smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCn1cc(CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cn1	217408912	BZZNSXWDCAVOSK-UHFFFAOYSA-N	313.317	0.363	70	50	DCIA	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccnnc2)cc1	460099212	ZTATXYJPKVFNOB-UHFFFAOYSA-N	317.323	0.936	70	50	DCIA	
CC(C)(C)OC(=O)N1CC2(CC(=O)O[C@@H]2CS(=O)(=O)F)C1	757216655	HHKOWCYADYUYBX-MRVPVSSYSA-N	323.342	0.838	70	50	DCIA	
Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1nnc[nH]1	218559602	XUXQXHAMSLDUOS-UHFFFAOYSA-N	300.278	0.167	70	50	DCIA	
COCC(=O)Nc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1	218513257	NBDRNNGFJYSRTA-UHFFFAOYSA-N	303.318	0.956	70	50	DCIA	
C[C@H](CCC(=O)NCCSc1ncn[nH]1)N1CCOCC1	218311991	LQPCBHBPOVTOBQ-LLVKDONJSA-N	313.427	0.514	70	50	DCIA	
CC[C@@H](C)[C@@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O	217603934	IDBVGXPJOLAWAL-ZWNOBZJWSA-N	319.361	0.213	70	50	DCIA	biogenic
COC(=O)[C@H](C)NC(=O)Cn1nc2c(cc1=O)CCCCC2	218125841	ZZWPOGHUQSKKKL-JTQLQIEISA-N	307.350	0.190	70	50	DCIA	
Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2ncn[nH]2)cn1	218763187	ALWAPMLIYXWVIL-NEPJUHHUSA-N	303.322	0.474	70	50	DCIA	
Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2ccccc2[nH]c1=O	218191885	ZMVBRRPIYATAAT-JTQLQIEISA-N	312.329	0.860	70	50	DCIA	
C[C@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)CCCO1	1875385463	UAQXHBQQFPXBOV-VIFPVBQESA-N	318.326	0.926	70	50	DCIA	
Cn1ccnc1CN1CCN(C(=O)c2ccncc2F)CC1	217131570	VXOYYXFBJBWMJG-UHFFFAOYSA-N	303.341	0.912	70	50	DCIA	
COCCc1noc(CN2CCCn3nc([C@@H](C)O)cc3C2)n1	217076332	BEYSDNCEBOVPKI-LLVKDONJSA-N	321.381	0.914	70	50	DCIA	
CNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2CN)c1	160364587	ZOYBBAYPXYHKNO-MRVPVSSYSA-N	303.409	0.220	70	50	DCIA	
CN(CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2C)Cc1cccnc1	217354570	IAYAWIHNQLOOSK-CABCVRRESA-N	316.405	0.593	70	50	DCIA	
COC(=O)CNC(=O)Cn1ccc2c(NC(C)=O)cccc21	218303140	UQGMAERDORUPAO-UHFFFAOYSA-N	303.318	0.889	70	50	DCIA	
C[C@H]1[C@@H](O)CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1	1875385254	PITYVUITEAGMCD-KWQFWETISA-N	318.326	0.660	70	50	DCIA	
C[C@@H](C(=O)NCc1c[nH]c(=O)[nH]c1=O)n1cnc2ccccc21	217192553	RIHFZGYQFNBGES-VIFPVBQESA-N	313.317	0.290	70	50	DCIA	
O=C(CN1C(=O)CNC1=O)NCCc1nc2ccccc2o1	218285972	QMJQQGKQTSJUBQ-UHFFFAOYSA-N	302.290	0.038	70	50	DCIA	
O=C(Cn1cnnc1)N[C@@H]1CCOC[C@H]1OCc1ccccc1	218035238	LXCLOBAOTQAYLL-HUUCEWRRSA-N	316.361	0.769	70	50	DCIA	
Cc1nc2ccccn2c1CN(C)C(=O)CN1C(=O)CNC1=O	217716237	BRTXNGRIUAEXNH-UHFFFAOYSA-N	315.333	0.153	70	50	DCIA	
COC(=O)CNC(=O)Cc1ccc(OS(=O)(=O)F)cc1	1875374118	BCYRVIXQXJWLNU-UHFFFAOYSA-N	305.283	0.111	70	50	DCIA	
CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1ncccn1	1875385696	ZGYLCECOENDKNH-UHFFFAOYSA-N	312.282	0.741	70	50	DCIA	
CCCn1nc(C)c(CNC(=O)CCn2nnnc2C)c1C	218742596	QGUJUVXFYHEWMD-UHFFFAOYSA-N	305.386	0.911	70	50	DCIA	
CC[C@@H]1COCCN1C(=O)c1cncc(OS(=O)(=O)F)c1	1875384047	CABVWWAJCGAPQR-SNVBAGLBSA-N	318.326	0.926	70	50	DCIA	
COC(=O)N[C@@H](C)C(=O)NCc1csc(-c2ncccn2)n1	218009935	WTORTZGIRGVZMK-QMMMGPOBSA-N	321.362	0.961	70	50	DCIA	
CN(C(=O)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1	217211932	XDEGGNYPFNKZQW-SECBINFHSA-N	321.358	0.182	70	50	DCIA	
CO[C@@H]1CCC[C@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875384320	DYNIZKJTVOCFMS-GHMZBOCLSA-N	318.326	0.972	70	50	DCIA	
Cc1n[nH]c(C2CC2)c1C(=O)N1CCn2nc(CO)cc2C1	217790700	HHDOXSNVYZDNAM-UHFFFAOYSA-N	301.350	0.940	70	50	DCIA	
NC[C@H]1CCCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1	160169791	FMJWVOVCCUFDPU-CYBMUJFWSA-N	316.336	0.935	70	50	DCIA	
Cc1cccc(=O)n1CCCNC(=O)C[C@H]1C=CS(=O)(=O)C1	217942052	YAXOVCDZCWBRGC-CYBMUJFWSA-N	324.402	0.611	70	50	DCIA	
CNc1nc(N2CCCn3nc([C@H](O)CO)cc3C2)ncc1F	217180247	QZANRTQVBNRBKD-GFCCVEGCSA-N	322.344	0.290	70	50	DCIA	
COCCn1ccnc1CN1CCCn2nc(CO)cc2C1	216971948	MJBNFNVWUYNGDG-UHFFFAOYSA-N	305.382	0.624	70	50	DCIA	
CCCc1ncncc1C(=O)N1CCn2nc(CO)cc2C1	216926700	NSJLTQMROBWAHJ-UHFFFAOYSA-N	301.350	0.774	70	50	DCIA	
CCN(C(=O)c1cncc(OS(=O)(=O)F)c1)[C@@H]1CCOC1	1875384638	HTHKIAQFZAEPHH-SNVBAGLBSA-N	318.326	0.926	70	50	DCIA	
CCO[C@H]1CN(C(=O)CC2=CSC3=NCCCN23)C[C@@H]1O	218589442	IUKIPYSOSSEKLL-RYUDHWBXSA-N	311.407	0.635	70	50	DCIA	
Cc1nc2[nH]c(C)c(CCC(=O)N[C@H](CO)C(C)C)c(=O)n2n1	218475938	ONEXSMYYLAHJGE-GFCCVEGCSA-N	321.381	0.100	70	50	DCIA	
Cc1nnc(CNC(=O)Cn2cnc3ccsc3c2=O)o1	218236297	MVMSSNHCSGXOME-UHFFFAOYSA-N	305.319	0.466	70	50	DCIA	
Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)n1C	218593826	MGPSNOZPBFYNRZ-HIFRSBDPSA-N	309.410	0.799	70	50	DCIA	
OC[C@@H](O)c1cc2n(n1)CCN(CCOCc1ccccc1)C2	217900678	POPUXJXGEWBIRT-QGZVFWFLSA-N	317.389	0.941	70	50	DCIA	
CCCO[C@H]1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1	217549648	KWBDSOOQNLWLGO-LBPRGKRZSA-N	309.366	0.344	70	50	DCIA	
CC(C)(CN1CCCn2nc(CO)cc2C1)N1CCOCC1	217971412	WPTSJTJCMCULKA-UHFFFAOYSA-N	308.426	0.692	70	50	DCIA	
CN(C[C@H]1CCCO1)C(=O)c1cncc(OS(=O)(=O)F)c1	1875382322	YBRFOWRQIPCCFJ-SNVBAGLBSA-N	318.326	0.926	70	50	DCIA	
Cc1nnc([C@@H](C)NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1	218627404	LIJFBOSTOVVSMG-ZCFIWIBFSA-N	315.289	0.399	70	50	DCIA	
Nc1[nH]nc(C(=O)N2CCN(CCCCO)CC2)c1Cl	218271061	XWVBMQTXYKSTRZ-UHFFFAOYSA-N	301.778	0.176	70	50	DCIA	
O=C(CCCn1cncn1)N[C@H]1CCCN(c2cnccn2)C1	217552321	XWMAADQZTZJEMO-ZDUSSCGKSA-N	315.381	0.634	70	50	DCIA	
CN(C)C(=O)CN1CCCN(C(=O)CCCn2cccn2)CC1	218672076	LPYXAFSFJJJXCL-UHFFFAOYSA-N	321.425	0.286	70	50	DCIA	
O=C(Cn1nccn1)N[C@@H]1CCOC[C@H]1Oc1ccccn1	218722341	JZAMRYAQHZRLPW-VXGBXAGGSA-N	303.322	0.026	70	50	DCIA	
O=C(Cn1nccn1)N[C@@H]1CCOC[C@H]1OCc1ccccn1	218223139	ULQHRUQPVPAXRT-ZIAGYGMSSA-N	317.349	0.164	70	50	DCIA	
COC(=O)N[C@H](C)C(=O)NCc1nc(-c2ccncc2)n[nH]1	218544979	BLUIEJMCYCVDNH-MRVPVSSYSA-N	304.310	0.227	70	50	DCIA	
NC[C@H]1CCCN1C(=O)CCn1cnc2ccccc2c1=O	160281494	XYICBDQOQDIEBY-GFCCVEGCSA-N	300.362	0.736	70	50	DCIA	
Cc1cc(C)nc(NCC(=O)NCc2nnc3ccccn23)n1	218339515	IMPBDRZJZLWQJN-UHFFFAOYSA-N	311.349	0.864	70	50	DCIA	
O=S(=O)(Cc1ccccc1Cl)N[C@@H]1CCOC[C@H]1O	218465623	VSJFFOCQNDBFLW-VXGBXAGGSA-N	305.783	0.909	70	50	DCIA	
Cn1c(CNC(=O)CNC(=O)c2cnccn2)nc2ccccc21	218394491	NUYHUZKQIBGDOK-UHFFFAOYSA-N	324.344	0.410	70	50	DCIA	
O=C(c1cccc(O)c1)N1CCN(S(=O)(=O)C2CC2)CC1	160835199	DGUIJNOZNONARA-UHFFFAOYSA-N	310.375	0.642	70	50	DCIA	
Cc1cc(=O)c2ccccc2n1CC(=O)N1CCNC(=O)[C@H]1C	218005326	KTKUDIFWCZRLGE-GFCCVEGCSA-N	313.357	0.657	70	50	DCIA	
Cc1sc(C(=O)N2CCCNCC2)cc1S(N)(=O)=O	160821454	FLMRTXSMAKTHLU-UHFFFAOYSA-N	303.409	0.139	70	50	DCIA	
CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCNCC2)c1	159397806	GVLNWGQDUWEQEJ-UHFFFAOYSA-N	302.783	0.789	70	50	DCIA	
C[C@@H]1CO[C@@H](CNC(=O)c2cncc(OS(=O)(=O)F)c2)C1	1875382880	VLZYOHVANHFNFJ-WCBMZHEXSA-N	318.326	0.830	70	50	DCIA	
CC(=O)c1c(C)nn(CC(=O)NCCSc2ncn[nH]2)c1C	218445225	RRPGAKRHXCSTFO-UHFFFAOYSA-N	322.394	0.729	70	50	DCIA	
CC(=O)c1[nH]c(C)c(C(=O)NCCSc2nnnn2C)c1C	218648733	BHGONZSMOMOZKO-UHFFFAOYSA-N	322.394	0.880	70	50	DCIA	
CC(C)(C)c1nsc(N2CC[C@@H](NS(C)(=O)=O)C2)n1	159530950	PUFZJRBVCWSDLV-MRVPVSSYSA-N	304.441	0.964	70	50	DCIA	
COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1csc(N)n1	218431034	QWIIEOFBDHNWAQ-YGNMPJRFSA-N	311.407	0.824	70	50	DCIA	
Nc1cccc(C(=O)N2CCC(N3CCC[C@H](O)C3)CC2)n1	216944142	BCOOFEFKFGKLFW-ZDUSSCGKSA-N	304.394	0.725	70	50	DCIA	
Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1c[nH]nc1-n1cnnn1	217197734	XJOARYQZGPKMCT-LURJTMIESA-N	301.314	0.216	70	50	DCIA	
Cc1noc(CCNC(=O)C[C@H]2Oc3ccccc3NC2=O)n1	218286894	DMTSXTLPFINLEQ-GFCCVEGCSA-N	316.317	0.827	70	50	DCIA	
O=C(CCn1cnnn1)N1CCCO[C@@H](CN2CCCCC2)C1	217558968	MDIJGTKJAVFEMX-AWEZNQCLSA-N	322.413	0.167	70	50	DCIA	
CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1	160093415	DNNPNMJYUWLACF-CYDGBPFRSA-N	302.440	0.847	70	50	DCIA	
Cc1cc(CC(=O)N2CCN(Cc3nccn3C)CC2)on1	216972321	AUFCVRWPNYVVRZ-UHFFFAOYSA-N	303.366	0.603	70	50	DCIA	
Cc1nccc(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)n1	218018860	NXEKQGCPJDEFEX-KGLIPLIRSA-N	308.382	0.251	70	50	DCIA	
O=C(CN1CCOC1=O)N[C@H]1CCCN(c2cnccn2)C1	217139819	QYEZMGBZPKJVJD-NSHDSACASA-N	305.338	0.014	70	50	DCIA	
COc1cc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc2c1OCO2	218418461	ABKCFTIWLIKZPM-VIFPVBQESA-N	319.317	0.756	70	50	DCIA	
O=S(=O)(F)c1cccc(S(=O)(=O)NCC(F)F)c1	167366338	DFPORZWXUSDSLK-UHFFFAOYSA-N	303.283	0.888	70	50	DCIA	
Cc1cc(N)n(CC(=O)N[C@@H](C(=O)N(C)C)c2ccccc2)n1	218059074	JGXGFWYDZNKXEN-OAHLLOKOSA-N	315.377	0.719	70	50	DCIA	
Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1ncn[nH]1	218381127	IAUQQOOYSOHUDW-NEPJUHHUSA-N	321.337	0.514	70	50	DCIA	
CC1CCN(Cc2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)o2)CC1	217391049	FIUCLKQSRQAEAK-UHFFFAOYSA-N	319.365	0.853	70	50	DCIA	
COC(=O)[C@@H](C)NC(=O)Cn1nc(-c2ccco2)ccc1=O	218388448	FNWWPWSBPHBFEY-SECBINFHSA-N	305.290	0.181	70	50	DCIA	
CC(C)(C)c1nsc(N2CC[C@H](NS(C)(=O)=O)C2)n1	159530814	PUFZJRBVCWSDLV-QMMMGPOBSA-N	304.441	0.964	70	50	DCIA	
O=C(Cn1ncnn1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1	218657257	HETFWKIAOWXANE-XRGAULLZSA-N	313.361	0.436	70	50	DCIA	
O=C(Cn1ccc2c(cnc3ccnn32)c1=O)Nc1ncc[nH]1	218240908	NOSCEFLLRXLLHE-UHFFFAOYSA-N	309.289	0.406	70	50	DCIA	
OC[C@H](O)c1cc2n(n1)CCN(CCOCc1ccccc1)C2	217900774	POPUXJXGEWBIRT-KRWDZBQOSA-N	317.389	0.941	70	50	DCIA	
O=C(CN1CCOC1=O)NCc1nc(-c2ccccc2)n[nH]1	217188170	QWHYSPNHVQITLZ-UHFFFAOYSA-N	301.306	0.540	70	50	DCIA	
Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2c[nH]c(=O)[nH]2)cn1	218605795	SBEIZNUHCNPDOO-YPMHNXCESA-N	318.333	0.373	70	50	DCIA	
Cc1nnnn1CCC(=O)NCc1ccc(-n2cncn2)cc1	218005822	UFPZHEQURQGAHI-UHFFFAOYSA-N	312.337	0.269	70	50	DCIA	
CC(C)[C@H](C(=O)NCCCN)N1C(=O)c2ccccc2C1=O	160115049	JKGXIUNXTMQGBV-CYBMUJFWSA-N	303.362	0.772	70	50	DCIA	
CC1(c2nnc(C3CCOCC3)o2)CN(S(=O)(=O)F)C1	1875374856	HMGMRRLEGRMZPB-UHFFFAOYSA-N	305.331	0.751	70	50	DCIA	
CC(C)C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCS1(=O)=O	160172597	JAQHYKCWEXDXAG-MLGOLLRUSA-N	302.440	1.784	70	50	DCIA	
COC(=O)[C@H]1C[C@@H](S(=O)(=O)F)CN1C(=O)c1ccccc1	1615056896	NWGSAUHYVQQMRD-GHMZBOCLSA-N	315.322	0.742	70	50	DCIA	
COC(=O)[C@@H]1C[C@@H](S(=O)(=O)F)CN1C(=O)c1ccccc1	1615056897	NWGSAUHYVQQMRD-MNOVXSKESA-N	315.322	0.742	70	50	DCIA	
Cc1cc(=O)[nH]c(NCCNC(=O)c2n[nH]c3ccccc23)n1	217571243	YWCXJLUMZQSAAJ-UHFFFAOYSA-N	312.333	0.797	70	50	DCIA	
CCCN(C[C@H]1CCCO1)C(=O)CCn1ccc(=O)[nH]c1=O	217074187	OTXWHZZSNLXFKN-GFCCVEGCSA-N	309.366	0.344	70	50	DCIA	
COc1cc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc(OC)c1O	218294631	BIEAXSIEBADICT-SECBINFHSA-N	321.333	0.742	70	50	DCIA	
COC(=O)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(C)C	218298598	ZBUTWVJMMGHRFR-HNNXBMFYSA-N	321.377	0.436	70	50	DCIA	
CC[C@@H]1COC[C@@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875385174	NSRXEAHGVGLRNW-KCJUWKMLSA-N	318.326	0.830	70	50	DCIA	
CC(=O)c1c(C)nn(CCC(=O)N(C)C[C@H]2COCCO2)c1C	217611981	FGLVUTVAEVRBPY-AWEZNQCLSA-N	323.393	0.966	70	50	DCIA	
CCN1C[C@H](NC(=O)c2nnc3nc(C)cc(C)n23)[C@@H](OC)C1	218770960	HCMVMHBEANUVTP-RYUDHWBXSA-N	318.381	0.190	70	50	DCIA	
CN(CCCn1cccn1)c1cc(C2CC(N)C2)nc(N)n1	218508319	VUKDEOKEFGRHOX-UHFFFAOYSA-N	301.398	0.987	70	50	DCIA	
O=C(NCc1nnc2n1CCC2)[C@@H](c1ccccc1)n1cnnn1	218055723	VVJLWBMMLBINAK-CQSZACIVSA-N	324.348	0.117	70	50	DCIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccccc1	218303287	XGLDVERUGDHSIX-LLVKDONJSA-N	317.345	0.816	70	50	DCIA	
CC[C@H](Cn1ccnc1)NC(=O)CN(C)C1CCN(C)CC1	218649596	WCCWPPSLEBOGQF-CQSZACIVSA-N	307.442	0.804	70	50	DCIA	
CC[C@H](NC(=O)c1c[nH]c2cc(C)nn2c1=O)[C@H]1C[C@@H](O)C1	218510633	LNGJOAQCVMYAJX-NHCYSSNCSA-N	304.350	0.610	70	50	DCIA	
Cc1nc(O)cc(CN2CCCn3nc([C@H](O)CO)cc3C2)n1	217936817	LARRPBXEIYPXME-CQSZACIVSA-N	319.365	0.119	70	50	DCIA	
Cc1cn2cc(C(=O)NCCSc3nnnn3C)ccc2n1	218700803	ZQGBTEQUSAWVJD-UHFFFAOYSA-N	317.378	0.688	70	50	DCIA	
CN(C)CC[C@H]1CCCCN1C(=O)c1cn(C)c(=O)[nH]c1=O	217542597	JCGQCVLSJDUHQC-LLVKDONJSA-N	308.382	0.020	70	50	DCIA	
Cc1cnc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)cn1	216939700	YHJPCVTWJZSKBD-UHFFFAOYSA-N	304.350	0.248	70	50	DCIA	
Cn1c(=O)cc(C(=O)N[C@@H]2CCOC[C@H]2O)c2ccccc21	218152295	YZKNZAXSWWMLDK-TZMCWYRMSA-N	302.330	0.418	70	50	DCIA	
CN1CCN(CCOc2ccc(OS(=O)(=O)F)cc2)CC1	1875368301	HVVYUZPFOXTXEB-UHFFFAOYSA-N	318.370	0.906	70	50	DCIA	
CCc1noc([C@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)n1	217355487	LPYNSDPMIRMTBD-QMMMGPOBSA-N	305.338	0.752	70	50	DCIA	
Cc1cc(CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc(C)n1	218404284	ICNJXVHRKGSVEG-UHFFFAOYSA-N	302.334	0.173	70	50	DCIA	
CCCc1nc(CN(CC)C(=O)c2cn(C)c(=O)[nH]c2=O)no1	218389350	RRKDNYAMXFPISV-UHFFFAOYSA-N	321.337	0.071	70	50	DCIA	
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCc2ccccc2C1	218137627	UKYUKZLVGKNORO-CYBMUJFWSA-N	313.357	0.588	70	50	DCIA	
CC(C)(C)n1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(N)=O)c1	218093092	MAXXDTMNHXHVOY-CHWSQXEVSA-N	323.393	0.632	70	50	DCIA	
COc1cc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc2c1OCO2	218418540	ABKCFTIWLIKZPM-SECBINFHSA-N	319.317	0.756	70	50	DCIA	
Nc1nc(NCC2(CO)CCOCC2)cc(C2CC(N)C2)n1	217987637	CEUWGKOTZFWXTD-UHFFFAOYSA-N	307.398	0.465	70	50	DCIA	
CN(C)[C@@H](C(=O)NCCc1noc(CO)n1)c1ccc(F)cc1	216957376	DJFHLYQJYMTKKX-CQSZACIVSA-N	322.340	0.663	70	50	DCIA	
O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1ccccn1	217053259	SYFVPBZDNXBRMW-ZDUSSCGKSA-N	314.345	0.685	70	50	DCIA	
CO[C@@H]1CC[C@@H]1N(C)C(=O)c1cncc(OS(=O)(=O)F)c1	1875382138	SASRAJKKBQCFIG-WDEREUQCSA-N	318.326	0.924	70	50	DCIA	
Cn1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)n1	460098169	VRCBLBIJMODVEP-UHFFFAOYSA-N	319.339	0.879	70	50	DCIA	
Cn1c(CO)nnc1[C@H]1CCCN(C(=O)CN2CCCC2)C1	217784944	JJPOVCNRWHQESZ-LBPRGKRZSA-N	307.398	0.109	70	50	DCIA	
CSc1ncc(C(=O)NCCc2cc(O)nc(C)n2)cn1	218579323	KAHRRHCJKDKEQN-UHFFFAOYSA-N	305.363	0.975	70	50	DCIA	
CN(C[C@H]1COCCO1)C(=O)Cn1nnc(-c2ccccc2)n1	217152388	UCXYFRGPAMKJFT-ZDUSSCGKSA-N	317.349	0.214	70	50	DCIA	
CC(C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O	217867927	WQMDIRUSFSYXDT-NWDGAFQWSA-N	323.349	0.223	70	50	DCIA	biogenic
NC[C@@H]1CCCN1C(=O)CCn1cnc2ccccc2c1=O	160281609	XYICBDQOQDIEBY-LBPRGKRZSA-N	300.362	0.736	70	50	DCIA	
O=C(NC1CCN(C2CCOCC2)CC1)c1cccc(=O)[nH]1	218345589	DVGCHTOPEYPJBF-UHFFFAOYSA-N	305.378	0.748	70	50	DCIA	
CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CN1CCOCC1	218253756	RZIKKFVHKJKPSV-UHFFFAOYSA-N	306.341	0.993	70	50	DCIA	
O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ncccc1O	218281968	ZLPUNWPUXBWSLN-DZGBDDFRSA-N	303.362	0.769	70	50	DCIA	
O=C(CCN1CCCCC1)N1CCN(c2ncc[nH]c2=O)CC1	217651405	GSPYRXYSWFXYHJ-UHFFFAOYSA-N	319.409	0.295	70	50	DCIA	
COC[C@H]1[C@@H](NC(=O)CN(C)Cc2ccncc2)[C@@H]2CCO[C@@H]21	218435101	JKMAICYFVCZVJH-OTRWWLKZSA-N	319.405	0.680	70	50	DCIA	
CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1sccc1N	218175222	FURZBZRNSMXJBL-NEPJUHHUSA-N	313.423	0.796	70	50	DCIA	
C[C@H](NC1CCN(S(=O)(=O)F)CC1)C(=O)OC(C)(C)C	1875373785	ORHRDWPXBCQPTG-VIFPVBQESA-N	310.391	0.985	70	50	DCIA	
C[C@H]1OCC[C@@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875385090	MPAIBQVMWBKFLA-XCBNKYQSSA-N	304.299	0.582	70	50	DCIA	
COC(=O)N[C@H](C)C(=O)NCCc1nc2ccccc2c(=O)[nH]1	218214744	ZXOPUDZKPKGROG-SECBINFHSA-N	318.333	0.326	70	50	DCIA	
COC(=O)CNC(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O	218450460	YUGPSOASSYNKRM-GFCCVEGCSA-N	322.361	0.547	70	50	DCIA	
COC(=O)CNC(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O	218450387	YUGPSOASSYNKRM-LBPRGKRZSA-N	322.361	0.547	70	50	DCIA	
COc1ccnc(N2CCC(C(=O)N3CCC[C@@H]3CN)CC2)n1	160200797	VDIFEMRPHFQRII-CYBMUJFWSA-N	319.409	0.651	70	50	DCIA	
O=C(Cn1ccc2ccccc21)NCCc1noc(CO)n1	218263236	SQBNLLXWAFETFE-UHFFFAOYSA-N	300.318	0.876	70	50	DCIA	
Cn1cc([C@H](NC(=O)c2ncccc2O)C2CC(O)C2)cn1	218602258	NAGPRYJYYMHOGF-QEIKUCIBSA-N	302.334	0.763	70	50	DCIA	
C[C@H](C(=O)NCCc1noc(C(F)(F)F)n1)n1cncn1	217836581	IAMHSQWEXSOOFX-ZCFIWIBFSA-N	304.232	0.600	70	50	DCIA	
O=C(CCn1cncn1)N1CCOc2ccc(CO)cc2C1	217021337	UCLWFHAXWSQGKB-UHFFFAOYSA-N	302.334	0.582	70	50	DCIA	
CN(Cc1ccc(OS(=O)(=O)F)cc1)[C@H]1CCNC1=O	1875387453	ISEHXQDMWVHTDG-NSHDSACASA-N	302.327	0.600	70	50	DCIA	
C[C@@H]1[C@H](O)CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1	1875385255	PITYVUITEAGMCD-LDYMZIIASA-N	318.326	0.660	70	50	DCIA	
CC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc2ccsc2c1=O	218420328	IYHLHGAGAYQRLN-MWLCHTKSSA-N	309.391	0.981	70	50	DCIA	
Cc1nc(C)n(CCCNC(=O)Cc2c(C)nc(C)[nH]c2=O)n1	218714405	KHZVTEXZDKEEPF-UHFFFAOYSA-N	318.381	0.344	70	50	DCIA	
Cc1cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)C2)nc(C)n1	217087940	UPAWUNKADXZPRK-CQSZACIVSA-N	303.410	0.555	70	50	DCIA	
CNC[C@@H]1CCCN1C(=O)CCn1nc2ccccn2c1=O	161171766	IVAPSQCEXJHMBB-LBPRGKRZSA-N	303.366	0.097	70	50	DCIA	
Nc1cc(N2CCCS2(=O)=O)ccc1OS(=O)(=O)F	1875390068	PUQWTGWAIWBMFB-UHFFFAOYSA-N	310.328	0.402	70	50	DCIA	
Cc1cc(=O)n(CC(=O)N(C)CCc2ccncc2)nc1C	218241588	GMLNHNANCADYLL-UHFFFAOYSA-N	300.362	0.956	70	50	DCIA	
COc1cnc(CN2CCCn3nc(CO)cc3C2)cc1O	217593077	BATQZNBHUTVWRC-UHFFFAOYSA-N	304.350	0.891	70	50	DCIA	
Cn1ncc2c(N)nc(N3CCCn4nc(CO)cc4C3)nc21	216997234	URKICABMQIYCLR-UHFFFAOYSA-N	314.353	0.045	70	50	DCIA	
NC(=O)NC1(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)CC1	160159108	ORTDLFWVFPJVRK-QGZVFWFLSA-N	315.373	0.888	70	50	DCIA	
Cc1cnn(C)c1CN1CCN(C2CCOCC2)C[C@@H](O)C1	217026422	HZBIHDIAWVAEMF-HNNXBMFYSA-N	308.426	0.386	70	50	DCIA	
Cc1nn(CCO)c(C)c1CN1CCCn2nc(CO)cc2C1	217136528	BOGKYQFBWUIICA-UHFFFAOYSA-N	319.409	0.587	70	50	DCIA	
CC(=O)c1c(C)nn(CCC(=O)N(C)C[C@@H]2COCCO2)c1C	217611909	FGLVUTVAEVRBPY-CQSZACIVSA-N	323.393	0.966	70	50	DCIA	
CCn1nc(CO)c2c1CCN(C(=O)CCCn1cncn1)C2	216944545	BNAAQRPVIVBUKB-UHFFFAOYSA-N	318.381	0.352	70	50	DCIA	
CO[C@H]1CC[C@@H]1N(C)C(=O)c1cncc(OS(=O)(=O)F)c1	1875382137	SASRAJKKBQCFIG-QWRGUYRKSA-N	318.326	0.924	70	50	DCIA	
Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2c(c1)OCCO2	218324057	QSHDZXLQLVKKTO-JTQLQIEISA-N	303.318	0.790	70	50	DCIA	
O=C(NC1CCS(=O)(=O)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1	217896714	HISCHVSXBTYJSH-DRZSPHRISA-N	300.424	0.601	70	50	DCIA	
CCOc1ncccc1C(=O)N1CCn2nc(CO)cc2C1	217857541	SZFKDOSUTQMKMP-UHFFFAOYSA-N	302.334	0.825	70	50	DCIA	
Cc1nnnn1[C@H](C(=O)NCC1(C)COC1)c1ccccc1	217116245	ZSXQWPSBWNKYAV-ZDUSSCGKSA-N	301.350	0.724	70	50	DCIA	
CN(CCc1cnn(C)c1)C(=O)CSc1nnc(N)s1	217032521	YPPIRQGOXFZCGW-UHFFFAOYSA-N	312.424	0.647	70	50	DCIA	
Cc1cc(=O)cc(C(=O)N2CCN(Cc3nccn3C)CC2)o1	217024066	RUUNUYRNFGHWSY-UHFFFAOYSA-N	316.361	0.640	70	50	DCIA	
CNC(=O)COc1ccc(C[C@@H]2CC(=O)N(CCOC)C2)cc1	218734837	SDLNRGXDXAJJCP-CQSZACIVSA-N	320.389	0.849	70	50	DCIA	
CC[S@](C)(=O)=NC(=O)c1cncc(OS(=O)(=O)F)c1	1875385610	XLJBMTINLJDRPN-SFHVURJKSA-N	310.328	0.933	70	50	DCIA	
OC[C@@H](O)c1cc2n(n1)CCN(CCCc1cccnc1)C2	217380800	SMIPWUGYVPQOMR-MRXNPFEDSA-N	302.378	0.752	70	50	DCIA	
CN(CCc1noc(C(F)(F)F)n1)C(=O)CCn1cncn1	217546532	IRLJDSVDQZYJKB-UHFFFAOYSA-N	318.259	0.771	70	50	DCIA	
CNC(=O)COc1ccc(C[C@H]2CC(=O)N(CCOC)C2)cc1	218734897	SDLNRGXDXAJJCP-AWEZNQCLSA-N	320.389	0.849	70	50	DCIA	
O=C(NCCN1CCC(O)CC1)[C@H](O)c1ccc(Cl)cc1	217342536	BRGHILWDMNOARK-CQSZACIVSA-N	312.797	0.946	70	50	DCIA	
COCCn1c(C)cc(C)c(C(=O)NCCn2ccnc2)c1=O	218541815	KZNFVIRSRYVPRE-UHFFFAOYSA-N	318.377	0.738	70	50	DCIA	
Cc1nc2cc(CNC(=O)CN3CCOC3=O)ccc2n1C	217901866	MTWPDNKBHXGIGL-UHFFFAOYSA-N	302.334	0.950	70	50	DCIA	
C[C@@H]1C[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1	1875384392	GMLRNTBZKBNPOV-PSASIEDQSA-N	318.326	0.972	70	50	DCIA	
O=C(CN1CCOC1=O)NCCCc1nnc2ccccn12	218542871	CJZHNKMSUIWXIR-UHFFFAOYSA-N	303.322	0.230	70	50	DCIA	
CC(=O)N1CC(Nc2ccc3c(c2)OCC(=O)N3C)=CC1=O	218515261	NXKAQBRARPADSJ-UHFFFAOYSA-N	301.302	0.726	70	50	DCIA	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCc1nc(C2CC2)no1	217012357	GCTWGVWTRLWENW-VIFPVBQESA-N	311.363	0.554	70	50	DCIA	
COCCn1cncc1CN1CCCn2nc(CO)cc2C1	217386069	JATDWPWQKXPASW-UHFFFAOYSA-N	305.382	0.624	70	50	DCIA	
Cn1cc(N2CCN(C(=O)CNc3ccccc3)CC2=O)cn1	159386994	WUAPGFQIFNWOIK-UHFFFAOYSA-N	313.361	0.707	70	50	DCIA	
Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cnn3cccnc23)o1	218344498	RNBAOHPSVAHFBK-VIFPVBQESA-N	314.301	0.704	70	50	DCIA	
Cc1nc([C@@H](C)NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c(C)s1	217372598	OHBZZPWNVQMURT-SSDOTTSWSA-N	322.390	0.865	70	50	DCIA	
CN(C(=O)c1cncc(OS(=O)(=O)F)c1)[C@H]1CCCOC1	1875384295	DMIYURZHCMECDG-JTQLQIEISA-N	318.326	0.926	70	50	DCIA	
CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1ccn(C)n1	1875384630	HRTMWSRSYQQGBR-UHFFFAOYSA-N	314.298	0.685	70	50	DCIA	
Cc1ncc(CO)c(CN2CCCn3nc(CO)cc3C2)c1O	217937484	UIPAYWBQMRMTOV-UHFFFAOYSA-N	318.377	0.683	70	50	DCIA	
CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1csnn1	159447706	OBADUFRWMRNIFN-NSHDSACASA-N	304.441	0.832	70	50	DCIA	
COCCn1c(C)cc(C)c(C(=O)NCCn2cccn2)c1=O	218458552	VJQRZXYMKFSZTI-UHFFFAOYSA-N	318.377	0.738	70	50	DCIA	
CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1F	218217000	UQEGTZFVQIFZIY-ZIAGYGMSSA-N	311.357	0.686	70	50	DCIA	
Cc1cc(N)n(CC(=O)N2CCC[C@H](Cn3ccnc3)C2)n1	216955628	WIVLQXLVDMJCLP-CYBMUJFWSA-N	302.382	0.909	70	50	DCIA	
O=C(CN1CCOCC1)N[C@H]1CCCN(Cc2cccnc2)C1	218235686	LOXNMDLLCWOQIJ-INIZCTEOSA-N	318.421	0.494	70	50	DCIA	
Cn1nc(C(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)ccc1=O	218175696	RGVZONHJFRITGX-TZMCWYRMSA-N	321.377	0.484	70	50	DCIA	
CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnc(C(C)C)cc2=O)C1	160669403	HJJWNPJSSPEPFA-CYBMUJFWSA-N	320.393	0.494	70	50	DCIA	
CN1C[C@]2(CCCN(C(=O)C(=O)c3cccn3C)C2)OC1=O	216907740	OLGFIICSGVXDIS-HNNXBMFYSA-N	305.334	0.651	70	50	DCIA	
COc1ccc(CNc2c(NC[C@@H](C)O)c(=O)c2=O)cc1OC	218205028	SUKLPNCYNVEMBA-SECBINFHSA-N	320.345	0.705	70	50	DCIA	
CC(=O)N[C@@H]1[C@@H](Nc2nc(C)nc3c2CCC3)[C@H]2CCO[C@H]21	218451068	DQIWVHBBDANGMD-FAAHXZRKSA-N	302.378	0.978	70	50	DCIA	
C[C@H](O)c1cc2n(n1)CCN(C(=O)C1(Cn3ccnc3)CC1)C2	217335187	FNGZGZHGVJOTSW-LBPRGKRZSA-N	315.377	0.956	70	50	DCIA	
CC(C)[C@@H](NC(=O)CN1CCCN(C)CC1)c1ncnn1C	218290118	DUHMVFQSQCRADA-CQSZACIVSA-N	308.430	0.266	70	50	DCIA	
C[C@@H]1COCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C1	1875385538	VQKJKACAJNPQAS-VIFPVBQESA-N	318.326	0.783	70	50	DCIA	
CCc1nccn1CCC(=O)N1C[C@@H]2CCC[C@H](C1)C(=O)N2	217177382	MUPFMKWMCHZOGU-OLZOCXBDSA-N	304.394	0.963	70	50	DCIA	
COC(=O)c1ccccc1Nc1c(NC[C@@H](C)O)c(=O)c1=O	217752151	IPYWHQQRPDXDQP-MRVPVSSYSA-N	304.302	0.606	70	50	DCIA	biogenic
Cc1nc(CNC(=O)CN2CCOC2=O)nc2c1CCCC2	218282465	WWLDUDTWZCBBRH-UHFFFAOYSA-N	304.350	0.732	70	50	DCIA	
Cc1nonc1CC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1	218313847	PTCHILYVVQZWML-UEKVPHQBSA-N	302.334	0.944	70	50	DCIA	
CNc1cc(C(=O)N2CCn3nc([C@H](O)CO)cc3C2)ccn1	217120164	FECUFLACXGGMDC-CYBMUJFWSA-N	317.349	0.002	70	50	DCIA	
CNC[C@H]1CCCN1C(=O)CCn1nc2ccccn2c1=O	161171883	IVAPSQCEXJHMBB-GFCCVEGCSA-N	303.366	0.097	70	50	DCIA	
COC(=O)[C@H]1C[C@H](S(=O)(=O)F)CN1C(=O)c1ccccc1	1615056899	NWGSAUHYVQQMRD-WDEREUQCSA-N	315.322	0.742	70	50	DCIA	
COC(=O)N1CCCC[C@H]1C(=O)NCc1nnc2ccccn12	218769434	GDSPJHFZJTXPHZ-NSHDSACASA-N	317.349	0.966	70	50	DCIA	
COCCc1noc(CN2CCCn3nc([C@H](C)O)cc3C2)n1	217076365	BEYSDNCEBOVPKI-NSHDSACASA-N	321.381	0.914	70	50	DCIA	
O=C(Cn1ccnn1)N[C@@H]1CCOC[C@H]1OCc1ccccn1	218465427	RYVCJRQTTLGVTL-ZIAGYGMSSA-N	317.349	0.164	70	50	DCIA	
COc1ccc(CCC(=O)NC[C@]2(O)CCNC2)cc1OC	217633730	LNRVNJATTFDTQK-INIZCTEOSA-N	308.378	0.477	70	50	DCIA	
COCC(=O)N1CCCN(C(=O)c2cc(=O)cc(C)o2)CC1	218265233	BEXOBYWOGPHEKC-UHFFFAOYSA-N	308.334	0.269	70	50	DCIA	
Cn1cc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)nn1	1875384110	CNVYLCOCDMIZKO-UHFFFAOYSA-N	300.271	0.661	70	50	DCIA	
Cc1ccc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1	159554465	ZIVFOZCIZVXBDO-LLVKDONJSA-N	312.391	0.712	70	50	DCIA	
O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccnnc1	218524262	KTLDVECRKCHHCZ-HUUCEWRRSA-N	314.345	0.976	70	50	DCIA	
Cc1nc(N)ncc1C(=O)N1CCCn2nc([C@@H](C)O)cc2C1	217449761	BQOYSWOVJJMCHG-SNVBAGLBSA-N	316.365	0.663	70	50	DCIA	
Cc1cn2cccc(C(=O)N3CCn4nc(CO)cc4C3)c2n1	217731612	DSSKHYVUFPJFTM-UHFFFAOYSA-N	311.345	0.988	70	50	DCIA	
O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1nc(C2CC2)no1	217012396	GCTWGVWTRLWENW-SECBINFHSA-N	311.363	0.554	70	50	DCIA	
O=C(COC[C@H]1CCCCO1)NCc1cnn2cccnc12	217525498	IPADZOPLMAODMO-CYBMUJFWSA-N	304.350	0.931	70	50	DCIA	
OCc1ccc(CN2CCCn3nc([C@@H](O)CO)cc3C2)o1	217855765	CXKWTUIGLYFMTB-HNNXBMFYSA-N	307.350	0.400	70	50	DCIA	
Cc1nonc1CC(=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1	218313923	PTCHILYVVQZWML-PGUXBMHVSA-N	302.334	0.944	70	50	DCIA	
CN(CC(=O)N(C)CCc1cnn(C)c1)Cc1cccnc1	216987976	ZVMQZMJCAIHMFF-UHFFFAOYSA-N	301.394	0.948	70	50	DCIA	
Cn1cc([C@H](NC(=O)c2ccc(O)cn2)C2CC(O)C2)cn1	218511006	BEOPMVVNCQLPCU-WIQPZXRYSA-N	302.334	0.763	70	50	DCIA	
CN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	217677671	DCRBRVDUGWUHLR-LKQDWFRTSA-N	311.341	0.543	70	50	DCIA	
CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2cc(C)no2)C1=O	217713220	CYESNQGKXIPACV-NSHDSACASA-N	308.338	0.662	70	50	DCIA	
CN1C[C@H](CNC(=O)Cc2ccc(N(C)C)cc2)OCC1=O	217072711	JZAACUZEBYBFOC-AWEZNQCLSA-N	305.378	0.269	70	50	DCIA	
COCCN(C[C@H]1CCCO1)C(=O)c1n[nH]c(N)c1Cl	218093489	DDXVFXPXRPPBTH-MRVPVSSYSA-N	302.762	0.913	70	50	DCIA	
O=C(Cc1cnc2ncnn2c1O)N[C@H](CO)c1ccccc1	218443565	IAPLIJLYRSODOD-GFCCVEGCSA-N	313.317	0.222	70	50	DCIA	
O=C1NCCN1c1ccc(CC(=O)N2CC[C@@H]3CNC[C@@H]32)cc1	216922965	APARPRFYNRDPON-HIFRSBDPSA-N	314.389	0.579	70	50	DCIA	
O=C(CCCn1cncn1)N[C@H]1CCOC2(CCOCC2)C1	217554618	UCIZGILINNQUTI-ZDUSSCGKSA-N	308.382	0.903	70	50	DCIA	
CCc1ccc(CNC(=O)CCn2ccc(=O)[nH]c2=O)nc1	217151965	LKGSUNJPGXYKSO-UHFFFAOYSA-N	302.334	0.201	70	50	DCIA	
NC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cn1	161365408	UCNIOGLZDRMCSF-CYBMUJFWSA-N	312.329	0.869	70	50	DCIA	
COC[C@H]1[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H]2CCO[C@@H]21	218390066	UJIZEVASHMHAOV-JURCDPSOSA-N	305.378	0.927	70	50	DCIA	
CC[C@@H](NC(=O)c1c[nH]c2cc(C)nn2c1=O)[C@H]1C[C@@H](O)C1	218510559	LNGJOAQCVMYAJX-CKYFFXLPSA-N	304.350	0.610	70	50	DCIA	
Cc1c(C(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)cnn1C	216980907	ROPZQNWKCSVSKP-CYBMUJFWSA-N	321.425	0.401	70	50	DCIA	
CC(=O)Nc1ccc(N(S(=O)(=O)F)S(=O)(=O)F)cc1	1501018268	SMMIWAIOWMUFCR-UHFFFAOYSA-N	314.291	0.880	70	50	DCIA	
O=C1N[C@H]2CC[C@@H]1CN(C(=O)Cn1c(=O)oc3ccccc31)C2	217483199	OEHYGVGQILJZQV-MNOVXSKESA-N	315.329	0.332	70	50	DCIA	
Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cnn3cccnc23)o1	218344582	RNBAOHPSVAHFBK-SECBINFHSA-N	314.301	0.704	70	50	DCIA	
CNC(=O)c1noc(CNC(=O)CCc2ccc(F)c(F)c2)n1	218768931	PFGASDZTJCESEN-UHFFFAOYSA-N	324.287	0.956	70	50	DCIA	
OCc1ccc(CN2CCN(c3ccncc3)C[C@@H](O)C2)o1	216932012	IODDXVWFTLOPKY-AWEZNQCLSA-N	303.362	0.850	70	50	DCIA	
C[C@@H](O)c1cc2n(n1)CCCN(Cc1nc3ncccn3n1)C2	217982712	JSFRNBALDMLTHH-LLVKDONJSA-N	313.365	0.780	70	50	DCIA	
COc1cc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc(OC)c1O	218294587	BIEAXSIEBADICT-VIFPVBQESA-N	321.333	0.742	70	50	DCIA	
CN(CC(=O)N1CCC(n2cnnc2)CC1)Cc1ccncc1	217202386	UNYCXSSTNYHFJR-UHFFFAOYSA-N	314.393	0.969	70	50	DCIA	
O=C(c1ccc2c(c1)OCO2)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1	217017524	HKQDOZRYRSQFKD-FNFFVJSTSA-N	305.330	0.619	70	50	DCIA	
CN1C[C@@]2(CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)OC1=O	217102589	BURQXPHOPBQNGO-MRXNPFEDSA-N	317.345	0.530	70	50	DCIA	
COc1cccc(C(=O)NCCC(=O)NC[C@@H]2COCCO2)c1	217570577	WAKWULZKUBWBLQ-CQSZACIVSA-N	322.361	0.347	70	50	DCIA	
CC1(C)COCCN1C(=O)c1cncc(OS(=O)(=O)F)c1	1875384821	IXQLZXBEUHUKMS-UHFFFAOYSA-N	318.326	0.926	70	50	DCIA	
C[C@H]1CO[C@H](CNC(=O)c2cncc(OS(=O)(=O)F)c2)C1	1875382879	VLZYOHVANHFNFJ-SCZZXKLOSA-N	318.326	0.830	70	50	DCIA	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1	2325899424	DASQXYMQRICAHK-OYNCUSHFSA-N	302.327	0.373	70	50	DCIA	
Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O	218069107	LBLBZZDIJPLRGH-SECBINFHSA-N	320.374	0.646	70	50	DCIA	
O=C(CCc1ccc(F)cc1)N[C@H]1COC[C@@H]1N1CCOCC1	218278148	ZDZOIQUMVRBZRW-HOTGVXAUSA-N	322.380	0.974	70	50	DCIA	
CN(C)c1ccc(CC(=O)N2C[C@@H](CO)C[C@@H](CO)C2)cc1	216907950	ZENPQKZBDZWPMM-GASCZTMLSA-N	306.406	0.744	70	50	DCIA	
Cc1nccn1CCC(=O)N1Cc2nc(C)n(C)c(=O)c2C1	217564385	GXBCBLUDCJPAGQ-UHFFFAOYSA-N	301.350	0.526	70	50	DCIA	
CCO[C@H]1CN(C(=O)c2nc3ccccc3[nH]c2=O)C[C@@H]1O	218369310	KRQKSYDGHGEPIP-RYUDHWBXSA-N	303.318	0.145	70	50	DCIA	
O=C(CCc1cc(Cl)no1)N1CCn2nc(CO)cc2C1	217184012	ZALMYXAVRBJMQG-UHFFFAOYSA-N	310.741	0.992	70	50	DCIA	
C[C@@H]1OCC[C@@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875385091	MPAIBQVMWBKFLA-XVKPBYJWSA-N	304.299	0.582	70	50	DCIA	
O=C(c1ccn(C(F)F)n1)N1CCN(S(=O)(=O)F)CC1	1875373725	MLZZYHALMVXBLO-UHFFFAOYSA-N	312.273	0.250	70	50	DCIA	
CSCC[C@H](NC(C)=O)C(=O)NCc1cnn2cccnc12	217960954	IZGFXGWOUJSZFW-LBPRGKRZSA-N	321.406	0.603	70	50	DCIA	
COC[C@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1	217194220	MMKWCQLVDGUIJK-VIFPVBQESA-N	303.318	0.325	70	50	DCIA	
COC(=O)[C@@H]1C[C@@H](S(=O)(=O)F)CN1C(=O)c1cccs1	1615057948	WEUXBVPYZUAUHR-SFYZADRCSA-N	321.351	0.804	70	50	DCIA	
COCc1noc(CN2CCN(c3ccncc3)C[C@@H](O)C2)n1	217490696	LAPSVBJEENZPDS-ZDUSSCGKSA-N	319.365	0.294	70	50	DCIA	
CN1C[C@@H](NS(=O)(=O)Cc2cccc(F)c2)CCC1=O	160047852	VAFWNMICCCFVMK-LBPRGKRZSA-N	300.355	0.866	70	50	DCIA	
CC(C)Cc1cc(C(=O)NCCc2ncnn2C)nc(=O)[nH]1	218384743	BLKIMGDEABCJHN-UHFFFAOYSA-N	304.354	0.069	70	50	DCIA	
C[SiH](C)c1cc([SiH](C)C)c([SiH](C)C)cc1[SiH](C)C	169816698	IELJCLAGTSXSPF-UHFFFAOYSA-N	310.738	0.461	70	50	DCIA	
Nc1ncccc1CN1CCN(C2CCOCC2)C[C@@H](O)C1	217772233	VDTUEFOKSFPMJR-HNNXBMFYSA-N	306.410	0.321	70	50	DCIA	
Cc1cc(=O)c(C(=O)N2CCCn3nc(CO)cc3C2)cn1C	217377456	KAHVPCKNAOQKDG-UHFFFAOYSA-N	316.361	0.429	70	50	DCIA	
COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1cn[nH]c1	217124888	XLBIXHSYQQXHFT-UHFFFAOYSA-N	324.362	0.038	70	50	DCIA	
O=C(NCCc1c[nH]cn1)[C@H](Cc1ccccc1)n1cnnn1	218147771	ZBDXPHJWDKJQRE-AWEZNQCLSA-N	311.349	0.539	70	50	DCIA	
CN1CCN(C)[C@@H](CC(=O)NCCSc2ccccn2)C1	217122696	BTETYZGKIYESGQ-ZDUSSCGKSA-N	308.451	0.926	70	50	DCIA	
CN(C)[C@@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)[C@H]2CCO[C@H]21	218550856	JWUDDKGMPWBMFS-PZNDFVKQSA-N	318.299	0.876	70	50	DCIA	
O=C(CN1CCn2nc([C@H](O)CO)cc2C1)N1CCCCCC1	217206159	WLSFTBMSEJUAJP-OAHLLOKOSA-N	322.409	0.127	70	50	DCIA	
CN1C[C@H](CNC(=O)c2ccccc2N2CCCC2)OCC1=O	217614727	PHLOFZXLCOSEFT-ZDUSSCGKSA-N	317.389	0.874	70	50	DCIA	
O=C(NCCc1nc(-c2cccnc2)no1)c1c[nH]c(=O)[nH]1	217131944	ODNOHWGWPSMZDD-UHFFFAOYSA-N	300.278	0.121	70	50	DCIA	
Cn1c(=O)[nH]cc(CC(=O)NCc2cnc3ccccc3c2)c1=O	217031459	VENDVVPBCMHUOA-UHFFFAOYSA-N	324.340	0.481	70	50	DCIA	
C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	952884977	WKGRUIAQXKMDFN-RKDXNWHRSA-N	320.342	0.597	70	50	DCIA	
Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O	218069039	LBLBZZDIJPLRGH-VIFPVBQESA-N	320.374	0.646	70	50	DCIA	
C[C@@H]1CCO[C@@H]1CNC(=O)c1cncc(OS(=O)(=O)F)c1	1875384585	GQBDYALIESZQMB-LDYMZIIASA-N	318.326	0.830	70	50	DCIA	
COc1ncccc1C(=O)NCc1nc(-c2cnccn2)n[nH]1	217042524	CDYDCWFBPCPTFV-UHFFFAOYSA-N	311.305	0.595	70	50	DCIA	
CN(CC(=O)NCc1cnc2cnccn12)Cc1cccnc1	217630841	WLFWNMZUTOPNNI-UHFFFAOYSA-N	310.361	0.873	70	50	DCIA	
O=C(CCCn1cncn1)N[C@@H]1CCCN(c2cnccn2)C1	217552231	XWMAADQZTZJEMO-CYBMUJFWSA-N	315.381	0.634	70	50	DCIA	
O=C(N[C@@H]1COCC[C@H]1O)c1ccc(N2CCCC2=O)cc1	217165997	XVAMNANORXIDEC-ZIAGYGMSSA-N	304.346	0.693	70	50	DCIA	
CN1CCC(O)(CNC(=O)[C@H](O)c2ccccc2Cl)CC1	218714294	UWJMXKRCYVFXHD-CYBMUJFWSA-N	312.797	0.946	70	50	DCIA	
O=S(=O)(F)N1CCN(Cc2nnc(C3CC3)s2)CC1	1875374087	ZWBBVTFHSZZUDO-UHFFFAOYSA-N	306.388	0.747	70	50	DCIA	
CN(C)C(=O)c1cncc(N2CCCn3nc(CO)cc3C2)n1	217911606	OWLVEHSIPLHBBX-UHFFFAOYSA-N	316.365	0.278	70	50	DCIA	
NC[C@@H]1CCCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1	160169918	FMJWVOVCCUFDPU-ZDUSSCGKSA-N	316.336	0.935	70	50	DCIA	
Cc1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCOC2)ccc1F	217002747	GZRPWCKPMMRYGE-SNVBAGLBSA-N	316.354	0.318	70	50	DCIA	
C[C@H]1C[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1	1875384396	GMLRNTBZKBNPOV-WCBMZHEXSA-N	318.326	0.972	70	50	DCIA	
CNC(=O)c1cccc(CNC(=O)CCn2nnnc2C)c1	218383195	UNUFCYFSWPKPNJ-UHFFFAOYSA-N	302.338	0.048	70	50	DCIA	
Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCn1ccc(=O)[nH]c1=O	217063991	APEUZRBTUFKIKH-MRVPVSSYSA-N	305.338	0.144	70	50	DCIA	
CC(C)c1cc(C(=O)NCCc2nnc(N)s2)nc(N)n1	218305624	OKARPLFWAOALOL-UHFFFAOYSA-N	307.383	0.588	70	50	DCIA	
COc1cccc(SCC(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1	216812004	ZNNJYFNWCHEJQD-FZMZJTMJSA-N	311.403	0.989	70	50	DCIA	
Cc1ccc2c(c1)c(CNC(=O)CN1CCC[C@H](O)C1)nn2C	218728385	ZZSDZLGEQQPWEQ-ZDUSSCGKSA-N	316.405	0.955	70	50	DCIA	
Cc1nc2[nH]cc(C(=O)N(C)C3CCSCC3)c(=O)n2n1	218051703	FGEPLOSNDAZCEO-UHFFFAOYSA-N	307.379	0.694	70	50	DCIA	
CN1CC[C@@H](N(C)Cc2ccc(OS(=O)(=O)F)cc2)C1=O	1875387571	ODYZJSODYVLXPZ-GFCCVEGCSA-N	316.354	0.942	70	50	DCIA	
O=S1(=O)CCC(CNc2cc(C3CC(O)C3)ncn2)CC1	218008403	YDXKNSMOULFBFO-UHFFFAOYSA-N	311.407	0.952	70	50	DCIA	
C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	952884976	WKGRUIAQXKMDFN-IUCAKERBSA-N	320.342	0.597	70	50	DCIA	
Cc1ccn(CCC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n1	218488086	QCZWKGVRGBEWIK-UHFFFAOYSA-N	315.377	0.894	70	50	DCIA	
CC(=O)N[C@@H]1[C@@H](NC(=O)COCc2ccccc2)[C@H]2CCO[C@H]21	218759506	GZDXQIDXULYVHA-XLNGHYISSA-N	318.373	0.611	70	50	DCIA	
COc1cc(NC2=CC(=O)N(C(C)=O)C2)ccc1-n1cnnn1	218548120	BGGBBXRGSYFGRH-UHFFFAOYSA-N	314.305	0.355	70	50	DCIA	
Cc1nnnn1CCC(=O)N1CCN(C)[C@@H](c2ccccc2)C1	217639664	QORMYFOWLBZMMP-OAHLLOKOSA-N	314.393	0.887	70	50	DCIA	
O=S(=O)(F)CCn1cc(COc2cccc(CO)c2)nn1	2325893103	NMUVJESMRMDEFB-UHFFFAOYSA-N	315.326	0.649	70	50	DCIA	
Cc1nnnn1[C@@H](C(=O)NCC1(C)COC1)c1ccccc1	217116228	ZSXQWPSBWNKYAV-CYBMUJFWSA-N	301.350	0.724	70	50	DCIA	
O=S(=O)(F)N1CCc2c(O)nnc(C(F)(F)F)c2C1	1875375282	XDUOLYNERKPBSX-UHFFFAOYSA-N	301.221	0.773	70	50	DCIA	
COC(=O)N[C@@H](C)C(=O)NCc1nc(-c2ccncc2)n[nH]1	218544885	BLUIEJMCYCVDNH-QMMMGPOBSA-N	304.310	0.227	70	50	DCIA	
Cc1cnc2c(Cl)c(C(=O)N[C@@H]3CCOC[C@H]3O)nn2c1	218182338	MEHYIRKOSGBFEZ-RKDXNWHRSA-N	310.741	0.571	70	50	DCIA	
CN(C)C(=O)c1ccc(CN2CCn3nc(CO)cc3C2)o1	217025573	PABUXNLRVSZEOZ-UHFFFAOYSA-N	304.350	0.686	70	50	DCIA	
COc1ccc(CCC(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1OC	216776998	DZYWXFFZHAALIH-KBPBESRZSA-N	323.389	0.838	70	50	DCIA	
O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1ccccn1	217053229	SYFVPBZDNXBRMW-CYBMUJFWSA-N	314.345	0.685	70	50	DCIA	
COCCN1CC[C@@H](CN(C)C(=O)c2n[nH]c(N)c2Cl)C1	217791040	OANFUQJIMWQBLM-VIFPVBQESA-N	315.805	0.686	70	50	DCIA	
N#C[C@@]1(F)CCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C1	1875381969	MLPPBXFCNIECNP-NSHDSACASA-N	317.273	0.752	70	50	DCIA	
Cc1c(C(=O)NCC[C@@H]2CCC(=O)N2CCN(C)C)cnn1C	216980893	ROPZQNWKCSVSKP-ZDUSSCGKSA-N	321.425	0.401	70	50	DCIA	
OCc1ccc(CN2CCCn3nc([C@H](O)CO)cc3C2)o1	217855841	CXKWTUIGLYFMTB-OAHLLOKOSA-N	307.350	0.400	70	50	DCIA	
O=C(CCn1cnnn1)N1CCCO[C@H](CN2CCCCC2)C1	217559054	MDIJGTKJAVFEMX-CQSZACIVSA-N	322.413	0.167	70	50	DCIA	
CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(OC)nc1OC	218678739	FBZUWUFMSKUWCB-NSHDSACASA-N	307.350	0.840	70	50	DCIA	
OC[C@@H](O)c1cc2n(n1)CCCN(CCc1cscn1)C2	217901623	MCKCBXQLYKDBSW-CQSZACIVSA-N	308.407	0.814	70	50	DCIA	
CC[S@@](C)(=O)=NC(=O)c1cncc(OS(=O)(=O)F)c1	1875385609	XLJBMTINLJDRPN-GOSISDBHSA-N	310.328	0.933	70	50	DCIA	
O=C(c1ccncc1O)N1CCC(N2CCC(O)CC2)CC1	217943681	MUZQSJJNEYIQML-UHFFFAOYSA-N	305.378	0.849	70	50	DCIA	
Nc1nnnn1CC(=O)NCc1nc2ccc(Cl)cc2[nH]1	217199655	WBKSVIXKCJPRAW-UHFFFAOYSA-N	306.717	0.101	70	50	DCIA	
O=C(NCC1=CCCOC1)c1cncc(OS(=O)(=O)F)c1	1875382277	XAXDVWBQAZVDRH-UHFFFAOYSA-N	316.310	0.751	70	50	DCIA	
CNC(=O)c1cc(NC2=CC(=O)N(C(C)=O)C2)ccc1OC	218457461	LSOWUTNZQNXJAU-UHFFFAOYSA-N	303.318	0.739	70	50	DCIA	
O=C(c1cnc2ccccc2n1)N1CCN(Cc2nnc[nH]2)CC1	218449303	YCSXSIKWDYIAKU-UHFFFAOYSA-N	323.360	0.706	70	50	DCIA	
CCCN(C[C@H]1CCCO1)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O	217713513	IXNZBEWHKSGEJX-LLVKDONJSA-N	309.366	0.332	70	50	DCIA	
O=C(c1cn2cccnc2n1)N1CCCn2nc(CO)cc2C1	216964227	LXFMGRVUXGMVRW-UHFFFAOYSA-N	312.333	0.464	70	50	DCIA	
CN1CCN(C(=O)c2ccc(OS(=O)(=O)F)cc2)CC1	1875375442	CZSHGRFBFIAGQW-UHFFFAOYSA-N	302.327	0.667	70	50	DCIA	
NC(=O)c1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cn1	161365551	UCNIOGLZDRMCSF-ZDUSSCGKSA-N	312.329	0.869	70	50	DCIA	
CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CO)o1	218271129	HOTRPZCMDRBBHZ-TZMCWYRMSA-N	312.366	0.237	70	50	DCIA	
COC(=O)c1sccc1Nc1c(N2CCOCC2)c(=O)c1=O	218419450	YSMKCYYISUYUAU-UHFFFAOYSA-N	322.342	0.711	70	50	DCIA	
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)[nH]c2ccnn2c1=O	218534677	DGZAMQHYARZLGV-ZWNOBZJWSA-N	320.393	0.787	70	50	DCIA	
O=C(Cn1ccccc1=O)N[C@@H]1CCOC[C@H]1OCC1CC1	218436356	LLCFPYZESFKEEE-ZIAGYGMSSA-N	306.362	0.549	70	50	DCIA	
CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(c1ncccc1F)C2	216728689	ZOVVETQYJPKBHN-NEPJUHHUSA-N	320.368	0.736	70	50	DCIA	
CCO[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@@H]1O	218767471	VFFIBMABHFBMTD-STQMWFEESA-N	323.780	0.930	70	50	DCIA	
Cc1cc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)nc(N)n1	217463830	CUHLNBDTSCDVDZ-ZDUSSCGKSA-N	319.409	0.552	70	50	DCIA	
C[C@@H](CC(=O)N1CC[C@@H](N)C1)S(=O)(=O)c1ccc(F)cc1	160213722	UIZWKWKSRWSBJX-CMPLNLGQSA-N	314.382	0.938	70	50	DCIA	
Cn1c(=O)c(CN2CCN(CCO)CC2)cc2ccccc21	218771092	SEZZXZATWHRXND-UHFFFAOYSA-N	301.390	0.648	70	50	DCIA	
NC(=O)c1cccc(N2CCN(Cc3ccco3)C[C@@H](O)C2)n1	216930761	PNLSUOJGOXEVAF-GFCCVEGCSA-N	316.361	0.457	70	50	DCIA	
O=C(CC[C@@H]1NC(=O)NC1=O)NCc1noc(C2CCCC2)n1	218198279	OFIBHSHQRPIROP-VIFPVBQESA-N	321.337	0.332	70	50	DCIA	
CN(CC(C)(C)CN1CCOCC1)C(=O)c1cc[nH]c(=O)c1	159621389	HBCXSMPXJXQEDE-UHFFFAOYSA-N	307.394	0.805	70	50	DCIA	
CSc1ncccc1C(=O)N1CCN(Cc2nnc[nH]2)CC1	217375746	KUBPNQJWKKDLJN-UHFFFAOYSA-N	318.406	0.880	70	50	DCIA	
O=C(COC[C@@H]1CCCCO1)NCc1cnn2cccnc12	217525408	IPADZOPLMAODMO-ZDUSSCGKSA-N	304.350	0.931	70	50	DCIA	
Nc1cccc(C(=O)N2CCC(N3CCC[C@@H](O)C3)CC2)n1	216944122	BCOOFEFKFGKLFW-CYBMUJFWSA-N	304.394	0.725	70	50	DCIA	
O=C(Cn1ccc2ccccc21)N[C@@H]1COCC[C@@H]1OCCO	218327469	COAYEBBJDTXJMQ-ZBFHGGJFSA-N	318.373	0.924	70	50	DCIA	
CC(C)(C)S(=O)(=O)CC(=O)N1CCN(CC2CC2)CC1	161183293	QDBXDDSHASULQF-UHFFFAOYSA-N	302.440	0.754	70	50	DCIA	
N[C@@H]1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1	160189108	VWZTYOPUJRVZGE-CQSZACIVSA-N	303.410	0.153	70	50	DCIA	
CCN(Cc1nc(COC)no1)C(=O)CN1CCC[C@H](O)C1	218415477	YBJAEHGXEVOUSC-NSHDSACASA-N	312.370	0.021	70	50	DCIA	
O=C(CN1CCCn2nc(CO)cc2C1)NCc1ccccn1	217748575	KMTZRLDXALIQPD-UHFFFAOYSA-N	315.377	0.293	70	50	DCIA	
CS(=O)(=O)NCC[C@H]1CCCCN1Cc1csnn1	159447833	OBADUFRWMRNIFN-LLVKDONJSA-N	304.441	0.832	70	50	DCIA	
CCO[C@@H]1COCC[C@H]1NC(=O)c1c[nH]c(=O)c(Cl)c1	218171787	SVAQYTBSNCJBOC-GHMZBOCLSA-N	300.742	0.952	70	50	DCIA	
Cc1cn2cc(C(=O)N3CCn4nc(CO)cc4C3)ccc2n1	217161138	VSHHLXSPRFRGFA-UHFFFAOYSA-N	311.345	0.988	70	50	DCIA	
CCc1nc(C)ccc1OCC(=O)NCc1c[nH]c(=O)[nH]c1=O	217398064	JFCWXFZGBYLLBG-UHFFFAOYSA-N	318.333	0.024	70	50	DCIA	
O=C(Nc1cncc(OS(=O)(=O)F)c1)C12CC(CO1)C2	1875387427	IFSNHQOTBFZYLB-UHFFFAOYSA-N	302.283	0.792	70	50	DCIA	
CCCCNC(=O)CN(C)c1cc(C2CC(N)C2)nc(N)n1	218477768	HCQHBURWWAIUDN-UHFFFAOYSA-N	306.414	0.616	70	50	DCIA	
O=C(Cn1nccn1)N[C@@H]1COCC[C@H]1OCc1ccccn1	218080068	RMFKNUSDXAWJAU-ZIAGYGMSSA-N	317.349	0.164	70	50	DCIA	
Cc1nnnn1CCC(=O)N1CCN(C)[C@H](c2ccccc2)C1	217639757	QORMYFOWLBZMMP-HNNXBMFYSA-N	314.393	0.887	70	50	DCIA	
O=S(=O)(F)c1ccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C2)cc1	1875366800	BZXWUGBMRPPOHR-DTORHVGOSA-N	323.367	0.394	70	50	DCIA	
CC(C)c1cc(C(=O)NCCN2CCCCC2=O)nc(N)n1	217962848	GNPLFBOBHKVSCF-UHFFFAOYSA-N	305.382	0.925	70	50	DCIA	
COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCC[C@@H](O)C1)CC2	218751919	CWXZRTOKQGSHDW-VHSXEESVSA-N	307.350	0.632	70	50	DCIA	
COCCN1CC[C@H](CN(C)C(=O)c2n[nH]c(N)c2Cl)C1	217791140	OANFUQJIMWQBLM-SECBINFHSA-N	315.805	0.686	70	50	DCIA	
C[C@H](NC1CCN(S(=O)(=O)F)CC1)c1nnnn1C1CC1	2325890182	OOZLRQGEUURTIX-QMMMGPOBSA-N	318.378	0.337	70	50	DCIA	
CC[C@@H](C)[C@@H](CO)NC(=O)C1CCN(c2ccc(=O)[nH]n2)CC1	218351051	PFIKDERFBTVWIA-DGCLKSJQSA-N	322.409	0.510	70	50	DCIA	
Cc1ccnn1CCC(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1	218381616	PQZSXQKSYFWDMD-LDZOIKDWSA-N	317.393	0.944	70	50	DCIA	
COc1ccc(-c2nnn(CCS(=O)(=O)F)n2)cc1OC	883953402	UGTYYENDNDPHLB-UHFFFAOYSA-N	316.314	0.657	70	50	DCIA	
CO[C@H]1CC[C@H]1N(C)C(=O)c1cncc(OS(=O)(=O)F)c1	1875382136	SASRAJKKBQCFIG-MNOVXSKESA-N	318.326	0.924	70	50	DCIA	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1ccc2nonc2c1	218736400	GBCOVGJGZWQXCR-JTQLQIEISA-N	307.331	0.787	70	50	DCIA	
CNC(=O)[C@H](NC(=O)CCN1CCOCC1)c1ccccc1	218698465	NLYCKMBNIDEQMA-OAHLLOKOSA-N	305.378	0.312	70	50	DCIA	
CCNC(=O)N1CCC(NC(=O)c2cc(CO)ccn2)CC1	218167988	DYBSXNPRTFAKGL-UHFFFAOYSA-N	306.366	0.498	70	50	DCIA	
Cc1ccc(C(=O)CCN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1	160276832	CMAMBAFROACLTK-CQSZACIVSA-N	315.373	0.210	70	50	DCIA	
CN(C[C@@H]1CCCO1)C(=O)c1cncc(OS(=O)(=O)F)c1	1875382321	YBRFOWRQIPCCFJ-JTQLQIEISA-N	318.326	0.926	70	50	DCIA	
Cc1cc(CC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)on1	217173945	VBPBGXKIYPWGAX-AWEZNQCLSA-N	320.349	0.180	70	50	DCIA	
Cc1cc(N)n(CC(=O)N2CCC[C@@H](Cn3ccnc3)C2)n1	216955612	WIVLQXLVDMJCLP-ZDUSSCGKSA-N	302.382	0.909	70	50	DCIA	
CCc1ncc(CN2CCN(CCN3CCOCC3)CC2)cn1	217775472	QSLGWUYGKFYGIH-UHFFFAOYSA-N	319.453	0.489	70	50	DCIA	
COc1ccnc(N2CCC(C(=O)N3CCC[C@H]3CN)CC2)n1	160200934	VDIFEMRPHFQRII-ZDUSSCGKSA-N	319.409	0.651	70	50	DCIA	
CS(=O)(=O)c1ccc(CN2CCn3nc(CO)cc3C2)cc1	217125556	PKDRTEFWZYLSSO-UHFFFAOYSA-N	321.402	0.795	70	50	DCIA	
CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCn1nnnc1C	218259604	JTFLRODTDJLNLG-ZIAGYGMSSA-N	323.397	0.628	70	50	DCIA	
CC(C)n1cncc1CN1CCN(CCN(C)C)C[C@@H](O)C1	217752794	IRXIFVVQWLQTTQ-MRXNPFEDSA-N	309.458	0.504	70	50	DCIA	
Cc1oncc1C(=O)NC1CCN(C(=O)N2CCOCC2)CC1	217696475	DFNAVNZHLBADHL-UHFFFAOYSA-N	322.365	0.629	70	50	DCIA	
Cc1[nH]c2ccnn2c(=O)c1CCC(=O)N[C@H](CO)C(C)C	218545937	FQBWTHHKTKIOHL-GFCCVEGCSA-N	306.366	0.397	70	50	DCIA	
CN1C[C@@]2(CCCN(C(=O)C(=O)c3cccn3C)C2)OC1=O	216907703	OLGFIICSGVXDIS-OAHLLOKOSA-N	305.334	0.651	70	50	DCIA	
CN1CCCN(CC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)CC1	217901116	QGDRGNWHWDWPAI-KRWDZBQOSA-N	322.453	0.095	70	50	DCIA	
O=C(CN1C(=O)CNC1=O)NCc1cc(-c2ccccc2)n[nH]1	217084463	GNYPZCDBSGYWPF-UHFFFAOYSA-N	313.317	0.245	70	50	DCIA	
Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1c[nH]nc1-n1cnnn1	217197727	XJOARYQZGPKMCT-ZCFIWIBFSA-N	301.314	0.216	70	50	DCIA	
CCn1c(=O)c2cc(S(=O)(=O)F)ccc2n(CC)c1=O	675066474	KQBJVIBSJHDZPX-UHFFFAOYSA-N	300.311	0.861	70	50	DCIA	
CC(C)(C)OC(=O)N1CC2(CC(=O)O[C@H]2CS(=O)(=O)F)C1	757216662	HHKOWCYADYUYBX-QMMMGPOBSA-N	323.342	0.838	70	50	DCIA	
OC[C@H](O)c1cc2n(n1)CCN(CCCc1cccnc1)C2	217380894	SMIPWUGYVPQOMR-INIZCTEOSA-N	302.378	0.752	70	50	DCIA	
O=C(CCn1cnnn1)NCc1cnn(Cc2ccccc2)c1	217177401	NYUGQJGFHXAYSM-UHFFFAOYSA-N	311.349	0.624	70	50	DCIA	
Cc1cccc(=O)n1CCCNC(=O)COC[C@@H]1CCCO1	218187475	BANVYMVCZBMFFZ-AWEZNQCLSA-N	308.378	0.859	70	50	DCIA	
CN(C[C@@H]1COCCO1)C(=O)Cn1nnc(-c2ccccc2)n1	217152380	UCXYFRGPAMKJFT-CYBMUJFWSA-N	317.349	0.214	70	50	DCIA	
Cc1nnnn1CCC(=O)NCc1ccc2c(c1)nc(C)n2C	218249989	BGUCWBJLAMPSIT-UHFFFAOYSA-N	313.365	0.883	70	50	DCIA	
O=C(c1ncc(F)cc1F)N1CCn2nc([C@@H](O)CO)cc2C1	217683396	OYSPALZOBMOBLA-LBPRGKRZSA-N	324.287	0.238	70	50	DCIA	
CC[C@@H]1OCC[C@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875384352	FUZTZLHQQAGEDB-MNOVXSKESA-N	318.326	0.972	70	50	DCIA	
OC[C@H](O)c1cc2n(n1)CCCN(CCc1cscn1)C2	217901678	MCKCBXQLYKDBSW-AWEZNQCLSA-N	308.407	0.814	70	50	DCIA	
O=C(Cn1ccnn1)N[C@@H]1COCC[C@H]1Oc1ccccn1	218089957	JTODRCNOWACYLL-VXGBXAGGSA-N	303.322	0.026	70	50	DCIA	
Cc1cc(S(=O)(=O)NCC(=O)N[C@H]2CCOC2)ccc1F	217002759	GZRPWCKPMMRYGE-JTQLQIEISA-N	316.354	0.318	70	50	DCIA	
CC(C)[C@@H](C(=O)NCCCN)N1C(=O)c2ccccc2C1=O	160114931	JKGXIUNXTMQGBV-ZDUSSCGKSA-N	303.362	0.772	70	50	DCIA	
CCc1nc(C)c(CC(=O)NCc2nnc3n2CCC3)c(=O)[nH]1	218748962	PKBMKTVQIADXRF-UHFFFAOYSA-N	316.365	0.037	70	50	DCIA	
C[C@]1(C(=O)N2CCN(c3ccnc4nncn34)CC2)CCCO1	218345772	FLPJNSSLDSCCKF-OAHLLOKOSA-N	316.365	0.342	70	50	DCIA	
COC(=O)[C@@H]1C[C@H](S(=O)(=O)F)CN1C(=O)c1cccs1	1615057949	WEUXBVPYZUAUHR-YUMQZZPRSA-N	321.351	0.804	70	50	DCIA	
Cc1nnc([C@H](C)NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1	218627468	LIJFBOSTOVVSMG-LURJTMIESA-N	315.289	0.399	70	50	DCIA	
COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1-n1cnnn1	218462060	HDFLINNLNDQUAY-UHFFFAOYSA-N	314.305	0.355	70	50	DCIA	
CC(C)Cc1cc(C(=O)NCCN2CCNC2=O)nc(N)n1	217936618	VFERPJZPICAJLB-UHFFFAOYSA-N	306.370	0.012	70	50	DCIA	
Cc1nc(N)ncc1C(=O)N1CCCn2nc([C@H](C)O)cc2C1	217449841	BQOYSWOVJJMCHG-JTQLQIEISA-N	316.365	0.663	70	50	DCIA	
CNc1cc(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)ccn1	217120149	FECUFLACXGGMDC-ZDUSSCGKSA-N	317.349	0.002	70	50	DCIA	
O=C(CN1Cc2ccccc2C1)N1CCn2nc(CO)cc2C1	217746354	CXVOGZLFOOFZEH-UHFFFAOYSA-N	312.373	0.733	70	50	DCIA	
Cc1nc(C2CC(O)C2)cc(N2CC(N3CCOCC3)C2)n1	218498580	XXOALZZHLJLNDJ-UHFFFAOYSA-N	304.394	0.544	70	50	DCIA	
Cc1[nH]c2ccccc2c1CC(=O)NCc1c[nH]c(=O)[nH]c1=O	217684069	BNAASLOVVNAJRN-UHFFFAOYSA-N	312.329	0.712	70	50	DCIA	
CC(C)[C@@H](CC(N)=O)c1oc(CN2CCOCC2)cc(=O)c1O	218007863	LDVOVTYRZAYLBL-GFCCVEGCSA-N	324.377	0.793	70	50	DCIA	biogenic
CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(=O)n(C)n1	218003778	CCNQWAAYRCWXPU-TZMCWYRMSA-N	321.377	0.650	70	50	DCIA	
CC(C)[C@H](NC(=O)CN1CCCN(C)CC1)c1ncnn1C	218290178	DUHMVFQSQCRADA-AWEZNQCLSA-N	308.430	0.266	70	50	DCIA	
Cc1nc(NCCN2CCC(O)CC2)cc(C2CC(O)C2)n1	218459108	NPDOICRTNRALPH-UHFFFAOYSA-N	306.410	0.892	70	50	DCIA	
Nc1nc(NCCN2CCCOC2=O)cc(C2CC(N)C2)n1	218746885	RCYLONRIJXHCDQ-UHFFFAOYSA-N	306.370	0.518	70	50	DCIA	
CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCNCC2)c1	159389691	VMXPVQXYIDKCRI-UHFFFAOYSA-N	300.355	0.665	70	50	DCIA	
CS(=O)(=O)CCC(=O)N[C@@H]1COCC[C@@H]1OCC1CCC1	218536072	WCIYENNUFRDWLH-OLZOCXBDSA-N	319.423	0.512	70	50	DCIA	
O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@H]1COCCO1	1875385651	YARLILHIGXJGGX-SNVBAGLBSA-N	305.283	0.634	70	50	DCIA	
COC(=O)[C@@H]1C[C@H](S(=O)(=O)F)CN1C(=O)c1ccccc1	1615056898	NWGSAUHYVQQMRD-QWRGUYRKSA-N	315.322	0.742	70	50	DCIA	
CN1CCC(N2CCN(C(=O)c3ccncc3O)CC2)CC1	217719805	XSJLCYSUNDJLDR-UHFFFAOYSA-N	304.394	0.639	70	50	DCIA	
C[C@@H](NC1CCN(S(=O)(=O)F)CC1)c1nnnn1C1CC1	2325890181	OOZLRQGEUURTIX-MRVPVSSYSA-N	318.378	0.337	70	50	DCIA	
O=C([C@@H](O)c1ccccc1Cl)N1CC(N2CCOCC2)C1	218525098	LFNPZPWKICCAEE-AWEZNQCLSA-N	310.781	0.916	70	50	DCIA	
COc1ccc(CCC(=O)N[C@@H]2CCOC[C@H]2O)cc1OC	218018532	HQLMVJAJTNTYAZ-CHWSQXEVSA-N	309.362	0.902	70	50	DCIA	
CN(C)c1ncc(Br)cc1C(=O)N1CC(O)C1	161471038	AZFZECOQPPLNHX-UHFFFAOYSA-N	300.156	0.727	70	50	DCIA	
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H]1c1nccs1	217197297	CSTGAZDGDSZHRU-SNVBAGLBSA-N	320.374	0.734	70	50	DCIA	
COC[C@@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)c1ccnn1C	218223243	ZWBKRSFYMFSMTD-GFCCVEGCSA-N	319.365	0.167	70	50	DCIA	
CC(C)c1cc(C(=O)N2CCN(CCCCO)CC2)nc(N)n1	217004882	VUGMXOUVHYSMBU-UHFFFAOYSA-N	321.425	0.713	70	50	DCIA	
O=C(c1cncc(OS(=O)(=O)F)c1)N1CCOC[C@@H]1CF	1875385673	YSWFLCGKPHUWFP-VIFPVBQESA-N	322.289	0.485	70	50	DCIA	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1594217974	CAWARVUFJMUKAJ-HZGVNTEJSA-N	304.299	0.751	70	50	DCIA	
Cc1cc(CC(=O)N2CCCn3nc([C@H](O)CO)cc3C2)on1	217173951	VBPBGXKIYPWGAX-CQSZACIVSA-N	320.349	0.180	70	50	DCIA	
O=C(NC1CCS(=O)(=O)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2N1	217896813	HISCHVSXBTYJSH-WXHSDQCUSA-N	300.424	0.601	70	50	DCIA	
Cc1nonc1CNC(=O)c1cncc(OS(=O)(=O)F)c1	1875385345	RCHCXEBZZHXQQJ-UHFFFAOYSA-N	316.270	0.296	70	50	DCIA	
O=C(N1CCCn2nc(CO)cc2C1)C1(Cn2ccnc2)CC1	217584506	VDUWJKWNWIHOTQ-UHFFFAOYSA-N	315.377	0.785	70	50	DCIA	
COCCN1C[C@H](NC(=O)CCc2cccc(OC)c2)CC1=O	218762232	JTCVUEKAMMQTJA-CQSZACIVSA-N	320.389	0.991	70	50	DCIA	
O=C1CN(c2ccc(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)cc2)C(=O)N1	218504478	FCQBZZFQNHKUQE-AGIUHOORSA-N	315.329	0.650	70	50	DCIA	
CN(Cc1nccs1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	217182128	JMFYRPJIUYLNNU-UHFFFAOYSA-N	316.342	0.945	70	50	DCIA	
CNc1nc(N2CCCn3nc([C@@H](O)CO)cc3C2)ncc1F	217180238	QZANRTQVBNRBKD-LBPRGKRZSA-N	322.344	0.290	70	50	DCIA	
O=C1CCCN1CCC1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1	217685840	BUBLNCXEJCLQMM-UHFFFAOYSA-N	306.366	0.568	70	50	DCIA	
O=C(CN1CCOC1=O)NCc1noc(-c2ccccc2)n1	218488877	APJIHLDMXJYVSA-UHFFFAOYSA-N	302.290	0.805	70	50	DCIA	
CC1(C)OCC[C@@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875384627	HOXRXAUWOAJRER-JTQLQIEISA-N	318.326	0.972	70	50	DCIA	
Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C3CC3)C2)n1	218574992	QWBJLJSWJAKUDK-MGCOHNPYSA-N	316.365	0.813	70	50	DCIA	
O=C(c1cccc2c1OCCO2)N1CCn2nc(CO)cc2C1	216981126	UTFHFQQBFYWWSP-UHFFFAOYSA-N	315.329	0.803	70	50	DCIA	
Cc1ncc(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c(=O)[nH]1	218428083	FHMGURUGZSHXMG-KGLIPLIRSA-N	321.377	0.321	70	50	DCIA	
CCCO[C@@H]1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1	217549568	KWBDSOOQNLWLGO-GFCCVEGCSA-N	309.366	0.344	70	50	DCIA	
COCCN1C[C@@H](NC(=O)CCc2cccc(OC)c2)CC1=O	218762188	JTCVUEKAMMQTJA-AWEZNQCLSA-N	320.389	0.991	70	50	DCIA	
O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1ccc2nonc2c1	218736452	GBCOVGJGZWQXCR-SNVBAGLBSA-N	307.331	0.787	70	50	DCIA	
Cc1nnnn1CCC(=O)NC[C@@H]1OCCc2ccccc21	217333920	WHUZANVZTRSSQS-AWEZNQCLSA-N	301.350	0.802	70	50	DCIA	
CCS(=O)(=O)[C@@H](C)C(=O)N1CCC(c2nnc[nH]2)CC1	217988797	QUEDCJKFRBOZCU-VIFPVBQESA-N	300.384	0.334	70	50	DCIA	
CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1cccnc1	216939032	XZAJQGVQQAZRSD-CQSZACIVSA-N	311.407	0.207	70	50	DCIA	
CN(C)[C@@H]1[C@@H](NC(=O)Cc2nc3ccccc3[nH]2)[C@H]2CCO[C@H]21	218268952	LOWFIAGKLZULEE-ITDAGMBRSA-N	314.389	0.939	70	50	DCIA	
Cc1cccc(=O)n1CCCNC(=O)COC[C@H]1CCCO1	218187565	BANVYMVCZBMFFZ-CQSZACIVSA-N	308.378	0.859	70	50	DCIA	
CN1CCN(C)C1=NC(=O)c1cncc(OS(=O)(=O)F)c1	1875384603	GTXIYQWWZHCFPV-UHFFFAOYSA-N	316.314	0.048	70	50	DCIA	
Cc1ccc2c(c1)C[C@@H](C(=O)NCc1nc(C(N)=O)no1)N2	218407920	BLZFFYQSLAUEBK-JTQLQIEISA-N	301.306	0.130	70	50	DCIA	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	952884974	WKGRUIAQXKMDFN-DTWKUNHWSA-N	320.342	0.597	70	50	DCIA	
CCS(=O)(=O)[C@H](C)C(=O)N1CCC(c2nnc[nH]2)CC1	217988878	QUEDCJKFRBOZCU-SECBINFHSA-N	300.384	0.334	70	50	DCIA	
CCc1nnc(CNC(=O)Cn2c(=O)oc3ccccc32)o1	218016896	BASAZRYHZXPCGO-UHFFFAOYSA-N	302.290	0.856	70	50	DCIA	
C[C@@H](C(=O)NCCc1noc(C(F)(F)F)n1)n1cncn1	217836533	IAMHSQWEXSOOFX-LURJTMIESA-N	304.232	0.600	70	50	DCIA	
CC[C@H]1COC[C@@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875385175	NSRXEAHGVGLRNW-KWQFWETISA-N	318.326	0.830	70	50	DCIA	
O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nccs1	217947127	DOZKYSZLRIOTGF-JTQLQIEISA-N	320.374	0.747	70	50	DCIA	
CN(C)C(=O)NCC(=O)NCCc1nc(-c2ccccc2)n[nH]1	218084287	JQIUZBSHCWWZBY-UHFFFAOYSA-N	316.365	0.402	70	50	DCIA	
O=C(Cn1c(=O)oc2ccccc21)NCCN1CCCOC1=O	218270782	PDYZAKKYURJAGJ-UHFFFAOYSA-N	319.317	0.553	70	50	DCIA	
COc1c[nH]c(C(=O)N2CCCn3nc(CO)cc3C2)cc1=O	217187099	NTTDKKXPTZKTEC-UHFFFAOYSA-N	318.333	0.118	70	50	DCIA	
CCCN1C(=O)N[C@H](CC(=O)NCCc2cccnc2)C1=O	217137727	BSRSLQHUUDQRES-GFCCVEGCSA-N	304.350	0.461	70	50	DCIA	
CC[C@H]1COC[C@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875385173	NSRXEAHGVGLRNW-GZMMTYOYSA-N	318.326	0.830	70	50	DCIA	
Cc1noc(CCNC(=O)C[C@@H]2Oc3ccccc3NC2=O)n1	218286846	DMTSXTLPFINLEQ-LBPRGKRZSA-N	316.317	0.827	70	50	DCIA	
Nc1cc(O)nc(CCNC(=O)[C@H](O)c2ccccc2Cl)n1	217408515	TZXAFPDLPFRADQ-CYBMUJFWSA-N	322.752	0.810	70	50	DCIA	
O=C(COCc1ccccc1)N1CCn2nc(CO)cc2C1	217546002	ZKUGNHNAMPNIKH-UHFFFAOYSA-N	301.346	0.934	70	50	DCIA	
COc1nc(C)c(C(=O)N2CCn3nc(CO)cc3C2)s1	217094494	TWMPNLPETXMODW-UHFFFAOYSA-N	308.363	0.805	70	50	DCIA	
Cc1nc([C@H](C)NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c(C)s1	217372673	OHBZZPWNVQMURT-ZETCQYMHSA-N	322.390	0.865	70	50	DCIA	
Cc1cc(N2CCCN(C(=O)C3=NNC(=O)CC3)CC2)ccn1	217444822	CZXPTFLGFWKWBA-UHFFFAOYSA-N	315.377	0.695	70	50	DCIA	
CN(Cc1ccc(OS(=O)(=O)F)cc1)[C@@H]1CCNC1=O	1875387452	ISEHXQDMWVHTDG-LLVKDONJSA-N	302.327	0.600	70	50	DCIA	
O=C(CN1CCOCC1)N[C@@H]1CCCN(Cc2cccnc2)C1	218235613	LOXNMDLLCWOQIJ-MRXNPFEDSA-N	318.421	0.494	70	50	DCIA	
O=C(NCCN1CCC(O)CC1)[C@@H](O)c1ccc(Cl)cc1	217342458	BRGHILWDMNOARK-AWEZNQCLSA-N	312.797	0.946	70	50	DCIA	
C[C@H]1CN(S(=O)(=O)NC[C@@H](N)c2ccccc2)C[C@@H](C)O1	217840448	OQMRTSYLFSENPN-MBNYWOFBSA-N	313.423	0.630	70	50	DCIA	
CCN(C)CCCN1CCN(c2cc(O)ncn2)C[C@@H](O)C1	217803111	FLYSXVKPNFMYJG-ZDUSSCGKSA-N	309.414	0.007	70	50	DCIA	
O=C([C@H](O)c1ccccc1Cl)N1CC(N2CCOCC2)C1	218525181	LFNPZPWKICCAEE-CQSZACIVSA-N	310.781	0.916	70	50	DCIA	
Cn1cnnc1CCC(=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1	218649421	XCPWJAAKBCCKOF-MKBNYLNASA-N	315.377	0.771	70	50	DCIA	
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1nn(C)cc1Cl)C2	217954939	VXAWCODTTIRIJG-MRVPVSSYSA-N	309.757	0.979	70	50	DCIA	
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H]1c1nccs1	217197304	CSTGAZDGDSZHRU-JTQLQIEISA-N	320.374	0.734	70	50	DCIA	
Cc1ccc2c(c1)C[C@H](C(=O)NCc1nc(C(N)=O)no1)N2	218408002	BLZFFYQSLAUEBK-SNVBAGLBSA-N	301.306	0.130	70	50	DCIA	
NC(=O)NC1(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)CC1	160159242	ORTDLFWVFPJVRK-KRWDZBQOSA-N	315.373	0.888	70	50	DCIA	
CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)Cc1ccccn1)C2	216954698	YJUSKWUWUHZBAL-OCCSQVGLSA-N	323.418	0.507	70	50	DCIA	
CCc1nc(C)c(CC(=O)NCCc2ccncc2)c(=O)[nH]1	217205881	XTDZGOFPXXMAPS-UHFFFAOYSA-N	300.362	0.937	70	50	DCIA	
O=C(CN1CCCC1=O)Nc1cccc(OS(=O)(=O)F)c1	1875368513	XHZRBHVSTSHOMZ-UHFFFAOYSA-N	316.310	0.841	70	50	DCIA	
Cn1c(CO)nnc1C1CCN(C(=O)c2ccc(N)nc2)CC1	217191317	LMCPSHLHIYAERY-UHFFFAOYSA-N	316.365	0.304	70	50	DCIA	
CCCNC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)F)c1	2325885344	MVZISSYNQJNMHU-UHFFFAOYSA-N	316.354	0.943	70	50	DCIA	
C[C@@]1(C(=O)N2CCN(c3ccnc4nncn34)CC2)CCCO1	218345716	FLPJNSSLDSCCKF-HNNXBMFYSA-N	316.365	0.342	70	50	DCIA	
COC(=O)N[C@H](C)C(=O)NCc1csc(-c2ncccn2)n1	218010022	WTORTZGIRGVZMK-MRVPVSSYSA-N	321.362	0.961	70	50	DCIA	
CN1C[C@]2(CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)OC1=O	217102612	BURQXPHOPBQNGO-INIZCTEOSA-N	317.345	0.530	70	50	DCIA	
O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cc(O)no1	218117353	BLYIIVLBPUHPFK-MWLCHTKSSA-N	305.290	0.742	70	50	DCIA	
CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(Cn2cnnn2)cc1	218132624	USEJRRNSSFZNCF-BXUZGUMPSA-N	303.366	0.858	70	50	DCIA	
COc1ccc2nnc(CCC(=O)N[C@H](CO)C(C)C)n2n1	218139852	UHQDERVAAASHHL-SNVBAGLBSA-N	307.354	0.199	70	50	DCIA	
O=S(=O)(F)CCCS(=O)(=O)Nc1ccc(F)cn1	170608103	QKMQFSGWPDCHBY-UHFFFAOYSA-N	300.308	0.652	70	50	DCIA	
Cn1c(Cn2cnc3c(cnn3C)c2=O)nnc1-c1ccccc1	161000813	BLMCMKSIRKVIQA-UHFFFAOYSA-N	321.344	0.974	70	50	DCIA	
C[C@@]1(c2ccc(C(=O)N3CCC[C@H]3CN)cc2)NC(=O)NC1=O	160172728	JAQHYKCWEXDXAG-LRDDRELGSA-N	316.361	0.305	70	50	DCIA	
CN(C(=O)c1cncc(OS(=O)(=O)F)c1)[C@@H]1CCCOC1	1875384296	DMIYURZHCMECDG-SNVBAGLBSA-N	318.326	0.926	70	50	DCIA	
CN1CCCN(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1	216846945	JPIMKDXJQCGSGV-CQSZACIVSA-N	305.426	0.753	70	50	DCIA	
CN1Cc2ccccc2N(CC(=O)N[C@@H]2COCC[C@H]2O)C1=O	218035671	LJIJPNGAJRUMPR-TZMCWYRMSA-N	319.361	0.324	70	50	DCIA	
O=C(COC[C@@H]1CCCO1)Nc1ncc(S(=O)(=O)F)s1	585126470	ZUKWFRTYROGYBG-ZETCQYMHSA-N	324.355	0.935	70	50	DCIA	
Cc1ccc2c(c1)c(CNC(=O)CN1CCC[C@@H](O)C1)nn2C	218728314	ZZSDZLGEQQPWEQ-CYBMUJFWSA-N	316.405	0.955	70	50	DCIA	
CC(=O)N1CCN(c2ccc(OS(=O)(=O)F)cc2)CC1	1875374480	SHKJCVOVIBCROB-UHFFFAOYSA-N	302.327	0.948	70	50	DCIA	
CN(C[C@@H]1COCCO1)C(=O)CSc1nnc(N)s1	217178216	PDLCHEQAKHRJRE-SSDOTTSWSA-N	304.397	0.086	70	50	DCIA	
O=C(CN1CCn2nc([C@@H](O)CO)cc2C1)N1CCCCCC1	217206149	WLSFTBMSEJUAJP-HNNXBMFYSA-N	322.409	0.127	70	50	DCIA	
CC(C)c1cc(C(=O)NCc2nnc3n2CCC3)nc(N)n1	217569765	SVOGPAYJVULRPH-UHFFFAOYSA-N	301.354	0.650	70	50	DCIA	
O=C(CN1CCOCC1)N1CCC([C@H](O)c2ccccn2)CC1	218523786	LNORIRAYGXQGJY-KRWDZBQOSA-N	319.405	0.686	70	50	DCIA	
Cc1cc(C)n(CC(=O)N(C)CCN2CCCCC2=O)c(=O)n1	218284732	DBXAVYZGXGQEPX-UHFFFAOYSA-N	320.393	0.331	70	50	DCIA	
Cc1cc(C(=O)N2CCN(Cc3nccn3C)CC2)cc(=O)[nH]1	217132095	CQCKDUBNPAEHOS-UHFFFAOYSA-N	315.377	0.375	70	50	DCIA	
Cn1nc(C(=O)N2CCn3nc(CO)cc3C2)c2ccccc21	217079804	GZAPMQYCGTZLTB-UHFFFAOYSA-N	311.345	0.918	70	50	DCIA	
CSCC[C@@H](CO)NC(=O)C1CCN(c2ncccn2)CC1	218142983	ZMUGGNLVIBHAGO-ZDUSSCGKSA-N	324.450	0.923	70	50	DCIA	
O=C(c1nc2cccnc2[nH]1)N1CCCn2nc(CO)cc2C1	217497629	LPWICHVLUMWSMG-UHFFFAOYSA-N	312.333	0.693	70	50	DCIA	
CCCn1cnnc1CN(C)c1cc(C2CC(N)C2)nc(N)n1	218739164	TXFIXXQSSGGQJH-UHFFFAOYSA-N	316.413	0.901	70	50	DCIA	
C[C@H]1CO[C@@H](CNC(=O)c2cncc(OS(=O)(=O)F)c2)C1	1875382878	VLZYOHVANHFNFJ-PSASIEDQSA-N	318.326	0.830	70	50	DCIA	
Cc1nc2[nH]cc(C(=O)N(C)[C@@H](C)c3ccncc3)c(=O)n2n1	217382445	ZRPXKFPOKRORRV-VIFPVBQESA-N	312.333	0.954	70	50	DCIA	
C[C@H]1COCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C1	1875385537	VQKJKACAJNPQAS-SECBINFHSA-N	318.326	0.783	70	50	DCIA	
CC(=O)N1CC(Nc2ccc3c(c2)nc(O)c(=O)n3C)=CC1=O	218473582	YDTZSSOGUMBMPJ-UHFFFAOYSA-N	314.301	0.324	70	50	DCIA	
O=C(CN1C(=O)CNC1=O)NCc1nc2ccc(Cl)cc2[nH]1	217145917	LJYBOMDLENOJBJ-UHFFFAOYSA-N	321.724	0.384	70	50	DCIA	
CN(C[C@H]1COCCO1)C(=O)CSc1nnc(N)s1	217178224	PDLCHEQAKHRJRE-ZETCQYMHSA-N	304.397	0.086	70	50	DCIA	
C[C@H](C(=O)NCc1c[nH]c(=O)[nH]c1=O)n1cnc2ccccc21	217192559	RIHFZGYQFNBGES-SECBINFHSA-N	313.317	0.290	70	50	DCIA	
CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1cccnc1	216939005	XZAJQGVQQAZRSD-AWEZNQCLSA-N	311.407	0.207	70	50	DCIA	
CC(C)C1=NO[C@H](C(=O)NCc2nc(-c3cnccn3)n[nH]2)C1	217649881	ZVKYTNDWJHJNSM-NSHDSACASA-N	315.337	0.679	70	50	DCIA	
O=C(N=c1[nH]ncs1)c1ccc(OS(=O)(=O)F)cc1	1875376091	ZJCKEBAXHNEREV-UHFFFAOYSA-N	303.296	0.805	70	50	DCIA	
O=C(/C=C/c1ccccc1)N1CCn2nc([C@@H](O)CO)cc2C1	217845164	FIGGBMDOOPEHLT-MOEXGYKKSA-N	313.357	0.964	70	50	DCIA	
O=C(NCCc1cnccn1)c1cc(=O)n(-c2ccccc2)[nH]1	217061069	GGTVKNRVKJQXSK-UHFFFAOYSA-N	309.329	0.928	70	50	DCIA	
Cc1nccn1CCCNC(=O)CN(C)C1CCN(C)CC1	218692425	HHDAPOODQXCJEW-UHFFFAOYSA-N	307.442	0.724	70	50	DCIA	
O=C(c1cnccn1)N1CCC(N[C@@H]2C[C@@H]3OCC[C@@H]32)CC1	217574535	UEGQZNXLNNOYKB-NFAWXSAZSA-N	302.378	0.848	70	50	DCIA	
O=C(c1cncc(OS(=O)(=O)F)c1)N1CCO[C@@H](CF)C1	1875385262	POSPHXFFVNXBKY-JTQLQIEISA-N	322.289	0.485	70	50	DCIA	
O=C(N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1)c1cc[nH]n1	218332868	CXIHLUABDZXUCV-HUUCEWRRSA-N	317.345	0.868	70	50	DCIA	
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1nnc2ccc(OC)nn12	218416874	KAJNERURVOJQCN-GHMZBOCLSA-N	321.381	0.589	70	50	DCIA	
COC(=O)N1CCCC[C@@H]1C(=O)NCc1nnc2ccccn12	218769344	GDSPJHFZJTXPHZ-LLVKDONJSA-N	317.349	0.966	70	50	DCIA	
Cn1cnnc1CCC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1	218649348	XCPWJAAKBCCKOF-XHBSWPGZSA-N	315.377	0.771	70	50	DCIA	
C[C@@H]1CO[C@H](CNC(=O)c2cncc(OS(=O)(=O)F)c2)C1	1875382881	VLZYOHVANHFNFJ-WPRPVWTQSA-N	318.326	0.830	70	50	DCIA	
Nc1nc(CCNC(=O)Cn2c(=O)oc3ccccc32)cs1	218096619	CMHIEURXABIEQU-UHFFFAOYSA-N	318.358	0.992	70	50	DCIA	
O=C(CSCCN1CCCC1)N1CCn2nc(CO)cc2C1	218778067	JUQJWNCYQPJQJR-UHFFFAOYSA-N	324.450	0.547	70	50	DCIA	
Cc1cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)nc(N)n1	217463907	CUHLNBDTSCDVDZ-CYBMUJFWSA-N	319.409	0.552	70	50	DCIA	
C#C[C@@H]1COCCN1C(=O)c1cncc(OS(=O)(=O)F)c1	1875385665	YLMFGRQDUXIYBP-SNVBAGLBSA-N	314.294	0.149	70	50	DCIA	
Cn1ccc(NS(=O)(=O)c2ccccc2S(=O)(=O)F)n1	242048041	VSFXAGYDKRMHDJ-UHFFFAOYSA-N	319.339	0.879	70	50	DCIA	
COc1ccc(S(=O)(=O)F)cc1[C@]1(C)NC(=O)NC1=O	675066352	IMTWTWQNKYILKD-NSHDSACASA-N	302.283	0.408	70	50	DCIA	
CC(=O)N[C@@H]1[C@@H](NC(=O)NCCc2ccccc2)[C@H]2CCO[C@H]21	218731113	HWELGGWMHAHXPU-QKPAOTATSA-N	317.389	0.820	70	50	DCIA	
O[C@@H]1CN(c2cnccn2)CCN(c2ncnc3[nH]ccc23)C1	217057002	DRSZYPTXBDSWBR-LLVKDONJSA-N	311.349	0.435	70	50	DCIA	
Cc1ccc(C(=O)CCN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1	160276988	CMAMBAFROACLTK-AWEZNQCLSA-N	315.373	0.210	70	50	DCIA	
CCCN(C[C@@H]1CCCO1)C(=O)CCn1ccc(=O)[nH]c1=O	217074157	OTXWHZZSNLXFKN-LBPRGKRZSA-N	309.366	0.344	70	50	DCIA	
CCOC(C)(C)C(=O)N1CCCn2nc([C@@H](O)CO)cc2C1	217179391	QJLBNRKYYOEZCY-ZDUSSCGKSA-N	311.382	0.456	70	50	DCIA	
C[C@H]1[C@H](O)CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1	1875385252	PITYVUITEAGMCD-GZMMTYOYSA-N	318.326	0.660	70	50	DCIA	
CN(C(=O)c1cncc(OS(=O)(=O)F)c1)[C@]1(C)CCOC1	1875385220	OUXIAMIQMMSKGI-GFCCVEGCSA-N	318.326	0.926	70	50	DCIA	
CN1C[C@H](NS(=O)(=O)Cc2cccc(F)c2)CCC1=O	160047730	VAFWNMICCCFVMK-GFCCVEGCSA-N	300.355	0.866	70	50	DCIA	
O=C(Cn1ncnn1)N[C@@H]1COCC[C@@H]1OCc1ccccc1	218141524	KLCMXMPWUXXYJL-KGLIPLIRSA-N	317.349	0.164	70	50	DCIA	
COC(=O)[C@H](C)NC(=O)c1ccc(C)c(C)c1-n1cnnn1	218254165	QGPQJSDCBHDTCE-JTQLQIEISA-N	303.322	0.570	70	50	DCIA	
CN(C(=O)c1cncc(OS(=O)(=O)F)c1)[C@@]1(C)CCOC1	1875385221	OUXIAMIQMMSKGI-LBPRGKRZSA-N	318.326	0.926	70	50	DCIA	
CCN1CCN(CC(=O)NCCc2nncn2C(C)C)CC1	218279054	DRZCKJLQJWPKOH-UHFFFAOYSA-N	308.430	0.155	70	50	DCIA	
CCN(C(=O)c1cncc(OS(=O)(=O)F)c1)[C@H]1CCOC1	1875384637	HTHKIAQFZAEPHH-JTQLQIEISA-N	318.326	0.926	70	50	DCIA	
Cn1ccnc1[C@@H](NC(=O)CCn1cnnn1)c1ccccc1	217882400	JRJMDAMDTUPIES-AWEZNQCLSA-N	311.349	0.703	70	50	DCIA	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCOCC2)cc1	166114788	SUWQDSCMTGRJQM-UHFFFAOYSA-N	309.340	0.366	70	50	DCIA	
O=C(CCn1cncn1)N1CCCO[C@H](CN2CCCC2)C1	216969355	OFBFPZSUDYRLBR-CQSZACIVSA-N	307.398	0.382	70	50	DCIA	
O=C(NCCCn1ccnn1)c1cc(=O)n(-c2ccccc2)[nH]1	218521222	ARGZGHRDHDIKBB-UHFFFAOYSA-N	312.333	0.577	70	50	DCIA	
Nc1nccc(C2CCN(C(=O)CN3CCOC3=O)CC2)n1	217216481	HDJVXDLESJIFGK-UHFFFAOYSA-N	305.338	0.217	70	50	DCIA	
O=C(Cc1nc2ccccc2[nH]1)N[C@@H]1COCC[C@@H]1OCCO	218367683	XDXPEISVDSMIAK-KGLIPLIRSA-N	319.361	0.388	70	50	DCIA	
CN(C)[C@H](C(=O)NCCc1noc(CO)n1)c1ccc(F)cc1	216957393	DJFHLYQJYMTKKX-AWEZNQCLSA-N	322.340	0.663	70	50	DCIA	
Cc1ccn2c(C(=O)N3CC(n4nc(C)cc4C)C3)nnc2n1	218005427	VUXOTYMOJNYOIU-UHFFFAOYSA-N	311.349	0.943	70	50	DCIA	
CCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)n(C)n1	218372169	RJWKWRSUUNOTEV-TZMCWYRMSA-N	311.382	0.269	70	50	DCIA	
COC[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1	217194213	MMKWCQLVDGUIJK-SECBINFHSA-N	303.318	0.325	70	50	DCIA	
CC[C@@H](NC(=O)CN1CCOC1=O)c1cn2cccnc2n1	217410204	HMLYVEKXEYZIGX-SNVBAGLBSA-N	303.322	0.749	70	50	DCIA	
Cn1ccnc1C(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1	218411323	YDNPBDMZTRRGQZ-ZIAGYGMSSA-N	316.361	0.919	70	50	DCIA	
C[C@@H](CCC(=O)NCCSc1ncn[nH]1)N1CCOCC1	218311934	LQPCBHBPOVTOBQ-NSHDSACASA-N	313.427	0.514	70	50	DCIA	
C[C@@]1(c2ccc(C(=O)N3CCC[C@@H]3CN)cc2)NC(=O)NC1=O	160172470	JAQHYKCWEXDXAG-WBMJQRKESA-N	316.361	0.305	70	50	DCIA	
CCS(=O)(=O)Nc1ccc(C(=O)NCc2n[nH]c(C)n2)cc1	217019951	VYLPWASGUMCHGJ-UHFFFAOYSA-N	323.378	0.805	70	50	DCIA	
Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)CN2CCCC2)C1	217784849	JJPOVCNRWHQESZ-GFCCVEGCSA-N	307.398	0.109	70	50	DCIA	
O=C(COc1ccccc1)N1CCCN(S(=O)(=O)F)CC1	1875368538	ZGSUZIZBUZYDEL-UHFFFAOYSA-N	316.354	0.814	70	50	DCIA	
Cn1ccnc1SCCNC(=O)C[C@@H]1C=CS(=O)(=O)C1	216930706	CHBIEQDPFMUYBU-JTQLQIEISA-N	315.420	0.577	70	50	DCIA	
C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(Cn3ccnc3)CC1)C2	217335130	FNGZGZHGVJOTSW-GFCCVEGCSA-N	315.377	0.956	70	50	DCIA	
Cc1nonc1CC(=O)NCCc1nc(-c2cccnc2)no1	217736588	GCZNGTKSMAZICH-UHFFFAOYSA-N	314.305	0.724	70	50	DCIA	
CN(C)c1ncc(Br)cc1C(=O)N1CCNCC1	159441387	MBKWYPSEPUGGAO-UHFFFAOYSA-N	313.199	0.956	70	50	DCIA	
Cc1ccc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1	159554329	ZIVFOZCIZVXBDO-NSHDSACASA-N	312.391	0.712	70	50	DCIA	
Cc1nc2cc(CNC(=O)CNC(=O)N(C)C)ccc2n1C	217475282	QQDAWZYJKYABDD-UHFFFAOYSA-N	303.366	0.769	70	50	DCIA	
O=C(Cn1c(=O)oc2ccccc21)NCCSc1cnn[nH]1	218507805	OWDHQGUXGMPGGY-UHFFFAOYSA-N	319.346	0.621	70	50	DCIA	
COc1ccc(CCC(=O)NC[C@@]2(O)CCNC2)cc1OC	217633665	LNRVNJATTFDTQK-MRXNPFEDSA-N	308.378	0.477	70	50	DCIA	
O=C1CCC(CCC(=O)N2CCCn3nc(CO)cc3C2)=NN1	217014286	DMFYMAXBSAVASL-UHFFFAOYSA-N	319.365	0.154	70	50	DCIA	
NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cc(Cl)c[nH]1	218478242	FJNWVUGKJISXEP-ZJUUUORDSA-N	301.730	0.057	70	50	DCIA	
CO[C@@H]1CCOC[C@H]1NC(=O)COc1ncnc2ccccc12	218494854	WFSVZWXNOAUYKA-ZIAGYGMSSA-N	317.345	0.929	70	50	DCIA	
O=C(c1cc(C2CC2)no1)N1CCN(S(=O)(=O)F)CC1	1875373657	JUSGKLJYPGNHMY-UHFFFAOYSA-N	303.315	0.524	70	50	DCIA	
CN(C)[C@@H]1[C@@H](NC(=O)c2nnc3n2CCCCC3)[C@H]2CCO[C@H]21	218070721	CNYWFFCPCKXQMP-YXCITZCRSA-N	319.409	0.452	70	50	DCIA	
C[C@H](O)c1cc2n(n1)CCCN(Cc1nc3ncccn3n1)C2	217982793	JSFRNBALDMLTHH-NSHDSACASA-N	313.365	0.780	70	50	DCIA	
COCCN(C[C@@H]1CCCO1)C(=O)c1n[nH]c(N)c1Cl	218093409	DDXVFXPXRPPBTH-QMMMGPOBSA-N	302.762	0.913	70	50	DCIA	
Cn1nccc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	460088118	BMOGIDHYBXFNMG-UHFFFAOYSA-N	319.339	0.879	70	50	DCIA	
COC(=O)N[C@@H](C)C(=O)NCCc1nc2ccccc2c(=O)[nH]1	218214663	ZXOPUDZKPKGROG-VIFPVBQESA-N	318.333	0.326	70	50	DCIA	
Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2c(c1)OCCO2	218323990	QSHDZXLQLVKKTO-SNVBAGLBSA-N	303.318	0.790	70	50	DCIA	
O=C(c1cncc(OS(=O)(=O)F)c1)N1CCOCCO1	1875385216	OOHWSBOQFFIFJC-UHFFFAOYSA-N	306.271	0.079	70	50	DCIA	
O=C(/C=C/c1ccccc1)N1CCn2nc([C@H](O)CO)cc2C1	217845253	FIGGBMDOOPEHLT-FYCOFBDGSA-N	313.357	0.964	70	50	DCIA	
CO[C@@H]1CC[C@H]1N(C)C(=O)c1cncc(OS(=O)(=O)F)c1	1875382135	SASRAJKKBQCFIG-GHMZBOCLSA-N	318.326	0.924	70	50	DCIA	
O=C(C(=O)N1CCC(N2CCC(O)CC2)CC1)c1cccnc1	217151845	TYJACEANFXEXGB-UHFFFAOYSA-N	317.389	0.712	70	50	DCIA	
O=C(c1cc(CO)ccn1)N1CCCn2nc(CO)cc2C1	217922470	IMEVHFPJYCROEL-UHFFFAOYSA-N	302.334	0.309	70	50	DCIA	
C[C@H](NC(=O)c1[nH]nc2ccccc12)C(=O)N1CC[C@@H](N)C1	160320076	ROVBNOSVAZCJFZ-VHSXEESVSA-N	301.350	0.241	70	50	DCIA	
Nc1cc(O)nc(CCNC(=O)[C@@H](O)c2ccccc2Cl)n1	217408446	TZXAFPDLPFRADQ-ZDUSSCGKSA-N	322.752	0.810	70	50	DCIA	
O=C(CN1CCOc2ccccc2C1)N[C@@H]1COCC[C@H]1O	218605082	FUFWFJGGRXJPAF-ZIAGYGMSSA-N	306.362	0.147	70	50	DCIA	
C[C@@H]1OCC[C@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875385089	MPAIBQVMWBKFLA-OIBJUYFYSA-N	304.299	0.582	70	50	DCIA	
Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)C2)nc(C)n1	217087964	UPAWUNKADXZPRK-AWEZNQCLSA-N	303.410	0.555	70	50	DCIA	
Cc1nnnn1CCC(=O)NC[C@H]1OCCc2ccccc21	217333971	WHUZANVZTRSSQS-CQSZACIVSA-N	301.350	0.802	70	50	DCIA	
NC(=O)c1cncc(N[C@@H]2COCC[C@H]2Oc2ccccn2)n1	218000315	YJKGHTCPILBADZ-VXGBXAGGSA-N	315.333	0.619	70	50	DCIA	
O=C(CN1CCOC1=O)NCCc1noc(C(F)(F)F)n1	217644193	GPDAIGBZDZVBMU-UHFFFAOYSA-N	308.216	0.199	70	50	DCIA	
COC[C@@H]1[C@@H](NS(=O)(=O)c2c(C)cnn2C)[C@@H]2CCO[C@@H]21	218751351	GBDMVAOBVLILHB-USZNOCQGSA-N	315.395	0.057	70	50	DCIA	
COCCn1c(C)cc(C)c(C(=O)N2CCN(C)CC2)c1=O	218615112	ZFXSWYUADJAPAZ-UHFFFAOYSA-N	307.394	0.499	70	50	DCIA	
Cc1nc2cc(CNC(=O)[C@H](C)NS(C)(=O)=O)ccc2n1C	218321660	LBHMIGJLFZANQD-VIFPVBQESA-N	324.406	0.436	70	50	DCIA	
Cc1cccc(=O)n1CCCNC(=O)C[C@@H]1C=CS(=O)(=O)C1	217941975	YAXOVCDZCWBRGC-ZDUSSCGKSA-N	324.402	0.611	70	50	DCIA	
CC(=O)N[C@@H]1[C@@H](NC(=O)c2ncoc2C2CC2)[C@H]2CCO[C@H]21	218290462	NQBVWULHJTVPOI-FBKDDSFISA-N	305.334	0.574	70	50	DCIA	
COC(=O)[C@H]1C[C@@H](S(=O)(=O)F)CN1C(=O)c1cccs1	1615057945	WEUXBVPYZUAUHR-HTQZYQBOSA-N	321.351	0.804	70	50	DCIA	
C[C@@H](O)CNc1c(NCc2ccc3c(c2)OCO3)c(=O)c1=O	218286585	UZFANDJGHOAXMG-MRVPVSSYSA-N	304.302	0.416	70	50	DCIA	
Cc1nc(C)c(CC(=O)NCCCc2csc(N)n2)c(=O)[nH]1	217591852	SPPDRVSCRHMYBA-UHFFFAOYSA-N	321.406	0.717	70	50	DCIA	
COC[C@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)c1ccnn1C	218223320	ZWBKRSFYMFSMTD-LBPRGKRZSA-N	319.365	0.167	70	50	DCIA	
COc1ccc2oc(CNC(=O)CN3C(=O)CNC3=O)nc2c1	218174678	GLPFTFPJOFEHRU-UHFFFAOYSA-N	318.289	0.004	70	50	DCIA	
Cn1nnc2ccc(NC(=O)CCCn3cccn3)cc2c1=O	218200747	KNWUTSAFRQDNBX-UHFFFAOYSA-N	312.333	0.944	70	50	DCIA	
CCc1nccn1CCCNC(=O)Cc1c(C)nc(C)[nH]c1=O	217892952	JQHVTEUHHDYAPK-UHFFFAOYSA-N	317.393	0.895	70	50	DCIA	
CC(=O)N1CC(Nc2ccc3c(c2)n(C)c(=O)n3C)=CC1=O	218469498	DXJNZPKKGQEBPC-UHFFFAOYSA-N	300.318	0.562	70	50	DCIA	
Cc1nc2ncccn2c1C(=O)N1CCn2nc(CO)cc2C1	217651966	JZVDIHBXLAVLRV-UHFFFAOYSA-N	312.333	0.383	70	50	DCIA	
CC1(C)COCN1C(=O)c1cncc(OS(=O)(=O)F)c1	1875385567	WGYCLKSHIAMLRI-UHFFFAOYSA-N	304.299	0.883	70	50	DCIA	
CC(C)Cc1cc(CN2CCn3nc([C@@H](O)CO)cc3C2)n[nH]1	218145116	OABXYZCYTKBFDC-INIZCTEOSA-N	319.409	0.846	70	50	DCIA	
CN1C[C@@H](CNC(=O)Cc2ccc(N(C)C)cc2)OCC1=O	217072676	JZAACUZEBYBFOC-CQSZACIVSA-N	305.378	0.269	70	50	DCIA	
CCc1nc(S(=O)(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2COC)c[nH]1	218670394	DGFSOCJPBBJDGP-FQPOAREZSA-N	315.395	0.300	70	50	DCIA	
Cc1cnc2c(C(=O)N3CCn4nc(CO)cc4C3)cnn2c1	217634510	OBMWAEUMGCVAJP-UHFFFAOYSA-N	312.333	0.383	70	50	DCIA	
Cn1cc([C@@H](NC(=O)c2ccc(O)cn2)C2CC(O)C2)cn1	218510925	BEOPMVVNCQLPCU-ASYNLNLVSA-N	302.334	0.763	70	50	DCIA	
COC(=O)CNC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1	218601885	ONIYIMHNTFAZIR-UHFFFAOYSA-N	316.313	0.857	70	50	DCIA	
NC(=O)[C@H]1CCCN(C(=O)c2cnc(C(F)(F)F)nc2)C1	159494582	YWKNGMKNHNAKSP-ZETCQYMHSA-N	302.256	0.833	70	50	DCIA	
Cn1nnc2c(S(=O)(=O)N[C@@H]3C[C@@H]4OCC[C@@H]43)cccc21	217114646	PEPDKKVTRRUWEZ-KKZNHRDASA-N	308.363	0.424	70	50	DCIA	
Cc1cc(=O)n(CC(=O)N[C@@H]2COCC[C@H]2O)c2ccccc12	218525289	LSONGYDRMAPVCB-UKRRQHHQSA-N	316.357	0.576	70	50	DCIA	
CCSCCC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O	218125981	GNCCZHBZDVEWNA-UHFFFAOYSA-N	321.402	0.949	70	50	DCIA	
CC(C)c1nccn1[C@H](C)C(=O)NCCc1noc(CO)n1	217846340	GDCPQVQCMLXQTN-SNVBAGLBSA-N	307.354	0.802	70	50	DCIA	
CN(C(=O)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1	217211938	XDEGGNYPFNKZQW-VIFPVBQESA-N	321.358	0.182	70	50	DCIA	
CSCC[C@@H](CO)NC(=O)CN1Cc2ccccc2C1=O	218322150	CSEPYLMRBVUNCQ-LBPRGKRZSA-N	308.403	0.873	70	50	DCIA	
O=S(=O)(CCN1CCn2nc(CO)cc2C1)c1ccccc1	217429371	GLJRWSGAVVUZBS-UHFFFAOYSA-N	321.402	0.665	70	50	DCIA	
Cc1cc(N)n(CC(=O)N[C@H](C(=O)N(C)C)c2ccccc2)n1	218059138	JGXGFWYDZNKXEN-HNNXBMFYSA-N	315.377	0.719	70	50	DCIA	
Cc1nc(O)cc(CN2CCCn3nc([C@@H](O)CO)cc3C2)n1	217936741	LARRPBXEIYPXME-AWEZNQCLSA-N	319.365	0.119	70	50	DCIA	
Nc1nc(NC2CC2)cc(N2CCCn3nc(CO)cc3C2)n1	217518451	GVIVDCPPDFFPHE-UHFFFAOYSA-N	315.381	0.732	70	50	DCIA	
CCn1ncc(Cl)c1C(=O)N1CCn2nc(CO)cc2C1	218170846	HUOJJDRVMLQFOI-UHFFFAOYSA-N	309.757	0.901	70	50	DCIA	
COc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NC(C)=O)ccn1	218650506	ZYRLBGWQTJMLQP-YXCITZCRSA-N	305.334	0.112	70	50	DCIA	
NC(=O)[C@@H]1CCCN(C(=O)c2cnc(C(F)(F)F)nc2)C1	159494718	YWKNGMKNHNAKSP-SSDOTTSWSA-N	302.256	0.833	70	50	DCIA	
CN(CC(=O)NCCSc1nncn1C)Cc1ccncc1	217806319	AWWPQVYEEZEENW-UHFFFAOYSA-N	320.422	0.550	70	50	DCIA	
CC(C)[C@H](CC(N)=O)c1oc(CN2CCOCC2)cc(=O)c1O	218007777	LDVOVTYRZAYLBL-LBPRGKRZSA-N	324.377	0.793	70	50	DCIA	biogenic
O=C(c1ncc(F)cc1F)N1CCn2nc([C@H](O)CO)cc2C1	217683485	OYSPALZOBMOBLA-GFCCVEGCSA-N	324.287	0.238	70	50	DCIA	
CC(C)c1nccn1[C@@H](C)C(=O)NCCc1noc(CO)n1	217846238	GDCPQVQCMLXQTN-JTQLQIEISA-N	307.354	0.802	70	50	DCIA	
CCSc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)s1	217164582	FOKVCEKSTOICFB-HTQZYQBOSA-N	321.445	0.748	70	50	DCIA	
O=C(CN1CCOC1=O)NCCc1noc(-c2ccccc2)n1	217203049	BRAOLCJQIKXKEG-UHFFFAOYSA-N	316.317	0.848	70	50	DCIA	
CCCc1cc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)n[nH]1	217450347	FXFZMTHVVSHJSF-NSHDSACASA-N	307.354	0.309	70	50	DCIA	
C[C@]1(c2ccc(C(=O)N3CCC[C@H]3CN)cc2)NC(=O)NC1=O	160172837	JAQHYKCWEXDXAG-BLLLJJGKSA-N	316.361	0.305	70	50	DCIA	
O=C(CN1CCn2nc(CO)cc2C1)NCc1cccs1	217572419	WGLJNBBEDIZVNB-UHFFFAOYSA-N	306.391	0.569	70	50	DCIA	
O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1nccs1	217947047	DOZKYSZLRIOTGF-SNVBAGLBSA-N	320.374	0.747	70	50	DCIA	
C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	952884969	WKGRUIAQXKMDFN-BDAKNGLRSA-N	320.342	0.597	70	50	DCIA	
O=C(CCn1cncn1)N1CCCO[C@@H](CN2CCCC2)C1	216969343	OFBFPZSUDYRLBR-AWEZNQCLSA-N	307.398	0.382	70	50	DCIA	
Cc1nc(CCNC(=O)CN2C(=O)CNC2=O)sc1Cl	218617829	IRRRVRVFYNUCDG-UHFFFAOYSA-N	316.770	0.315	70	50	DCIA	
CCCN1C(=O)N[C@H](CC(=O)N(C)Cc2cc(C)no2)C1=O	217713311	CYESNQGKXIPACV-LLVKDONJSA-N	308.338	0.662	70	50	DCIA	
CC1(C)OCC[C@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875384628	HOXRXAUWOAJRER-SNVBAGLBSA-N	318.326	0.972	70	50	DCIA	
C[C@@H](NC(=O)c1[nH]nc2ccccc12)C(=O)N1CC[C@@H](N)C1	160320236	ROVBNOSVAZCJFZ-NXEZZACHSA-N	301.350	0.241	70	50	DCIA	
O=C1CCCCCN1CC(=O)N1CCCn2nc(CO)cc2C1	217376206	MYSFHRQZIREWEL-UHFFFAOYSA-N	320.393	0.510	70	50	DCIA	
CC(=O)N[C@H]1CCCN(C(=O)Cn2cnc(C(C)C)cc2=O)C1	160669276	HJJWNPJSSPEPFA-ZDUSSCGKSA-N	320.393	0.494	70	50	DCIA	
C[C@H]1OCC[C@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875385088	MPAIBQVMWBKFLA-GMSGAONNSA-N	304.299	0.582	70	50	DCIA	
O=C(CCc1cccnc1)N[C@H]1COC[C@@H]1N1CCOCC1	218452001	KVDYLMJEGSALCI-GJZGRUSLSA-N	305.378	0.230	70	50	DCIA	
CN1CC[C@H](N(C)Cc2ccc(OS(=O)(=O)F)cc2)C1=O	1875387572	ODYZJSODYVLXPZ-LBPRGKRZSA-N	316.354	0.942	70	50	DCIA	
COCc1cc(N[C@@H]2COCC[C@@H]2OCC(=O)N(C)C)ncn1	218243552	JRPKHIWCLZADRG-OLZOCXBDSA-N	324.381	0.297	70	50	DCIA	
O=C(CN1CCOC1=O)NCCc1cnn(-c2ccccc2)c1	218453698	FSRCSPXENJLUMM-UHFFFAOYSA-N	314.345	0.983	70	50	DCIA	
C[C@H](CC(=O)N1CC[C@@H](N)C1)S(=O)(=O)c1ccc(F)cc1	160213874	UIZWKWKSRWSBJX-ZYHUDNBSSA-N	314.382	0.938	70	50	DCIA	
CN1C[C@@H](CNC(=O)c2ccccc2N2CCCC2)OCC1=O	217614642	PHLOFZXLCOSEFT-CYBMUJFWSA-N	317.389	0.874	70	50	DCIA	
Nc1nc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)n[nH]1	218501701	MHQPQCFTRSCSLX-LBPRGKRZSA-N	300.366	0.668	70	50	DCIA	
O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ncn[nH]1	218552210	JSSQWLIJDSZYSU-NXEZZACHSA-N	309.351	0.365	70	50	DCIA	
O=C(c1cncc(OS(=O)(=O)F)c1)N1CCOC[C@H]1CF	1875385672	YSWFLCGKPHUWFP-SECBINFHSA-N	322.289	0.485	70	50	DCIA	
CCOC(C)(C)C(=O)N1CCCn2nc([C@H](O)CO)cc2C1	217179396	QJLBNRKYYOEZCY-CYBMUJFWSA-N	311.382	0.456	70	50	DCIA	
Cn1ccnc1SCCNC(=O)C[C@H]1C=CS(=O)(=O)C1	216930730	CHBIEQDPFMUYBU-SNVBAGLBSA-N	315.420	0.577	70	50	DCIA	
O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCCN1C(=O)C1CCCCC1	217654122	VNPINMNEEFAEFF-NSHDSACASA-N	321.381	0.286	70	50	DCIA	
COc1ccc(S(=O)(=O)F)cc1[C@@]1(C)NC(=O)NC1=O	675066351	IMTWTWQNKYILKD-LLVKDONJSA-N	302.283	0.408	70	50	DCIA	
CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CN1C(=O)CNC1=O	217146796	YDADYIZNRYWEFG-UHFFFAOYSA-N	319.296	0.212	70	50	DCIA	
CN(C)CC[C@@H]1CCCCN1C(=O)c1cn(C)c(=O)[nH]c1=O	217542526	JCGQCVLSJDUHQC-NSHDSACASA-N	308.382	0.020	70	50	DCIA	
C[C@@H]1CN(S(=O)(=O)NC[C@@H](N)c2ccccc2)C[C@@H](C)O1	217840353	OQMRTSYLFSENPN-YRGRVCCFSA-N	313.423	0.630	70	50	DCIA	
Nc1[nH]nc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c1Cl	218537375	IGXOLTMENUTAJM-IUCAKERBSA-N	313.789	0.628	70	50	DCIA	
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CCc2ccccc2C1	218137717	UKYUKZLVGKNORO-ZDUSSCGKSA-N	313.357	0.588	70	50	DCIA	
O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@@H]1COCCO1	1875385650	YARLILHIGXJGGX-JTQLQIEISA-N	305.283	0.634	70	50	DCIA	
CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2	216904936	MUZSHMHJTRQRET-CABCVRRESA-N	316.405	0.593	70	50	DCIA	
CNc1ncccc1CN1CCCn2nc([C@H](O)CO)cc2C1	217070386	UBDGGBDBYYWNHG-OAHLLOKOSA-N	317.393	0.751	70	50	DCIA	
Cc1nc(N)sc1C(=O)N1CCN(Cc2nccn2C)CC1	217920772	QWLGJRVOOIRTER-UHFFFAOYSA-N	320.422	0.725	70	50	DCIA	
Cc1nc2cc(CNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2n1C	218321570	LBHMIGJLFZANQD-SECBINFHSA-N	324.406	0.436	70	50	DCIA	
O=C(NCc1nnc2n1CCC2)[C@H](c1ccccc1)n1cnnn1	218055802	VVJLWBMMLBINAK-AWEZNQCLSA-N	324.348	0.117	70	50	DCIA	
CCOc1ccc(CN2CCN(S(=O)(=O)F)CC2)nc1	1776004588	VGOKNGOKSVABEJ-UHFFFAOYSA-N	303.359	0.812	70	50	DCIA	
Cc1nc(N2CCN(Cc3c[nH]nn3)C[C@@H](O)C2)sc1C	217679923	MGIISJZOBXYRFF-GFCCVEGCSA-N	308.411	0.561	70	50	DCIA	
CC[C@@H](Cn1ccnc1)NC(=O)CN(C)C1CCN(C)CC1	218649511	WCCWPPSLEBOGQF-AWEZNQCLSA-N	307.442	0.804	70	50	DCIA	
Cc1cc(O)n2nc(CC(=O)NCc3cnn(C)c3C)nc2n1	217165117	VSHNPWMBUKBLKX-UHFFFAOYSA-N	315.337	0.039	70	50	DCIA	
Cc1nc(N2CCN(Cc3cc(C4CC4)n[nH]3)C[C@@H](O)C2)no1	217537148	PTZDLYNVJODBCH-CYBMUJFWSA-N	318.381	0.662	70	50	DCIA	
O=C(CN1CCOC1=O)NCc1cnn(Cc2ccccc2)c1	217684238	AGWUGRONVYRYOV-UHFFFAOYSA-N	314.345	1.000	70	50	DCIA	
CN(Cc1cc(C2CC2)[nH]n1)C(=O)CCn1ccc(=O)[nH]c1=O	217754754	WHWFYNZONABLPW-UHFFFAOYSA-N	317.349	0.186	70	50	DCIA	
CN(C)C(=O)CN1CCCN(C(=O)c2ccncc2O)CC1	217153083	LGCDDDPXELBYTK-UHFFFAOYSA-N	306.366	0.023	70	50	DCIA	
Nc1cc(S(=O)(=O)N2CCCC2)ccc1OS(=O)(=O)F	1875389886	GPFOYGNTSRNQEJ-UHFFFAOYSA-N	324.355	0.646	70	50	DCIA	
Cc1nc2c(s1)CCC[C@H]2NC(=O)CN1CC(=O)NC1=O	218236611	XSNHVDLFIRKOSJ-MRVPVSSYSA-N	308.363	0.497	70	50	DCIA	
COc1ccc2nnc(CCCC(=O)N[C@H](CO)C(C)C)n2n1	218206108	JAVNBCMOAZLCSU-LLVKDONJSA-N	321.381	0.589	70	50	DCIA	
CCCN(C[C@@H]1CCCO1)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O	217713442	IXNZBEWHKSGEJX-NSHDSACASA-N	309.366	0.332	70	50	DCIA	
COC(=O)[C@H]1[C@@H]2C(=O)N(CCCOC(C)C)C[C@@]23C=C[C@H]1O3	217643780	QUBYIAGDCXXOFL-JXFSHQFZSA-N	309.362	0.757	70	50	DCIA	biogenic
CCc1c(C)nn(CCNC(=O)CN2CCCN(C)CC2)c1C	218615896	ZUJUSSLWQISLAE-UHFFFAOYSA-N	321.469	0.816	70	50	DCIA	
O=C(Cc1cccs1)N1CCCn2nc([C@@H](O)CO)cc2C1	217045655	CGHJCRBLRUKCQZ-AWEZNQCLSA-N	321.402	0.945	70	50	DCIA	
Cn1ccnc1[C@H](NC(=O)CCn1cnnn1)c1ccccc1	217882487	JRJMDAMDTUPIES-CQSZACIVSA-N	311.349	0.703	70	50	DCIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccccc1	218303339	XGLDVERUGDHSIX-NSHDSACASA-N	317.345	0.816	70	50	DCIA	
C#C[C@H]1COCCN1C(=O)c1cncc(OS(=O)(=O)F)c1	1875385664	YLMFGRQDUXIYBP-JTQLQIEISA-N	314.294	0.149	70	50	DCIA	
Cc1nnc(CN(C)C(=O)CSc2nnc(N)s2)o1	217350759	MKATXPLYQWWMPX-UHFFFAOYSA-N	300.369	0.562	70	50	DCIA	
Cn1cc([C@@H](NC(=O)c2ncccc2O)C2CC(O)C2)cn1	218602188	NAGPRYJYYMHOGF-OCTTZUBCSA-N	302.334	0.763	70	50	DCIA	
C[C@@H]1C[C@@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1	1875384394	GMLRNTBZKBNPOV-SCZZXKLOSA-N	318.326	0.972	70	50	DCIA	
O=C(CCCn1cncn1)N[C@@H]1CCOC2(CCOCC2)C1	217554523	UCIZGILINNQUTI-CYBMUJFWSA-N	308.382	0.903	70	50	DCIA	
Cc1cc(=O)[nH]c(NCCNC(=O)c2ccc3[nH]nnc3c2)n1	217847102	NGNCSOOIUZAFQN-UHFFFAOYSA-N	313.321	0.192	70	50	DCIA	
CC(C)C1=NO[C@@H](C(=O)NCc2nc(-c3cnccn3)n[nH]2)C1	217649797	ZVKYTNDWJHJNSM-LLVKDONJSA-N	315.337	0.679	70	50	DCIA	
CC(=O)N1CC(Nc2ccc3c(c2)N(C)C(=O)CO3)=CC1=O	218482469	ZJFMGWNNKNMRRG-UHFFFAOYSA-N	301.302	0.726	70	50	DCIA	
COc1cn(CC(=O)NCc2c(C)nn(C)c2C)c(C)cc1=O	218205381	FGLLEEOMBTXGDT-UHFFFAOYSA-N	318.377	0.832	70	50	DCIA	
COC(=O)[C@H]1C[C@H](S(=O)(=O)F)CN1C(=O)c1cccs1	1615057947	WEUXBVPYZUAUHR-JGVFFNPUSA-N	321.351	0.804	70	50	DCIA	
COC(=O)c1ccccc1Nc1c(N2CCOCC2)c(=O)c1=O	218281944	ZKNZSAPTJAEAGQ-UHFFFAOYSA-N	316.313	0.649	70	50	DCIA	
CN1CCC(O)(CNC(=O)[C@@H](O)c2ccccc2Cl)CC1	218714208	UWJMXKRCYVFXHD-ZDUSSCGKSA-N	312.797	0.946	70	50	DCIA	
CCN(Cc1nc(COC)no1)C(=O)CN1CCC[C@@H](O)C1	218415392	YBJAEHGXEVOUSC-LLVKDONJSA-N	312.370	0.021	70	50	DCIA	
O=C(Cn1cnc2ccsc2c1=O)NCCc1c[nH]cn1	218372400	JDWWIILHACBLKR-UHFFFAOYSA-N	303.347	0.540	70	50	DCIA	
CNC(=O)[C@@H](NC(=O)CCN1CCOCC1)c1ccccc1	218698370	NLYCKMBNIDEQMA-HNNXBMFYSA-N	305.378	0.312	70	50	DCIA	
Cc1nc2[nH]cc(C(=O)N(C)[C@H](C)c3ccncc3)c(=O)n2n1	217382521	ZRPXKFPOKRORRV-SECBINFHSA-N	312.333	0.954	70	50	DCIA	
COCc1cc(CNC(=O)c2cc(C(C)C)nc(N)n2)n[nH]1	218275439	FWQIOAUJVOUQTK-UHFFFAOYSA-N	304.354	0.982	70	50	DCIA	
O[C@H]1CN(Cc2ccco2)CCN(c2ncnc3[nH]cnc23)C1	216966824	IPFZKMHFECTRMR-NSHDSACASA-N	314.349	0.629	70	50	DCIA	
CC[C@@H]1COC[C@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1	1875385176	NSRXEAHGVGLRNW-LDYMZIIASA-N	318.326	0.830	70	50	DCIA	
O=C(NCc1ccccc1)N1CCN(S(=O)(=O)F)CC1	1776004372	PZBLBIMYUUMEAZ-UHFFFAOYSA-N	301.343	0.728	70	50	DCIA	
CC(=O)NCCOc1ccc(C(=O)NCc2nccn2C)cc1	217480011	NPAYBOWCWFKJNH-UHFFFAOYSA-N	316.361	0.865	70	50	DCIA	
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1nn(C)cc1Cl)C2	217955021	VXAWCODTTIRIJG-QMMMGPOBSA-N	309.757	0.979	70	50	DCIA	
O=S(=O)(F)Oc1ccc(OCCN2CCOCC2)cc1	1875374215	FVZQTRZAOGEJJV-UHFFFAOYSA-N	305.327	0.991	70	50	DCIA	
O=C(CN1CCOC1=O)N[C@@H]1CCCN(c2cnccn2)C1	217139809	QYEZMGBZPKJVJD-LLVKDONJSA-N	305.338	0.014	70	50	DCIA	
O=C(c1cncc(OS(=O)(=O)F)c1)N1CCO[C@H](CF)C1	1875385263	POSPHXFFVNXBKY-SNVBAGLBSA-N	322.289	0.485	70	50	DCIA	
NC(=O)NC1(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1	160169611	JDMGTTCRQZKLAP-CQSZACIVSA-N	316.405	0.968	70	50	DCIA	
Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc2ccccc2[nH]c1=O	218191814	ZMVBRRPIYATAAT-SNVBAGLBSA-N	312.329	0.860	70	50	DCIA	
CCc1noc([C@@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)n1	217355418	LPYNSDPMIRMTBD-MRVPVSSYSA-N	305.338	0.752	70	50	DCIA	
Cc1nc(CN2CCN(C(=O)CCn3nccc3C)CC2)no1	218234341	KZMIMPFMMXFESN-UHFFFAOYSA-N	318.381	0.617	70	50	DCIA	
CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(OC)nc1OC	218678819	FBZUWUFMSKUWCB-LLVKDONJSA-N	307.350	0.840	70	50	DCIA	
CNc1ncccc1CN1CCCn2nc([C@@H](O)CO)cc2C1	217070356	UBDGGBDBYYWNHG-HNNXBMFYSA-N	317.393	0.751	70	50	DCIA	
COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(N)=O)c(C)c1	218277239	HEKYLZBXQRRECW-ZIAGYGMSSA-N	322.361	0.393	70	50	DCIA	
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(C)Cc1nc(C)c[nH]1	217338356	YNIXMODOHJUZFO-LBPRGKRZSA-N	304.354	0.147	70	50	DCIA	
O=C(NCCOCCO)Nc1ccc(S(=O)(=O)F)cc1	100820064	NFXSABBGRWOGEI-UHFFFAOYSA-N	306.315	0.475	70	50	DCIA	
CN1CCN(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)CC1	218601496	UAXPZAAYMRVBPH-ZIAGYGMSSA-N	320.393	0.575	70	50	DCIA	
O=C(Cc1cccs1)N1CCCn2nc([C@H](O)CO)cc2C1	217045694	CGHJCRBLRUKCQZ-CQSZACIVSA-N	321.402	0.945	70	50	DCIA	
CS(=O)(=O)N1CCN(Cc2ccc([B-](F)(F)F)cc2)CC1	221518571	RIQVLNKONOPRTJ-UHFFFAOYSA-N	321.153	0.818	70	50	DCIA	
COc1ccc2[nH]c(C(=O)NCc3c[nH]c(=O)[nH]c3=O)cc2c1	217151889	PEQIXIJIBMONGS-UHFFFAOYSA-N	314.301	0.483	70	50	DCIA	
O=C(N[C@@H]1COCC[C@H]1O)C1CCN(C2CCOCC2)CC1	218637580	BBUMICGRSRJKGS-HUUCEWRRSA-N	312.410	0.143	70	50	DCIA	
C[C@@H]1[C@@H](O)CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1	1875385253	PITYVUITEAGMCD-KCJUWKMLSA-N	318.326	0.660	70	50	DCIA	
Cc1nonc1C(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1	218518410	DBMSHHYWXFOBNK-CHWSQXEVSA-N	318.333	0.877	70	50	DCIA	
N#C[C@]1(F)CCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C1	1875381968	MLPPBXFCNIECNP-LLVKDONJSA-N	317.273	0.752	70	50	DCIA	
C[C@@H](O)C(=O)N1CCN(CCN(C)Cc2ccc(F)cc2)CC1	161308868	QDYZOEGHTXVHKZ-CQSZACIVSA-N	323.412	0.783	70	50	DCIA	
CN(CC1CCOCC1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	217702633	BTINUKWNJBXXFM-UHFFFAOYSA-N	317.345	0.715	70	50	DCIA	
COc1ccc2nnc(CCCC(=O)Nc3cnn(C)c3)n2n1	218461758	NTMVQAXHOYFUKM-UHFFFAOYSA-N	315.337	0.828	70	50	DCIA	
COc1cccc(C(=O)NCCC(=O)NC[C@H]2COCCO2)c1	217570668	WAKWULZKUBWBLQ-AWEZNQCLSA-N	322.361	0.347	70	50	DCIA	
Cc1csc(CCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)n1	218325253	JTSBUZSTSLHPIZ-UHFFFAOYSA-N	322.390	0.359	70	50	DCIA	
NC1CC(c2cc(N3CCN(c4ncccn4)CC3)ncn2)C1	218062462	IUGMZBXCCVZXBH-UHFFFAOYSA-N	311.393	0.798	70	50	DCIA	
CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]2CN)c1	160364718	ZOYBBAYPXYHKNO-QMMMGPOBSA-N	303.409	0.220	70	50	DCIA	
Cc1cc(=O)c2ccccc2n1CC(=O)N1CCNC(=O)[C@@H]1C	218005256	KTKUDIFWCZRLGE-LBPRGKRZSA-N	313.357	0.657	70	50	DCIA	
C[C@H](O)C(=O)N1CCN(CCN(C)Cc2ccc(F)cc2)CC1	161308733	QDYZOEGHTXVHKZ-AWEZNQCLSA-N	323.412	0.783	70	50	DCIA	
O=C(COC[C@H]1CCCO1)Nc1ncc(S(=O)(=O)F)s1	585126469	ZUKWFRTYROGYBG-SSDOTTSWSA-N	324.355	0.935	70	50	DCIA	
C[C@H]1C[C@@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1	1875384397	GMLRNTBZKBNPOV-WPRPVWTQSA-N	318.326	0.972	70	50	DCIA	
Cc1nc2c(s1)CCC[C@@H]2NC(=O)CN1CC(=O)NC1=O	218236590	XSNHVDLFIRKOSJ-QMMMGPOBSA-N	308.363	0.497	70	50	DCIA	
CC[C@H](NC(=O)CN1CCOC1=O)c1cn2cccnc2n1	217410287	HMLYVEKXEYZIGX-JTQLQIEISA-N	303.322	0.749	70	50	DCIA	
CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1ccon1	1875385116	NAUUGJVSTLBUFZ-UHFFFAOYSA-N	301.255	0.939	70	50	DCIA	
Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCn1ccc(=O)[nH]c1=O	217064022	APEUZRBTUFKIKH-QMMMGPOBSA-N	305.338	0.144	70	50	DCIA	
Cc1ccnn1CCC(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1	218381734	PQZSXQKSYFWDMD-PXCJXSSVSA-N	317.393	0.944	70	50	DCIA	
CCCN1C(=O)N[C@@H](CC(=O)NCCc2cccnc2)C1=O	217137716	BSRSLQHUUDQRES-LBPRGKRZSA-N	304.350	0.461	70	50	DCIA	
O=C(CN1CCOCC1)N1CCC([C@@H](O)c2ccccn2)CC1	218523714	LNORIRAYGXQGJY-QGZVFWFLSA-N	319.405	0.686	70	50	DCIA	
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1S(=O)(=O)F	703841417	VYHMJJDVFDVBMK-HTQZYQBOSA-N	311.331	0.694	70	50	DCIA	
CC(C)Cc1cc(CN2CCn3nc([C@H](O)CO)cc3C2)n[nH]1	218145189	OABXYZCYTKBFDC-MRXNPFEDSA-N	319.409	0.846	70	50	DCIA