c1	6096093	PQNMYMXNEUQFAJ-UHFFFAOYSA-N	349.279	2.265	0	30	EEAC	biogenic,in-vitro
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2C)cc1	5319845	ZGLBUWNETZENKI-GVDBMIGSSA-N	338.363	2.172	0	30	EEAC	
COC(=O)[C@@]12CCC3(CCN(C(=O)OC(C)(C)C)CC3)[C@@H]1CNC2	1565504639	NQMYJHQRIHZGRH-SCLBCKFNSA-N	338.448	2.176	0	30	EEAC	
CCOC(=O)c1c(C)nn(-c2ccc(N3C(=O)C=CC3=O)cc2)c1C	109974	FVONBJYSOLQNKQ-UHFFFAOYSA-N	339.351	2.095	0	30	EEAC	
COc1ccc2sc(C(=O)Nc3nn[nH]n3)c(OC(C)C)c2c1	5760952	TVVXHFWWAYXBNC-UHFFFAOYSA-N	333.373	2.463	0	30	EEAC	biogenic,investigational
Cc1cc(NC(=O)C(=O)NC(=O)c2c(Cl)cccc2Cl)no1	4382832	SYMJGWDWIHQMNL-UHFFFAOYSA-N	342.138	2.185	0	30	EEAC	
CC(C)(C)OC(=O)N1CC[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1	953102792	PPIJXWOOHZITFE-HZPDHXFCSA-N	346.427	2.423	0	30	EEAC	
O=C(O)C1(NS(=O)(=O)c2ccccc2Br)CCCC1	36947353	YHZFECZKTJMCTA-UHFFFAOYSA-N	348.218	2.125	0	30	EEAC	
Cc1cc(OP(=O)(O)O)c2ccccc2c1OP(=O)(O)O	1542933	JTNHOVZOOVVGHI-UHFFFAOYSA-N	334.157	2.091	0	30	EEAC	endogenous,world
Brc1nn2c(I)cnc2s1	85352160	MQVHKBWFJUMWBG-UHFFFAOYSA-N	329.948	2.158	0	30	EEAC	in-vitro
Cc1ccc(S(=O)(=O)CCS(=O)(=O)c2cccs2)cc1	124702	FLDUBXUMPCYDIT-UHFFFAOYSA-N	330.452	2.304	0	30	EEAC	
COC(=O)C(=Cc1c(C)cc(C(N)=O)cc1C)NC(=O)OC(C)(C)C	2265369585	JTRKHURHLHATAD-UHFFFAOYSA-N	348.399	2.441	0	30	EEAC	
Cc1ccccc1OC[C@H](O)COC(=O)COc1ccccc1O	2017875	GQMHTLIBJICFID-AWEZNQCLSA-N	332.352	2.063	0	30	EEAC	
CCS(=O)(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1	171621	PKILJLBAEIAUAF-UHFFFAOYSA-N	339.848	2.360	0	30	EEAC	
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C2(CCC3(CC2)OCCO3)C1	757185730	RTQKRWCYVSKQFH-GFCCVEGCSA-N	341.404	2.241	0	30	EEAC	
CC(C)(C)OC(=O)N1CC[C@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1	953102794	PPIJXWOOHZITFE-JKSUJKDBSA-N	346.427	2.423	0	30	EEAC	
CCOC(=O)CSc1nc(=O)c(Cc2ccc(Cl)cc2)n[nH]1	5176273	DXHYTXAVYQCBMT-UHFFFAOYSA-N	339.804	2.064	0	30	EEAC	
Nc1ccccc1S[C@@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O	101710	RFYJEIROPDJYAE-CQSZACIVSA-N	342.376	2.391	0	30	EEAC	
COc1ccccc1[C@@H](C(=O)O)N1CC(NC(=O)OC(C)(C)C)C1	2546285	QLYKJGOZWKMGTJ-AWEZNQCLSA-N	336.388	2.030	0	30	EEAC	
S=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)N[C@H]1C[C@H]2CC[C@H]1C2	102933087	FJRHPVVQAWERQO-LQSBQDLSSA-N	338.546	2.207	0	30	EEAC	
COc1ccccc1NC(=O)CSCc1cnc(C)c(O)c1CO	94351	QBEASNVSQQSJOY-UHFFFAOYSA-N	348.424	2.468	0	30	EEAC	
FC(F)(F)c1ccnc(NCCNC(=S)NCc2ccco2)n1	3467462	SPTIEOFVRURMTR-UHFFFAOYSA-N	345.350	2.165	0	30	EEAC	
NS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1	155316	DVBQKIXPCUHDDT-UHFFFAOYSA-N	328.752	2.379	0	30	EEAC	
COC(=O)[C@H](Cc1ccccc1)N[C@H](C(=O)NC(C)(C)C)C(C)C	45235643	RJZKFVCWUWSSRH-HOTGVXAUSA-N	334.460	2.300	0	30	EEAC	
COc1ccc2c3c1O[C@H]1C4(CC[C@@H](C=C2)[C@@]31CCO)OCCO4	2265352154	SWWHPKUHXWJQLB-XWIAVFTESA-N	330.380	2.256	0	30	EEAC	
CC(=O)NCc1cc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1	98095340	HKAXSJWLOPIVNM-HNNXBMFYSA-N	335.404	2.106	0	30	EEAC	
O=C(Nc1cccnc1N1CCOCC1)c1cccc2nsnc12	20432235	PQOVTSFKCJPCQO-UHFFFAOYSA-N	341.396	2.175	0	30	EEAC	
CC(C)(O)C(C)(C)OB(O)c1cc2cccc(Br)c2[nH]1	200312778	UYFZMNOZCRPFSE-UHFFFAOYSA-N	340.026	2.184	0	30	EEAC	
Cn1c(C(F)(F)F)cc(=O)n(-c2cc(O)c(Cl)cc2F)c1=O	34432994	MCGXGTQNPFLTOY-UHFFFAOYSA-N	338.644	2.053	0	30	EEAC	
O=c1cc(CSc2n[nH]c(=O)n2C2CC2)c2ccc(O)cc2o1	8503834	UUYLCJVCGWDBSV-UHFFFAOYSA-N	331.353	2.011	0	30	EEAC	
CSc1nsc(SC)c1C(=O)NC(=O)N1CCSCC1	2147834	WKSTWHWRSKANSN-UHFFFAOYSA-N	349.528	2.486	0	30	EEAC	
COC(=O)CSCC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	254706793	AOZGDKSSIPBKTO-UHFFFAOYSA-N	342.333	2.197	0	30	EEAC	
O=C(O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12	669371707	RZEHDKRVTCFABY-UHFFFAOYSA-N	342.380	2.288	0	30	EEAC	
CC(C)CNCC(=O)Nc1ccccc1NC(=O)CNCC(C)C	95862387	SEYVARBHYFRASX-UHFFFAOYSA-N	334.464	2.055	0	30	EEAC	
CN(CC(=O)OC(C)(C)C)C[C@@H]1CN(Cc2ccccc2)CCO1	216714960	MNXVMEOAMRZLSE-QGZVFWFLSA-N	334.460	2.161	0	30	EEAC	
CN(C)c1c(F)cc(C(=O)NC(=O)NCc2cccnc2)cc1F	107852	BAQAIZDSTKHCIK-UHFFFAOYSA-N	334.326	2.065	0	30	EEAC	
COc1ccc(COC[C@H](O)CNC2Cc3ccccc3C2)cc1	119008	WITROFSVMWRSFR-LJQANCHMSA-N	327.424	2.330	0	30	EEAC	
O=C(CSCCS(=O)(=O)c1ccc(Cl)cc1)N1CCCC1	3083016	RTCDOIYQZZWJCS-UHFFFAOYSA-N	347.889	2.469	0	30	EEAC	
COC[C@H]1CN(c2ccc(OCC[C@@H](O)C(F)(F)F)cc2)C(=O)O1	3776953	IALVDLPLCLFBCF-CHWSQXEVSA-N	349.305	2.350	0	30	EEAC	investigational
CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)O)c2C(F)F)C1	521398756	AIUCLDIYFSSSMS-SSDOTTSWSA-N	332.307	2.096	0	30	EEAC	
CCOC(=O)c1cncnc1[C@H]1CN(Cc2ccccc2)CCO1	503852090	QITANMJLLFQVIH-MRXNPFEDSA-N	327.384	2.227	0	30	EEAC	
CC[C@H](C)[C@@H]1C=C([C@H](O)C[C@H](O)[C@H](O)C(=O)O)[C@H]([C@H](C)CC)C1	257532153	RKOUCPMGBBKLNK-DIQVCCITSA-N	328.449	2.199	0	30	EEAC	endogenous,in-man
CC(C)(C)OC(=O)N[C@H]1CCN(c2cnc(Br)cn2)C1	856729840	WTONPRYLPCKKIX-VIFPVBQESA-N	343.225	2.343	0	30	EEAC	
CC(=O)Nc1ccc(S(=O)(=O)NC2Cc3ccccc3C2)cc1	171422	AKKMZKRAAWVLCQ-UHFFFAOYSA-N	330.409	2.091	0	30	EEAC	
COCCCNC(=S)NNC(=S)Nc1cccc(Cl)c1C	3161861	RNCWKBSJXLPVRT-UHFFFAOYSA-N	346.909	2.350	0	30	EEAC	
CC(=O)N1CC(=O)N(Cc2ccccc2)C(=Cc2ccccc2)C1=O	1389693	QVGCNAHPWNBCFS-UHFFFAOYSA-N	334.375	2.445	0	30	EEAC	
O=C(O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(F)c1	106795034	KFUBMMVGLUPUDS-OAHLLOKOSA-N	335.356	2.026	0	30	EEAC	
CN1[C@H]2CC[C@H]1CC(OC(=O)c1nn3c4c(cccc14)OCC3)C2	100134655	ISFAAOFLLGRNLF-RYUDHWBXSA-N	327.384	2.211	0	30	EEAC	
FC(F)(F)c1ccnc(NCCNC(=S)Nc2cccnc2)n1	4299509	LISLXMGCLSBLLL-UHFFFAOYSA-N	342.350	2.289	0	30	EEAC	
CC1=CC[C@@H]2C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@@H]2C1	118293	QEHYBGJQNDYOAE-DLBZAZTESA-N	326.396	2.369	0	30	EEAC	
Fc1cc(I)cc(F)c1[C@@H]1COCCN1	238602782	SGTQHOWINJPKKG-VIFPVBQESA-N	325.096	2.230	0	30	EEAC	
CS(=O)(=O)c1csc(C(=O)NCc2cccnc2)c1Cl	96307	KONJTGKIUDGXFF-UHFFFAOYSA-N	330.818	2.130	0	30	EEAC	
O=C1CSC(CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)=N1	124328	ITGMPYDESVQLPI-UHFFFAOYSA-N	337.344	2.292	0	30	EEAC	
COc1ccc2cc(O)c(C(=O)NCCCN3CCOCC3)cc2c1	31308734	LVWUUYNJAWJGTF-UHFFFAOYSA-N	344.411	2.006	0	30	EEAC	
CS(=O)(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1	127240	MOCLJIKMPCJBAO-UHFFFAOYSA-N	331.850	2.031	0	30	EEAC	
c1ccc(CN2CC(c3nnn[nH]3)CN(Cc3ccccc3)C2)cc1	19324349	MNZBSPSTEBTWGW-UHFFFAOYSA-N	334.427	2.259	0	30	EEAC	
O[C@]1(CN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CCNC1	72435066	DALDQPZVAQTDOK-MRXNPFEDSA-N	344.377	2.273	0	30	EEAC	
C[C@@H]1CCNC[C@H]1NC(=O)c1ccc2cncc(Br)c2n1	638176495	CQXZKOKNDKVJMD-NOZJJQNGSA-N	349.232	2.120	0	30	EEAC	
OCCN1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1	20443890	FEZXFBBKVKXGCH-UHFFFAOYSA-N	325.334	2.368	0	30	EEAC	
Cc1oc(I)nc1I	2265384744	SSZSYORYVWGZHK-UHFFFAOYSA-N	334.882	2.192	0	30	EEAC	
CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(Cl)cc1	81887	NVLNVCYTMMSSDO-UHFFFAOYSA-N	343.792	2.051	0	30	EEAC	
CCOC(=O)[C@@](CC)(C(=O)NCCN(CC)CC)c1ccccc1	2037735	RMQKPRRJSKFBRU-LJQANCHMSA-N	334.460	2.356	0	30	EEAC	biogenic,in-man
N[C@@]1(CO)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	14808456	XESJENMGMSHOCY-FQEVSTJZSA-N	338.407	2.331	0	30	EEAC	
O=C(O)COCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	154806	FQEGGHVKPWIXNR-UHFFFAOYSA-N	328.296	2.128	0	30	EEAC	
CCOC(=O)C=C1SCC(=O)N1CC(=O)Nc1cccc(C)c1C	3319716	FMNGQHWHEQOCRD-UHFFFAOYSA-N	348.424	2.222	0	30	EEAC	
Cc1cc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(C)c1Cl	159303	ONJWHKZFEAHZDB-UHFFFAOYSA-N	348.790	2.033	0	30	EEAC	
O=C(Nc1ccc([N+](=O)[O-])c(C(=O)O)c1)c1ccc(O)c([N+](=O)[O-])c1	33608589	KARHQWSVPLKNBE-UHFFFAOYSA-N	347.239	2.159	0	30	EEAC	
CC(=O)Nc1ccc(O[C@H](NCCc2ccc(O)cc2)[C@H](C)O)cc1	223693367	QMNMCZAKYPDCBP-DJJJIMSYSA-N	344.411	2.269	0	30	EEAC	
CCn1c(O)nc2ccccc2c1=NS(=O)(=O)c1ccc(C)cc1	4003098	SFRHRSQIBWZNFK-UHFFFAOYSA-N	343.408	2.360	0	30	EEAC	
O=C(c1n[nH]c2ccccc12)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2	888088700	MNQQJAFIAHJSRA-HEHGZKQESA-N	338.411	2.036	0	30	EEAC	
COc1ccccc1NC(=S)NNC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2	100242758	UFFXZZUISZYGBK-GVXVVHGQSA-N	348.497	2.325	0	30	EEAC	
O=S(=O)(NCCSCc1ccco1)c1cccc2nonc12	4364781	PPRABPXUOQEJOX-UHFFFAOYSA-N	339.398	2.028	0	30	EEAC	
COc1cc(O)c(C(=O)c2ccc(F)cc2)cc1S(=O)(=O)O	33608237	JQQGRPUCPLTRPG-UHFFFAOYSA-N	326.301	2.018	0	30	EEAC	
CCCCN1C(=O)C(CC(C)C)C(=O)N(CCCC)S1(=O)=O	38635505	KILVSSSYOSIDBU-UHFFFAOYSA-N	332.466	2.165	0	30	EEAC	
O=C1c2ccccc2S(=O)(=O)N1Cc1ccc2nsnc2c1	156976	YPBGVBDEGYFOIX-UHFFFAOYSA-N	331.378	2.036	0	30	EEAC	
O=C(NCCCS(=O)(=O)Cc1ccccc1)OCC(F)(F)F	71790912	PWUAXEBXTLRCAJ-UHFFFAOYSA-N	339.335	2.280	0	30	EEAC	in-vitro
O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccccc1	59595142	NJHGBSAICIYFRC-UHFFFAOYSA-N	344.436	2.169	0	30	EEAC	
CCCc1cnc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc1	147003	SWIMQUBMJGHZHJ-UHFFFAOYSA-N	340.427	2.400	0	30	EEAC	
O=C1c2ccccc2[C@@H]2N1CCCN2S(=O)(=O)c1ccccc1	145886	OHUBOQSIAJHGLE-MRXNPFEDSA-N	328.393	2.236	0	30	EEAC	
CNc1cc(S(=O)(=O)Nc2ccc(Cl)cc2N)ccc1O	223679464	GEKRXNMIKABQAV-UHFFFAOYSA-N	327.793	2.470	0	30	EEAC	
CC[C@H](C)[C@@H]1C[C@H]([C@@H](C)CC)C=C1[C@H](O)C[C@H](O)[C@H](O)C(=O)O	257532155	RKOUCPMGBBKLNK-UAKWQSKWSA-N	328.449	2.199	0	30	EEAC	endogenous,in-man
O=C(O)c1ncc(Br)cc1I	2265384561	STMMTUUHWUMHOO-UHFFFAOYSA-N	327.903	2.147	0	30	EEAC	
C[C@@H](CN1CCOCC1)C(C(N)=O)(c1ccccc1)c1ccccc1	32250650	NLPPXEVCOCNANN-KRWDZBQOSA-N	338.451	2.426	0	30	EEAC	in-vitro
COC(=O)c1sccc1NNS(=O)(=O)c1ccc(Cl)cc1	3149316	QBKHZCNFOZHAHB-UHFFFAOYSA-N	346.817	2.494	0	30	EEAC	
Cc1nnc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)s1	138235156	TZLDPMVLZYEUED-UHFFFAOYSA-N	346.258	2.310	0	30	EEAC	
O=C(NCC[C@@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21	229154584	BVYPRFGDGMVRDG-QGZVFWFLSA-N	341.363	2.361	0	30	EEAC	
COc1ccc(C[C@H](C)NC[C@H](O)c2ccc(O)c(CO)c2)cc1	5735278	VPMWDFRZSIMDKW-DJJJIMSYSA-N	331.412	2.147	0	30	EEAC	biogenic,in-man
Cc1ccccc1-n1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21	171079	QMQODBDFNQBURQ-UHFFFAOYSA-N	332.363	2.232	0	30	EEAC	
C[C@@H]1[C@H](O)C=C2CCCC[C@@H]2[C@@H]1CC[C@@H](O)C[C@H](O)CC(=O)O	263590102	XURYLQWHJLNCFX-DOVOEBSNSA-N	326.433	2.097	0	30	EEAC	
O=C(O)/C=C/C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1	66187	HVGSRPXIEWSJTL-AATRIKPKSA-N	325.246	2.470	0	30	EEAC	
NC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21	958742385	ZRQDDTFIELDJJB-LBPRGKRZSA-N	340.379	2.327	0	30	EEAC	
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(CO)c2)cc1	967940	VPMWDFRZSIMDKW-YJYMSZOUSA-N	331.412	2.147	0	30	EEAC	biogenic,in-man
CC(=O)Nc1ccc(C(=O)O)c(C(=O)c2ccc(N(C)C)cc2O)c1	2387111	WCNJYYOJSXOYND-UHFFFAOYSA-N	342.351	2.346	0	30	EEAC	in-vitro
CCCCC[C@H](O)[C@H](O)C[C@@H](O)[C@@H](O)CCCCCCCC(=O)O	14761464	VJOGZGLNDROOFS-MWDXBVQZSA-N	348.480	2.216	0	30	EEAC	biogenic
Cc1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)ccc2c1[C@H](O)C[C@@H](C)C2	60315001	KYDBWGRCKWMGOO-DVNASOSLSA-N	334.412	2.211	0	30	EEAC	
CCCc1cnc(N2CCN(c3ncc(CCC)cn3)CC2)nc1	147758	MEXJCBSCCGQRCI-UHFFFAOYSA-N	326.448	2.498	0	30	EEAC	
C[C@@H](CCN(CP(=O)(O)O)CP(=O)(O)O)CC(C)(C)C	38605125	MVVXUEVCZPXMKR-JTQLQIEISA-N	331.286	2.021	0	30	EEAC	
O=C1NCCN1CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1	153604	LUAWGLIKPCKEHB-QGZVFWFLSA-N	336.395	2.278	0	30	EEAC	
COc1ccc(C(=O)N2c3ccccc3C[C@H]2C(=O)O)cc1OC	238790476	HDFVRSRWBFZGSA-AWEZNQCLSA-N	327.336	2.360	0	30	EEAC	
CC(=O)Nc1nc(NC(C)=O)nc(-c2ccccc2C(F)(F)F)n1	90340	KMZIMYKPORVVCY-UHFFFAOYSA-N	339.277	2.474	0	30	EEAC	
CNC(=O)c1ccc(N(C)Cc2ccc3nc(C)[nH]c(=O)c3c2)s1	143989692	FDORQGSZKITIKM-UHFFFAOYSA-N	342.424	2.289	0	30	EEAC	
Cc1ccc(CS(=O)(=O)C[C@@H](O)COc2ccc(F)cc2)cc1	74371	DKTHGFAGZMBCBE-INIZCTEOSA-N	338.400	2.489	0	30	EEAC	
CCOC(=O)c1cn2nc(Oc3ccc(C(=O)OC)cc3)ccc2n1	158117	MCRSVLORAOBPPW-UHFFFAOYSA-N	341.323	2.485	0	30	EEAC	
Cc1ccc(S(=O)(=O)NC(=O)NC2Cc3ccccc3C2)cc1	171400	FQRIJWKXNNBVEY-UHFFFAOYSA-N	330.409	2.150	0	30	EEAC	
CCC1(CC)C(=O)NC(=O)N(CCc2cccc(OC)c2OC)C1=O	1844370	JZOAOAHNNJCXCR-UHFFFAOYSA-N	348.399	2.131	0	30	EEAC	
CC(C)(O)C(C)(C)OB(O)c1ccccc1CNCc1ccccc1	200333913	PZRPVHVMNNCBLG-UHFFFAOYSA-N	341.260	2.230	0	30	EEAC	
CCCCC[C@H](O)[C@H](O)C[C@@H](O)[C@H](O)CCCCCCCC(=O)O	257565702	VJOGZGLNDROOFS-YLFCFFPRSA-N	348.480	2.216	0	30	EEAC	
COC(=O)Cc1nc(NS(=O)(=O)c2cccc(C)c2)sc1C	119064	APBUCXJXVGGFJO-UHFFFAOYSA-N	340.426	2.276	0	30	EEAC	
Cc1cc(NC(NC(=O)N(C)C)(C(F)(F)F)C(F)(F)F)no1	1044130	ZMFKLKDPRVJRHC-UHFFFAOYSA-N	334.220	2.487	0	30	EEAC	
CCOC(=O)[C@H](C(=O)CCNC(=O)OC(C)(C)C)C(F)(F)F	725343469	UACUDCIDGBNMBQ-VIFPVBQESA-N	327.299	2.212	0	30	EEAC	
Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1S(=O)(=O)O	5161767	CPEZUIIUBRWBQF-UHFFFAOYSA-N	326.761	2.421	0	30	EEAC	
Cc1nc(N2CCOCC2)[nH]c(=O)c1Cc1c(F)cccc1Cl	18206670	FLGILDJWZMEOSS-UHFFFAOYSA-N	337.782	2.298	0	30	EEAC	
CCOC(=O)c1ccc(-n2nnc(/C=C/C=C/N3CCCC3)n2)cc1	63591259	NXQGHFGJMDAPDW-ZUAGWBGVSA-N	339.399	2.462	0	30	EEAC	
O=c1c2[nH]cnc2n(-c2ccc(F)cc2)c(=O)n1Cc1ccccc1	170900	XUYLORCYFTUOEI-UHFFFAOYSA-N	336.326	2.063	0	30	EEAC	
CCOC(=O)NC(=O)C(C#N)=NNc1cccc(C(F)(F)F)c1	254380342	ABFCYVFMVBTIJS-UHFFFAOYSA-N	328.250	2.270	0	30	EEAC	
CCCCCC[C@@H](CCC)OC(=O)[C@@H](CC(=O)O)S(=O)(=O)O	200085245	RVTGKSRKKCWQGW-VXGBXAGGSA-N	338.422	2.400	0	30	EEAC	
COc1ccccc1CC(=O)NCc1nn(-c2ccccc2)nc1C	1034886	GVLHFIKOUFDPMM-UHFFFAOYSA-N	336.395	2.443	0	30	EEAC	
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2C(=O)O)c1	147861	MCLJSACVAAMWLY-UHFFFAOYSA-N	349.364	2.136	0	30	EEAC	
O=c1c2[nH]cnc2n(-c2cccc(F)c2)c(=O)n1Cc1ccccc1	170901	RLEAWHKNQXGJMT-UHFFFAOYSA-N	336.326	2.063	0	30	EEAC	
CCN(CC)C(=O)C(=CNc1ncccn1)NC(=O)c1ccccc1	2265279324	UEQJAOJDZBCQEH-UHFFFAOYSA-N	339.399	2.028	0	30	EEAC	
O=C(NCc1cc(F)cc2c1OCOC2)c1ccc2nonc2c1	146964	XJVOMQJFZJICLL-UHFFFAOYSA-N	329.287	2.158	0	30	EEAC	
Cc1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)ccc2c1[C@@H](O)C[C@H](C)C2	60315000	KYDBWGRCKWMGOO-JLIIWXTDSA-N	334.412	2.211	0	30	EEAC	
COC(=O)c1ccc2c(c1)CC[C@]1(CCCN(CC3COC3)C1=O)C2	585164249	ZUJHPIIQUSCGCW-HXUWFJFHSA-N	343.423	2.217	0	30	EEAC	
CCOC(=O)c1ncn2c1[C@H]1CCCN1C(=O)c1cc(OC)ccc1-2	6160247	YKYOQIXTECBVBB-CQSZACIVSA-N	341.367	2.348	0	30	EEAC	in-vitro
CCn1c(=O)n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21	4620	MZRKHUUDDHJVHS-AGUYFDCRSA-N	328.416	2.006	0	30	EEAC	in-vitro
COc1ccc2c3c1O[C@H]1C4(CC[C@@H]5[C@@H](C2)N(C)CC[C@@]351)OCCO4	148409442	MWBQUTDEFNFIAI-OHHBCXFOSA-N	343.423	2.107	0	30	EEAC	
O=C1Cc2ccccc2N(C(=O)NS(=O)(=O)O)c2ccccc21	35645948	FAUUBMUNUJEFKW-UHFFFAOYSA-N	332.337	2.076	0	30	EEAC	in-vitro
CCOC(=O)NC(=O)C(=NNc1cccc(C(F)(F)F)c1)C(C)=O	254618766	BLLMAMUKQKYCAY-UHFFFAOYSA-N	345.277	2.335	0	30	EEAC	
COc1cccc([C@@H](C(=O)O)N2CC(NC(=O)OC(C)(C)C)C2)c1	2546284	VKUGHSHEXMYCFZ-AWEZNQCLSA-N	336.388	2.030	0	30	EEAC	
CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	3138362	AXPYSXTZHHBQBF-UHFFFAOYSA-N	338.389	2.315	0	30	EEAC	
O=C(Nc1cc(Br)cc2c1OCCNC2)C(F)(F)F	2265385730	KUAQNUWNSMIBBP-UHFFFAOYSA-N	339.111	2.432	0	30	EEAC	
CNC(=O)c1ccccc1[S@](=O)c1ccccc1COC(C)=O	173174	MPVKJHNMJWQTSH-QHCPKHFHSA-N	331.393	2.276	0	30	EEAC	
CC(C)(C)OC(=O)NC[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1	306679835	IZQMAASZBXIICH-MRXNPFEDSA-N	344.408	2.223	0	30	EEAC	
CCc1nc2c(OC)cccc2c(=O)n1NC(=O)Cc1ccccc1	39124371	HTLFQKNKFOOFHB-UHFFFAOYSA-N	337.379	2.280	0	30	EEAC	
COc1cccc([C@@]23C=CCC[C@H]2[C@@H](CO)N(C)C(=O)C3)c1OC	2265351670	GFFBYHYGEPCCBR-ZBQZNYHESA-N	331.412	2.131	0	30	EEAC	
C[C@H](CCN(CP(=O)(O)O)CP(=O)(O)O)CC(C)(C)C	38605128	MVVXUEVCZPXMKR-SNVBAGLBSA-N	331.286	2.021	0	30	EEAC	
CN1[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO[N+](=O)[O-])c1ccccc1)C2	113871751	NJWHLBFNOHWIKI-DZKIICNBSA-N	334.372	2.147	0	30	EEAC	
CCOC(=O)NC(=O)C(=NNc1ccc(C(F)(F)F)cc1)C(C)=O	254711830	UOSHAPLWJROMBT-UHFFFAOYSA-N	345.277	2.335	0	30	EEAC	
O[C@H](c1nc2cc(F)ccc2[nH]1)[C@H](O)c1nc2ccc(F)cc2[nH]1	15924033	GATVUWZGDBORAV-KBPBESRZSA-N	330.294	2.484	0	30	EEAC	
COC(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)CCO2	146212	FLFPGDBXRIDONF-UHFFFAOYSA-N	339.394	2.270	0	30	EEAC	
O=C1NCCN1CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1	153600	LUAWGLIKPCKEHB-KRWDZBQOSA-N	336.395	2.278	0	30	EEAC	
NC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21	958742384	ZRQDDTFIELDJJB-GFCCVEGCSA-N	340.379	2.327	0	30	EEAC	
O=C1CC2(CCCC2)C(=O)N1CCNc1nccc(C(F)(F)F)n1	66473	UOBJIDRFKKIZLY-UHFFFAOYSA-N	342.321	2.227	0	30	EEAC	
CC(C)(C)OC(=O)N1CCCC[C@@H]1B(O)OC(C)(C)C(C)(C)O	2265362069	ALRTYHVHAQVEGM-GFCCVEGCSA-N	329.246	2.362	0	30	EEAC	
O=c1c2nnn(Cc3ccccc3)c2ncn1Cc1ccc(F)cc1	154644	IVTRJMAYZXJVSH-UHFFFAOYSA-N	335.342	2.224	0	30	EEAC	
O=C(O)C[C@H](CC(=O)NC[C@H](O)c1ccccc1)c1ccccc1	4325224	QEVBFDMCNMNBMJ-IRXDYDNUSA-N	327.380	2.485	0	30	EEAC	
O[C@@H](CN1CCN(c2c(Cl)cncc2Cl)CC1)C(F)(F)F	20223648	NOYVNTMPAIAKNS-JTQLQIEISA-N	344.164	2.434	0	30	EEAC	
O=C(OCCn1ncc2ccccc2c1=O)c1ccc2c(c1)CCO2	146725	CHOGRNQCESXIKV-UHFFFAOYSA-N	336.347	2.188	0	30	EEAC	
O=C1SCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	126001	ZBVHUNKWZDRAHX-SECBINFHSA-N	326.226	2.304	0	30	EEAC	
CN(C(=O)c1cnc(Cl)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	192806425	PYCYVJWSDDYDBO-JTQLQIEISA-N	340.811	2.211	0	30	EEAC	
Cc1ccc(I)cc1Nc1ncnc(N)n1	89580	IJGPKTKFSYYAHA-UHFFFAOYSA-N	327.129	2.110	0	30	EEAC	
Cc1ccc(S(=O)(=O)NNc2nccc(C(F)(F)F)n2)cc1	117430	IYJYTOTVUMJCEF-UHFFFAOYSA-N	332.307	2.109	0	30	EEAC	
CCn1c(=O)c2[nH]c(/C=C/c3ccc(F)c(F)c3)nc2n(CC)c1=O	33984755	KGKNZGMWEOHGCX-SOFGYWHQSA-N	346.337	2.375	0	30	EEAC	
O=S(=O)(CCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1	20443781	QCGNVVDRHGUCQD-UHFFFAOYSA-N	348.443	2.422	0	30	EEAC	
O=C(NCc1ccccn1)NC(=O)c1ccc(-c2csnn2)cc1	106858	HFLADQVXAXRIEO-UHFFFAOYSA-N	339.380	2.240	0	30	EEAC	
COc1ccccc1NC(=S)NNC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2	100242756	UFFXZZUISZYGBK-GMXVVIOVSA-N	348.497	2.325	0	30	EEAC	
CCOC(=O)[C@@H](C(=O)CCNC(=O)OC(C)(C)C)C(F)(F)F	725343468	UACUDCIDGBNMBQ-SECBINFHSA-N	327.299	2.212	0	30	EEAC	
COc1ccc(OC[C@H](O)CNC(=S)Nc2ccccc2)cc1	151343	MLIXAILFPLKUOI-CQSZACIVSA-N	332.425	2.422	0	30	EEAC	
COc1ccc(OC)c(S(=O)(=O)NCc2ccc3c(c2)CCO3)c1	131685	JGVLIEIOMIJNKZ-UHFFFAOYSA-N	349.408	2.117	0	30	EEAC	
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)n1)C(=O)O	44298391	XUOUMYZZHGGTNH-VIFPVBQESA-N	345.193	2.365	0	30	EEAC	
Cc1ccc(Nc2nc(Cl)nc(Cl)n2)c(S(=O)(=O)O)c1	38647810	RWNMGRDIEPZMDG-UHFFFAOYSA-N	335.172	2.477	0	30	EEAC	
CCOC(=O)c1cnn(C(=O)COc2ccc(C)c3c2CCC3)c1N	80976	WXVFCOIOQPNPGE-UHFFFAOYSA-N	343.383	2.158	0	30	EEAC	
CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)c(F)c1	5855423	AXFBWQJYWRDHOP-CQSZACIVSA-N	327.396	2.059	0	30	EEAC	
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](F)[C@H]1C(=O)OCc1ccccc1	694890133	XKVMYQMEYRBQHW-MJBXVCDLSA-N	339.363	2.048	0	30	EEAC	
Nc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1	171053	DPPHOGVTKKKZFH-UHFFFAOYSA-N	327.771	2.283	0	30	EEAC	
Cc1ccccc1OC[C@@H](O)COC(=O)COc1ccccc1O	2017876	GQMHTLIBJICFID-CQSZACIVSA-N	332.352	2.063	0	30	EEAC	
CC(=O)Nc1ccc(C(=O)c2ccc(N(C)C)cc2O)c(C(=O)O)c1	2387109	RLVHXZUZNQEOCM-UHFFFAOYSA-N	342.351	2.346	0	30	EEAC	in-vitro
COC(=O)[C@@H]1ON(C)[C@@H]2c3cc(Br)ccc3CC[C@H]21	585138960	GHFSSFASUIHPJY-KGYLQXTDSA-N	326.190	2.471	0	30	EEAC	
CCOC(=O)c1c(O)c(O)c(C(=O)OCC)n1-c1ccc(OC)cc1	132989	FMQVJAPGSVCECP-UHFFFAOYSA-N	349.339	2.251	0	30	EEAC	
Cn1cnc(S(=O)(=O)NCc2csc(-c3cccs3)n2)c1	4337847	VITDKLAJMXFESM-UHFFFAOYSA-N	340.455	2.084	0	30	EEAC	
CCS(=O)(=O)c1ccc(O)c(NC(=O)CC(C)(C)CC(=O)O)c1	147856	DWJNCJIHIDFWQU-UHFFFAOYSA-N	343.401	2.015	0	30	EEAC	
CN1CCN(CN2C(=O)C(=NNc3ccccc3)c3ccccc32)CC1	254871531	XKQQYXUSSLZFDZ-UHFFFAOYSA-N	349.438	2.054	0	30	EEAC	
COC(=O)[C@@H]1ON(C)[C@@H]2c3cc(Br)ccc3CC[C@@H]21	209902633	GHFSSFASUIHPJY-WCFLWFBJSA-N	326.190	2.471	0	30	EEAC	
Cc1noc(C)c1-c1nc(CS(=O)(=O)c2ccc(F)cc2)no1	114077	NMRNHMRNJPAZLW-UHFFFAOYSA-N	337.332	2.454	0	30	EEAC	
Cc1nc(-c2cnccn2)sc1C(=O)NCCc1ccccn1	131534	VGKFGWPPWUKFMQ-UHFFFAOYSA-N	325.397	2.276	0	30	EEAC	
Cc1ccccc1OC[C@H](O)COC(=O)COc1ccc(F)cc1	2017871	QTNBBHNCRGDBQA-HNNXBMFYSA-N	334.343	2.496	0	30	EEAC	
Cc1ccccc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1N	6071901	YWXVGSRRJLYMHX-UHFFFAOYSA-N	339.804	2.130	0	30	EEAC	
CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ncccc12	79034073	QFDVXAMWMUCIER-UHFFFAOYSA-N	329.425	2.377	0	30	EEAC	
CCCc1cnc(N2CCN(CC(=O)Nc3ccccc3)CC2)nc1	63150933	WRYPBOJLRQCCAH-UHFFFAOYSA-N	339.443	2.190	0	30	EEAC	
CCOC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1	4321565	LGXJTEHSIUEUBX-QGZVFWFLSA-N	347.436	2.448	0	30	EEAC	
CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)O)c2C(F)F)C1	521398757	AIUCLDIYFSSSMS-ZETCQYMHSA-N	332.307	2.096	0	30	EEAC	
O=C1c2[nH]c3cc(-c4ccccc4)nn3c(=O)c2CN1Cc1ccco1	100228425	HGWSFYUJRCHXAH-UHFFFAOYSA-N	346.346	2.439	0	30	EEAC	
O=C(O)C1(C(=O)Nc2ccc(I)cc2)CC1	50290150	FCDDYSVRQPWCDX-UHFFFAOYSA-N	331.109	2.095	0	30	EEAC	in-vitro
C[C@@]1(C(=O)NN=Cc2ccccc2F)Oc2ccccc2NC1=O	6931061	PESHSTWVLNRZOC-QGZVFWFLSA-N	327.315	2.066	0	30	EEAC	
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc2ccccc2)C1=O	38611838	JNHDJPUXRUTTMT-UHFFFAOYSA-N	326.333	2.335	0	30	EEAC	
C[S@@](=O)(=NS(=O)(=O)c1cccc2nonc12)c1ccccc1	100216385	FVUIPEALCMUFQV-NRFANRHFSA-N	337.382	2.068	0	30	EEAC	
CC(C)CCCCCCN(CP(=O)(O)O)CP(=O)(O)O	38656995	MNFNHHSCDJUTGC-UHFFFAOYSA-N	331.286	2.165	0	30	EEAC	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cn1)C(=O)O	38306940	QBYRPIJAOSCCEY-JTQLQIEISA-N	345.193	2.365	0	30	EEAC	
O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)c2ccccc2O)c1	12368020	OCPJHUJTVSPFBE-CMDGGOBGSA-N	326.308	2.224	0	30	EEAC	
O=C(Nc1ccn([C@H]2CCNC2)n1)c1cccc(OC2CCCC2)c1	564836563	CMCYGFOFBJZCGV-HNNXBMFYSA-N	340.427	2.991	0	30	EEAC	
O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1Cc1ccccc1	100229495	FJAKKZSOEKERPY-UHFFFAOYSA-N	346.346	2.439	0	30	EEAC	
O=C(NCCSC1=NCCN1)c1cccnc1Oc1ccccc1	2157875	IRIWBMACVISDNT-UHFFFAOYSA-N	342.424	2.296	0	30	EEAC	
Cc1c(NC(=O)CCCCC(=O)O)c(=O)n(-c2ccccc2)n1C	64633612	WQYHBTLOMGJLGK-UHFFFAOYSA-N	331.372	2.068	0	30	EEAC	in-vitro
CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2)[C@H](C(=O)O)C1	687287466	GHHJNYRYSUDYTH-AWEZNQCLSA-N	338.379	2.332	0	30	EEAC	
CC(=O)Nc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs1	1365801	XAZFMIOYNXWNCL-UHFFFAOYSA-N	337.426	2.091	0	30	EEAC	
CCOC(=O)CSc1nnc(-c2cnn(-c3ccccc3)c2N)o1	160140	JOHUGVQPVDSKGE-UHFFFAOYSA-N	345.384	2.160	0	30	EEAC	
Cc1cc(/N=N/c2ncco2)c(C(=O)O)cc1NCS(=O)(=O)O	223735980	MVJHRNWSJTXXGG-FOCLMDBBSA-N	340.317	2.354	0	30	EEAC	
CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)n1)C(=O)O	44298394	XUOUMYZZHGGTNH-SECBINFHSA-N	345.193	2.365	0	30	EEAC	
CCCCCC[C@H](CCC)OC(=O)[C@H](CC(=O)O)S(=O)(=O)O	200085336	RVTGKSRKKCWQGW-RYUDHWBXSA-N	338.422	2.400	0	30	EEAC	
CCOC(=O)c1cc(CSc2n[nH]c(=O)n2-c2ccccc2)on1	120756	ZALVFPLOWCUKBL-UHFFFAOYSA-N	346.368	2.018	0	30	EEAC	
C[C@@H]1[C@H](O)C=C2CCCC[C@@H]2[C@@H]1CC[C@H](O)C[C@@H](O)CC(=O)O	263590103	XURYLQWHJLNCFX-IAPUWKBBSA-N	326.433	2.097	0	30	EEAC	
Cn1ccsc1=NS(=O)(=O)c1ccc(Br)cc1	254440069	CIQJJEBMQZYJQT-UHFFFAOYSA-N	333.232	2.139	0	30	EEAC	
Cc1oc(-c2ccccc2)nc1CCNCC(=O)N1CCC[C@H]1C#N	35879522	QYRWMYNQCXSWLV-INIZCTEOSA-N	338.411	2.297	0	30	EEAC	
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1	153822	MHGANWAVSWKTLS-JTQLQIEISA-N	349.811	2.443	0	30	EEAC	
CC(C)(O)C(C)(C)OB(O)c1cc(Cl)nc(C(F)(F)F)c1	200307069	MRBCCKPIUKZJSM-UHFFFAOYSA-N	325.523	2.007	0	30	EEAC	
COC(=O)c1nnn(-c2cc(Cl)cc(Cl)c2)c1C(=O)OC	105733	LSJSBPSQMXWXPH-UHFFFAOYSA-N	330.127	2.147	0	30	EEAC	
CCOc1ccccc1NC(=O)Nc1cccc(S(N)(=O)=O)c1	4325119	NVJRXABEDCLMRB-UHFFFAOYSA-N	335.385	2.377	0	30	EEAC	
FC(F)(F)c1ccnc(N2CCC(NC(=S)NC3CC3)CC2)n1	66536	ZHBWLMZRNXHELJ-UHFFFAOYSA-N	345.394	2.091	0	30	EEAC	
O=C1NC(SCCCF)=NC1=Cc1ccc(-n2cncn2)cc1	2265276413	OJDPAVFLVLFBHR-UHFFFAOYSA-N	331.376	2.187	0	30	EEAC	
COC(=O)c1cnc(I)c(Br)c1	88314917	WNPDQEDHQZXSOT-UHFFFAOYSA-N	341.930	2.235	0	30	EEAC	
COc1ccccc1N1CCN(C(=O)[C@@H](C)Nc2ccccn2)CC1	59299573	YBCNPJGKLQRKSW-OAHLLOKOSA-N	340.427	2.239	0	30	EEAC	
CCN(CCC(=O)OCCOC)c1cc(NC(C)=O)ccc1OC	5139551	JANKXSWDUFKJEY-UHFFFAOYSA-N	338.404	2.060	0	30	EEAC	
CC[C@@]1(c2ccccc2)C(=O)NC(=O)N1S(=O)(=O)c1ccccc1	5651640	HWWVPVUGOLNSEB-QGZVFWFLSA-N	344.392	2.233	0	30	EEAC	
COc1ccc2c3c1O[C@@H]1[C@@H](OC(C)=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314	223495577	LGGDXXJAGWBUSL-VOQVZEDJSA-N	343.423	2.296	0	30	EEAC	
C[C@@H](CCN1CCOCC1)OC(=O)C1(c2ccccc2)CCOCC1	30691519	RDEOYUSTRWNWLX-KRWDZBQOSA-N	347.455	2.389	0	30	EEAC	in-man
O[C@H]1O[C@@H]2COC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@H]12	77291447	DQACDWMYPBKPLD-OWYFMNJBSA-N	340.416	2.224	0	30	EEAC	in-vitro
O=S(=O)(NCc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1	131691	IBKTVWVCAIQMDV-UHFFFAOYSA-N	325.336	2.378	0	30	EEAC	
CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)C(C)(C)C)c1N	96336	HQCVQINSTLGXPV-UHFFFAOYSA-N	347.458	2.284	0	30	EEAC	
CCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1	4321563	LGXJTEHSIUEUBX-KRWDZBQOSA-N	347.436	2.448	0	30	EEAC	
CC1(C)CCc2cc(S(=O)(=O)NCCN3CCCC3)ccc2O1	4389248	QAFKWXHHTIIENM-UHFFFAOYSA-N	338.473	2.164	0	30	EEAC	
CCOC(=O)c1nnn2c1nc(SCC(C)=O)c1ccccc12	159540	LCKHAVPIDMGOJU-UHFFFAOYSA-N	330.369	2.135	0	30	EEAC	
O=C(O)CCOCCOCCNC(=O)O[C@H]1CC/C=C/CCC1	2265352351	QSADMTUKGBWTTN-YUKKFKLSSA-N	329.393	2.109	0	30	EEAC	
Cc1cc(I)ccc1NC(=O)/C=C/C(=O)O	96765	LTVGRMWGWKEUHQ-SNAWJCMRSA-N	331.109	2.179	0	30	EEAC	
CC[C@@H]1COCCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	145561332	UODILLNNNINBID-PSKZRQQASA-N	335.400	2.363	0	30	EEAC	
C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1	72318134	NDBQYPUELRHJBZ-OCCSQVGLSA-N	325.368	2.379	0	30	EEAC	
O[C@H]1[C@@H]([C@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@@H]12	205002678	XEYVZLZWQFLSDZ-DGADGQDISA-N	340.416	2.224	0	30	EEAC	
C=C(C)C(=O)O[C@@H]1CC2=C[C@@H](CC(C)=C[C@@H]3OC(=O)C(=C)[C@@H]31)OC2=O	2031772	JMUOPRSXUVOHFE-QXSJWSMHSA-N	344.363	2.164	0	30	EEAC	biogenic
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@H]3N)ncc2C(N)=O)c1	38208361	NZNTWOVDIXCHHS-HUUCEWRRSA-N	340.431	2.309	0	30	EEAC	
O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)OCc1ccccc1	34384512	MZWMAZXVUOCLHO-ZDUSSCGKSA-N	331.324	2.020	0	30	EEAC	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)nc1)C(=O)O	44299067	WMWLTWBDPDLKHY-VIFPVBQESA-N	345.193	2.365	0	30	EEAC	
COc1ccc(-c2c(C(F)(F)F)nn(C)c2NS(C)(=O)=O)cc1	118073	SFJFARYONDPVAA-UHFFFAOYSA-N	349.334	2.486	0	30	EEAC	
CC(C)N(C=O)[C@H]1NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O	1565503616	PFHJQQBZFAFQQD-LLVKDONJSA-N	330.171	2.243	0	30	EEAC	
CC(C)(O)C(C)(C)OB(O)c1ccc(NC(=O)NC2CCCC2)cc1	203585176	YOOVGPNNJYFZHQ-UHFFFAOYSA-N	348.252	2.004	0	30	EEAC	
N#Cc1c(-c2ccccc2)cn2c(=O)n(-c3ccccc3)c(=O)[nH]c12	32192121	QQXDZEWULXBIGD-UHFFFAOYSA-N	328.331	2.317	0	30	EEAC	
CCCC[Sn]1(CCCC)OS(=O)(=O)O1	196002342	BEOSQUOYHDCDNU-UHFFFAOYSA-L	329.006	2.320	0	30	EEAC	
O=C(O)C[C@@H](CC(=O)NC[C@@H](O)c1ccccc1)c1ccccc1	4325227	QEVBFDMCNMNBMJ-IAGOWNOFSA-N	327.380	2.485	0	30	EEAC	
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1	153825	MHGANWAVSWKTLS-SNVBAGLBSA-N	349.811	2.443	0	30	EEAC	
CC[C@H](C)[C@@H]1C=C([C@H](O)C[C@H](O)[C@H](O)C(=O)O)[C@@H]([C@@H](C)CC)C1	5925407	RKOUCPMGBBKLNK-FCANUZDQSA-N	328.449	2.199	0	30	EEAC	endogenous,in-man
Cc1cc(NC(=O)NCCCN2CCOCC2)c(C(F)(F)F)o1	19924864	PPGHQUXNFILBPO-UHFFFAOYSA-N	335.326	2.451	0	30	EEAC	
O[C@H](CN1CCN(c2c(Cl)cncc2Cl)CC1)C(F)(F)F	20223650	NOYVNTMPAIAKNS-SNVBAGLBSA-N	344.164	2.434	0	30	EEAC	
Cc1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)ccc2c1[C@@H](O)C[C@@H](C)C2	60315002	KYDBWGRCKWMGOO-SZNJKDRVSA-N	334.412	2.211	0	30	EEAC	
CC(=O)c1ccc(OC[C@H](O)CNCc2ccc3c(c2)OCO3)cc1	119031	MYFQFRXBARKKSW-MRXNPFEDSA-N	343.379	2.147	0	30	EEAC	
Cc1ccc(S(=O)(=O)Nc2cnc(Br)cn2)cc1	88448424	YFYZLFQXQXISAJ-UHFFFAOYSA-N	328.191	2.348	0	30	EEAC	
CC1=CC[C@@H]2C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@H]2C1	100234075	QEHYBGJQNDYOAE-IRXDYDNUSA-N	326.396	2.369	0	30	EEAC	
CNC(=O)OCCSCCS(=O)(=O)c1ccc(Cl)cc1	4344819	XZNYPFNVPZYXQJ-UHFFFAOYSA-N	337.850	2.203	0	30	EEAC	
C[S@](=O)(=NS(=O)(=O)c1cccc2nonc12)c1ccccc1	13466370	FVUIPEALCMUFQV-OAQYLSRUSA-N	337.382	2.068	0	30	EEAC	
Cc1nn(C(=O)C(C#N)=NNc2ccccc2[N+](=O)[O-])c(C)c1C	254594353	CCVQMQINCJUVSY-UHFFFAOYSA-N	326.316	2.348	0	30	EEAC	
CC(C)(C)c1cc2[nH]c3c(c(=O)n2n1)CN(Cc1ccccc1)C3=O	100229503	ISJQOUBAAIQUFV-UHFFFAOYSA-N	336.395	2.476	0	30	EEAC	
COc1cc(C(=O)Nc2cc(C)ccc2C(N)=O)cc(OC)c1OC	27635504	NMYMGNGIYAEUNE-UHFFFAOYSA-N	344.367	2.372	0	30	EEAC	
CCCCC[C@H](O)[C@H](O)C[C@H](O)[C@H](O)CCCCCCCC(=O)O	5103924	VJOGZGLNDROOFS-HZMVEIRTSA-N	348.480	2.216	0	30	EEAC	biogenic
CC1=CC[C@H]2C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@H]2C1	18146035	QEHYBGJQNDYOAE-SJORKVTESA-N	326.396	2.369	0	30	EEAC	
O=C(NCC[C@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21	229154572	BVYPRFGDGMVRDG-KRWDZBQOSA-N	341.363	2.361	0	30	EEAC	
COC(=O)[C@@H]1ON(C)[C@H]2c3cc(Br)ccc3CC[C@@H]12	15042603	GHFSSFASUIHPJY-RAIGVLPGSA-N	326.190	2.471	0	30	EEAC	
COCOc1ccc(C(=O)Nc2ccc3nc(C(=O)O)cn3c2)cc1	2242137790	HAMXVDIJALQDLE-UHFFFAOYSA-N	341.323	2.268	0	30	EEAC	
O=C(O)COCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1	156369	VSIFKQLUERUYQD-UHFFFAOYSA-N	346.305	2.345	0	30	EEAC	
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(F)cc1	118198	FYHCJLYDHRJVMA-UHFFFAOYSA-N	326.349	2.230	0	30	EEAC	
CCOC(=O)C(=CN(CC)c1ccc2c(c1)OCO2)C(=O)OCC	5139251	MJPSXFFZUVDQND-UHFFFAOYSA-N	335.356	2.252	0	30	EEAC	
C[C@]12C[C@@H](O[N+](=O)[O-])[C@]3(O)c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O	96336923	QKNRTYSNSQAVCD-ABJHKEKUSA-N	347.367	2.108	0	30	EEAC	
Cn1ncc(I)c1-c1ccnc(NC2CC2)n1	953066071	NQYLEDBMWDVNDT-UHFFFAOYSA-N	341.156	2.056	0	30	EEAC	
O=c1c2ccccc2[nH]c(=S)n1-c1ccc(S(=O)(=O)O)cc1	33637614	AENMRVKTNNJRNW-UHFFFAOYSA-N	334.378	2.295	0	30	EEAC	
CNC(=O)c1ccccc1[S@@](=O)c1ccccc1COC(C)=O	8648615	MPVKJHNMJWQTSH-HSZRJFAPSA-N	331.393	2.276	0	30	EEAC	
C[C@@]1(C(=O)O)CN(C(=O)OCc2ccccc2)C[C@@](C)(C(=O)O)C1	95921553	NQONQVXXZZVOMU-IRXDYDNUSA-N	335.356	2.211	0	30	EEAC	
NC[C@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21	107258692	ZFSKGFLXBJQSFB-ZIAGYGMSSA-N	338.407	2.329	0	30	EEAC	
CCN1C(=O)C(=Cc2ccc(Cl)nc2)SC1=Nn1cnnc1	1398925	ZQXUZSJKVIQLMP-UHFFFAOYSA-N	334.792	2.082	0	30	EEAC	
N[C@]1(CO)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	14808460	XESJENMGMSHOCY-HXUWFJFHSA-N	338.407	2.331	0	30	EEAC	
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](F)[C@@H]1C(=O)OCc1ccccc1	694890130	XKVMYQMEYRBQHW-BFHYXJOUSA-N	339.363	2.048	0	30	EEAC	
O=C(c1n[nH]c2ccccc12)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2	888088701	MNQQJAFIAHJSRA-XEZPLFJOSA-N	338.411	2.036	0	30	EEAC	
O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(F)cc1	119025	WROGOTHXLJWPOD-UHFFFAOYSA-N	330.344	2.482	0	30	EEAC	in-vivo
CCOC(=O)C1=NO[C@H](COc2ccc(Cl)cc2C=NO)C1	254293105	YBEXMVBQSQLANY-NSHDSACASA-N	326.736	2.235	0	30	EEAC	
O=C(NC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1ccco1	66530	VMSWUZVNMNIFLV-UHFFFAOYSA-N	340.305	2.487	0	30	EEAC	
Cc1csc2c(N3CCN(C(=S)NCC4CC4)CC3)ncnc12	82924	BCFINTYSWKIXPY-UHFFFAOYSA-N	347.513	2.406	0	30	EEAC	
COC(=O)c1cc(OC)c(OC)cc1N1C(=O)c2ccccc2C1=O	116328	IZSUICLOTVGBCQ-UHFFFAOYSA-N	341.319	2.291	0	30	EEAC	
O=C(O)C[C@H](CC(=O)NC[C@@H](O)c1ccccc1)c1ccccc1	4325226	QEVBFDMCNMNBMJ-DLBZAZTESA-N	327.380	2.485	0	30	EEAC	
CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2)[C@@H](C(=O)O)C1	687287467	GHHJNYRYSUDYTH-CQSZACIVSA-N	338.379	2.332	0	30	EEAC	
COc1ccc(COC[C@@H](O)CNC2Cc3ccccc3C2)cc1	119013	WITROFSVMWRSFR-IBGZPJMESA-N	327.424	2.330	0	30	EEAC	
CC(=O)Nc1ccc(O[C@@H](NCCc2ccc(O)cc2)[C@@H](C)O)cc1	223693529	QMNMCZAKYPDCBP-BFUOFWGJSA-N	344.411	2.269	0	30	EEAC	
Cc1ccc(NC(=O)C[C@@H]2NCCN(Cc3ccccc3)C2=O)cc1	145205	GQEVKWYRTPBUFV-SFHVURJKSA-N	337.423	2.324	0	30	EEAC	
CC(=O)N1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	22007651	BSPVCTLTQKZACB-UHFFFAOYSA-N	327.350	2.058	0	30	EEAC	
COP(=O)(OC)C(O)(Cc1cccnc1)P(=O)(OC)OC	22066903	AXCRKMZJULTTJV-UHFFFAOYSA-N	339.221	2.242	0	30	EEAC	in-vitro
C[C@@H](N)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	217016546	ZGJWIRMRIBWFDB-PIGZYNQJSA-N	340.379	2.326	0	30	EEAC	
Cc1nnc(C2CCN(C(=O)n3oc(=O)c(C(C)C)c3C)CC2)o1	26935423	HPBXYVHABARJHS-UHFFFAOYSA-N	334.376	2.412	0	30	EEAC	
COC(=O)c1sccc1NNS(=O)(=O)c1ccc(C)cc1	82244	MQJGALIVXBMZTD-UHFFFAOYSA-N	326.399	2.149	0	30	EEAC	
CCOC(=O)C(=NNc1ccccc1C(F)(F)F)N1CCOCC1	254700865	YGLWTMUXBMOKNG-UHFFFAOYSA-N	345.321	2.326	0	30	EEAC	
CCOC(=O)c1c(N2C(=O)CSCC2=O)sc2c1CCCC2	116588	BBQNKASUWSTPPK-UHFFFAOYSA-N	339.438	2.410	0	30	EEAC	
CC[C@H](C)[C@@H]1C=C([C@H](O)C[C@H](O)[C@H](O)C(=O)O)[C@@H]([C@H](C)CC)C1	257532154	RKOUCPMGBBKLNK-KRXVNEDPSA-N	328.449	2.199	0	30	EEAC	endogenous,in-man
O=S(=O)(c1cccc2nonc12)N1CCC(n2cccc2)CC1	118271	WXLYMWIAXPOSRP-UHFFFAOYSA-N	332.385	2.050	0	30	EEAC	
Cn1c2ccc(F)cc2c2nnc(SCC(=O)NC3CC3)nc21	1366366	GIAYMQNDWSUWOB-UHFFFAOYSA-N	331.376	2.026	0	30	EEAC	
CCOC(=O)[C@@H]1[C@H]2C[C@@H]([C@@H]3OC(C)(C)O[C@H]32)N1C(=O)OC(C)(C)C	299806275	UXPXZPVCUAQSIL-MOLYVOAJSA-N	341.404	2.077	0	30	EEAC	
CO[Si](CCc1ccc(S(=O)(=O)N=[N+]=[N-])cc1)(OC)OC	195751105	NXBOTJRZWNVHBE-UHFFFAOYSA-N	331.426	2.106	0	30	EEAC	
CC(C)(C)OC(=O)[C@@H]1C[C@H](C(=O)O)CCN1C(=O)OC(C)(C)C	390822119	GPAAMZCGXUULTF-MNOVXSKESA-N	329.393	2.428	0	30	EEAC	
CCNC(=O)NC(=O)CSc1nccn1-c1ccc(Cl)cc1	5972509	AOCDQQWJYLZCMC-UHFFFAOYSA-N	338.820	2.464	0	30	EEAC	
Nc1nc(COc2ccccc2)ncc1S(=O)(=O)c1ccccc1	1035821	CXSURBKBCHGOCI-UHFFFAOYSA-N	341.392	2.471	0	30	EEAC	
CC(=O)Nc1ccc(O[C@@H](NCCc2ccc(O)cc2)[C@H](C)O)cc1	223693473	QMNMCZAKYPDCBP-ORAYPTAESA-N	344.411	2.269	0	30	EEAC	
COC(=O)[C@@H](N)Cc1cc(Br)cc(Br)c1	238364944	IMFZWTSNURHXNT-VIFPVBQESA-N	337.011	2.254	0	30	EEAC	
CC(=O)c1ccc(OC[C@@H](O)CNCc2ccc3c(c2)OCO3)cc1	119035	MYFQFRXBARKKSW-INIZCTEOSA-N	343.379	2.147	0	30	EEAC	
COC(=O)[C@H](c1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1	71614652	IQVNTJNTBZJMRH-HNNXBMFYSA-N	334.416	2.453	0	30	EEAC	
O[C@@]1(CN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CCNC1	72435063	DALDQPZVAQTDOK-INIZCTEOSA-N	344.377	2.273	0	30	EEAC	
CC(C)(C)OC(=O)N[C@H](Cc1cncc(Br)c1)C(=O)O	44300632	VDWZBIYCAYZSJW-SNVBAGLBSA-N	345.193	2.365	0	30	EEAC	
CCOC(=O)c1cncnc1[C@@H]1CN(Cc2ccccc2)CCO1	503852089	QITANMJLLFQVIH-INIZCTEOSA-N	327.384	2.227	0	30	EEAC	
C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCC(=O)O)[C@H](O)C[C@H]1O	206847041	AHRWSOYISAIFOZ-JRBZFYFNSA-N	332.437	2.454	0	30	EEAC	
O[C@H](c1ccccc1Cl)[C@@](O)(Cn1cncn1)C1(Cl)CC1	212628316	JOFJRMIXOWNPNA-OCCSQVGLSA-N	328.199	2.168	0	30	EEAC	
CC(=O)CCCCOC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	205417798	DIRVERVZGUZZHA-YDHLFZDLSA-N	342.461	2.015	0	30	EEAC