smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c([O-])c(C(=O)Nc2cc(C)ccn2)c(=O)c2ccccc21	ZINC000005687843	1097876646	/nfs/dbraw/zinc/87/66/46/1097876646.db2.gz	FTRXLRNHWUGESV-UHFFFAOYSA-N	-1	1	335.363	2.849	50	30		EFEAMM
COc1ccc(NC(=O)C([O-])=CC(=O)c2ccc(OC)cc2)cc1	ZINC000100761794	206254145	/nfs/dbraw/zinc/25/41/45/206254145.db2.gz	BGWCXVKTPNUSFV-BOPFTXTBSA-N	-1	1	327.336	2.967	50	30		EFEAMM
COC(=O)c1ccccc1NC(=O)C([O-])=CC(=O)c1ccccc1	ZINC000100756965	206254922	/nfs/dbraw/zinc/25/49/22/206254922.db2.gz	GVFCHSIMLUYYLG-WJDWOHSUSA-N	-1	1	325.320	2.737	50	30	biogenic	EFEAMM
C=CCn1c([C@@H](C)NC(=O)Cc2ccc(OC)cc2)n[n-]c1=S	ZINC000004777262	210276067	/nfs/dbraw/zinc/27/60/67/210276067.db2.gz	FVJVUTNPNLSHHY-LLVKDONJSA-N	-1	1	332.429	2.555	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1C)CC(=O)N2	ZINC000004944192	277879143	/nfs/dbraw/zinc/87/91/43/277879143.db2.gz	BSMFXWGHBKECCO-LBPRGKRZSA-N	-1	1	327.409	2.831	50	30		EFEAMM
Cc1cc([O-])c(C(=O)/C=C/c2ccc3c(c2)CN(C)CC3)c(=O)o1	ZINC000020411741	301365472	/nfs/dbraw/zinc/36/54/72/301365472.db2.gz	FBJXYKDQIQQKHK-GQCTYLIASA-N	-1	1	325.364	2.538	50	30	biogenic	EFEAMM
CC(=O)c1cc(C#N)c(SCC(=O)c2ccc([O-])c(O)c2)nc1C	ZINC000000239931	471339295	/nfs/dbraw/zinc/33/92/95/471339295.db2.gz	PFIGCTCGGFRAPI-UHFFFAOYSA-N	-1	1	342.376	2.851	50	30		EFEAMM
COc1ccc(Br)cc1C=NNc1ncnc2nc[nH]c21	ZINC000004106443	471460442	/nfs/dbraw/zinc/46/04/42/471460442.db2.gz	BEJLVNDZHYCYHP-PTXOJBNSSA-N	-1	1	347.176	2.570	50	30		EFEAMM
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000006269871	471538540	/nfs/dbraw/zinc/53/85/40/471538540.db2.gz	BBMYITWBNZBAHZ-UHFFFAOYSA-N	-1	1	330.409	2.712	50	30		EFEAMM
COc1ccc(CN=Nc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1OC	ZINC000013143074	471817734	/nfs/dbraw/zinc/81/77/34/471817734.db2.gz	IUJGIOGBSXCEKO-MFOYZWKCSA-N	-1	1	345.311	2.756	50	30		EFEAMM
N#Cc1ccc2[n-]cc(S(=O)(=O)c3ccc(F)c(F)c3)c(=O)c2c1	ZINC000015829341	471918686	/nfs/dbraw/zinc/91/86/86/471918686.db2.gz	BMRDMGKGXFXSFR-UHFFFAOYSA-N	-1	1	346.314	2.923	50	30		EFEAMM
Cc1ccc([C@@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CCC3)o1	ZINC000044973868	472361271	/nfs/dbraw/zinc/36/12/71/472361271.db2.gz	LLVBFVOANYJPQA-LBPRGKRZSA-N	-1	1	329.381	2.898	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1O)CC(=O)N2	ZINC000670416047	547486290	/nfs/dbraw/zinc/48/62/90/547486290.db2.gz	CEAAFDATFVLUKK-JTQLQIEISA-N	-1	1	329.381	2.640	50	30		EFEAMM
C=CCn1c([O-])c(C(=O)Nc2ccccc2O)c(=O)c2ccccc21	ZINC000004752072	1096912677	/nfs/dbraw/zinc/91/26/77/1096912677.db2.gz	MIUUOBGRAQSAOC-UHFFFAOYSA-N	-1	1	336.347	2.851	50	30		EFEAMM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000055546829	214328511	/nfs/dbraw/zinc/32/85/11/214328511.db2.gz	JRCJDUASJNNGKC-UHFFFAOYSA-N	-1	1	330.409	2.712	50	30		EFEAMM
CCOc1cc(C=NNc2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1O	ZINC000011903726	211266764	/nfs/dbraw/zinc/26/67/64/211266764.db2.gz	FLSCCCRRMLCEMA-RQZCQDPDSA-N	-1	1	345.311	2.843	50	30		EFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccco2)no1	ZINC000009360266	211072992	/nfs/dbraw/zinc/07/29/92/211072992.db2.gz	XOAVDHQXQQJBQY-AWEZNQCLSA-N	-1	1	340.291	2.952	50	30		EFEAMM
O=c1[nH]c2ccc([N+](=O)[O-])cc2nc1C=C([O-])c1ccc(F)cc1	ZINC000004955077	210338652	/nfs/dbraw/zinc/33/86/52/210338652.db2.gz	RZKUYIDSFHHZPX-ZSOIEALJSA-N	-1	1	327.271	2.865	50	30		EFEAMM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1	ZINC000006411982	279764999	/nfs/dbraw/zinc/76/49/99/279764999.db2.gz	OFNGSLSVXIDDBJ-ZETCQYMHSA-N	-1	1	331.357	2.628	50	30		EFEAMM
COC(=O)c1c(C)oc([N-]C(=O)c2ccc(F)c(F)c2F)c1C#N	ZINC000012295026	471770446	/nfs/dbraw/zinc/77/04/46/471770446.db2.gz	RFCQVDOTVIHFDH-UHFFFAOYSA-N	-1	1	338.241	2.916	50	30		EFEAMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)C12CC3CC(CC(C3)C1)C2	ZINC000072433981	472662696	/nfs/dbraw/zinc/66/26/96/472662696.db2.gz	PRXGKFOECRVXLF-ZFTXGQLMSA-N	-1	1	349.456	2.641	50	30		EFEAMM
CC1(C)CC(=O)C(C(=O)C=CNc2cccc([N+](=O)[O-])c2)=C([O-])C1	ZINC000100098425	219090665	/nfs/dbraw/zinc/09/06/65/219090665.db2.gz	QGOHZQGLVAJFMZ-SREVYHEPSA-N	-1	1	330.340	2.664	50	30		EFEAMM
CCOC(=O)[N-]C(=O)C(=NNc1cc(Cl)cc(Cl)c1)C(C)=O	ZINC000100326888	219096453	/nfs/dbraw/zinc/09/64/53/219096453.db2.gz	YDAXWXGJDZPDFS-WQRHYEAKSA-N	-1	1	346.170	2.623	50	30		EFEAMM
O=C([O-])COc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccco1	ZINC000004426786	210192007	/nfs/dbraw/zinc/19/20/07/210192007.db2.gz	KXVXELNJBWKFTM-LZYBPNLTSA-N	-1	1	344.352	2.546	50	30		EFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccco2)no1	ZINC000102564199	219210553	/nfs/dbraw/zinc/21/05/53/219210553.db2.gz	DWYUAADGYNHHBW-MRPLLJTBSA-N	-1	1	340.291	2.795	50	30		EFEAMM
C=C(C)CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1	ZINC000020736655	212167271	/nfs/dbraw/zinc/16/72/71/212167271.db2.gz	WQMAKSQIBGDYDO-SFHVURJKSA-N	-1	1	327.428	2.796	50	30		EFEAMM
C=CCc1c(C)nc(Nc2nc(C)c3cccc(OC)c3n2)[n-]c1=O	ZINC000009288057	211061277	/nfs/dbraw/zinc/06/12/77/211061277.db2.gz	VMCRXSAFKPEDCD-UHFFFAOYSA-N	-1	1	337.383	2.811	50	30		EFEAMM
C=CCSc1ncc(Cl)c(C(=O)[N-]c2nnc(C)s2)n1	ZINC000009206531	211053317	/nfs/dbraw/zinc/05/33/17/211053317.db2.gz	WXVFIJIBNUGIEM-UHFFFAOYSA-N	-1	1	327.822	2.820	50	30		EFEAMM
C=CCn1c([C@H](C)NC(=O)Cc2ccc(OC)cc2)n[n-]c1=S	ZINC000004777261	210274988	/nfs/dbraw/zinc/27/49/88/210274988.db2.gz	FVJVUTNPNLSHHY-NSHDSACASA-N	-1	1	332.429	2.555	50	30		EFEAMM
COc1ccc(C(=O)/C=C/c2c3c(ccc2C(=O)[O-])OCO3)c(O)c1	ZINC000045951673	258015249	/nfs/dbraw/zinc/01/52/49/258015249.db2.gz	JCFLUFSBCWUMMK-GQCTYLIASA-N	-1	1	342.303	2.724	50	30		EFEAMM
COc1c2c(cc3c1[C@H](C/C(=N/[O-])C(F)(F)F)N(C)CC3)OCO2	ZINC000020411371	286188634	/nfs/dbraw/zinc/18/86/34/286188634.db2.gz	SSLINGPLJYLXKA-SHDGIHNSSA-N	-1	1	346.305	2.736	50	30	biogenic	EFEAMM
C=CCn1c(SCc2cc(=O)[nH][n-]2)nc2sc(C)c(C)c2c1=O	ZINC000000106233	471323929	/nfs/dbraw/zinc/32/39/29/471323929.db2.gz	BWESKRGCLGSHFP-UHFFFAOYSA-N	-1	1	348.453	2.982	50	30		EFEAMM
O=C([O-])C(=NNc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F	ZINC000002383802	471407451	/nfs/dbraw/zinc/40/74/51/471407451.db2.gz	WWJUIZMNOHIYHX-FBCYGCLPSA-N	-1	1	328.168	2.689	50	30		EFEAMM
CC(C)(C)S(=O)(=O)/C(C#N)=N/[N-]c1ccc(Br)cc1	ZINC000003047535	471431404	/nfs/dbraw/zinc/43/14/04/471431404.db2.gz	TWLPFTNJDKNMGC-LFIBNONCSA-N	-1	1	344.234	2.911	50	30		EFEAMM
CC([O-])=C1C(=O)[C@@H]2[C@@H]3c4c[nH]c5cccc(c54)C[C@H]3C(C)(C)N2C1=O	ZINC000012405148	471774498	/nfs/dbraw/zinc/77/44/98/471774498.db2.gz	SZINUGQCTHLQAZ-JLZZUVOBSA-N	-1	1	336.391	2.828	50	30	in-vitro	EFEAMM
N#Cc1ccc2c([O-])c(S(=O)(=O)c3ccc(F)c(F)c3)cnc2c1	ZINC000015829343	471918974	/nfs/dbraw/zinc/91/89/74/471918974.db2.gz	STHYHZDIWWDETK-UHFFFAOYSA-N	-1	1	346.314	2.923	50	30		EFEAMM
O=[N+]([O-])c1ccc([O-])c(C=N[N-]c2nc3nc4ccccc4c-3[nH][nH+]2)c1	ZINC000033837348	471987102	/nfs/dbraw/zinc/98/71/02/471987102.db2.gz	GQUPSAVNUQKTDF-CAOOACKPSA-N	-1	1	349.310	2.566	50	30		EFEAMM
C=CCn1c(=O)c(C(=O)NCCc2ccccc2)c([O-])c2ccccc21	ZINC000006492933	1249342325	/nfs/dbraw/zinc/34/23/25/1249342325.db2.gz	WHGWRFVJXSVWBN-UHFFFAOYSA-N	-1	1	348.402	2.866	50	30		EFEAMM
C=CCn1c([O-])c(C(=O)NCCc2ccccc2)c(=O)c2ccccc21	ZINC000006492933	1249342329	/nfs/dbraw/zinc/34/23/29/1249342329.db2.gz	WHGWRFVJXSVWBN-UHFFFAOYSA-N	-1	1	348.402	2.866	50	30		EFEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1[N+](=O)[O-]	ZINC000004702020	210253539	/nfs/dbraw/zinc/25/35/39/210253539.db2.gz	IMTSEYLXPNGVML-UHFFFAOYSA-N	-1	1	331.353	2.770	50	30		EFEAMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc2ccccc2c1	ZINC000004576762	210224806	/nfs/dbraw/zinc/22/48/06/210224806.db2.gz	RLVBMKVIIBPSBY-LEBHLANCSA-N	-1	1	341.392	2.626	50	30		EFEAMM
O=C(c1ccccc1)N([O-])[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000101158508	219117826	/nfs/dbraw/zinc/11/78/26/219117826.db2.gz	CAYACAMENSREEZ-AWEZNQCLSA-N	-1	1	344.754	2.504	50	30		EFEAMM
CC(C)(C)c1nnc(NC([O-])=NS(=O)(=O)c2ccccc2)s1	ZINC000004104977	210120986	/nfs/dbraw/zinc/12/09/86/210120986.db2.gz	SGTCBQAFBURWBH-UHFFFAOYSA-N	-1	1	340.430	2.550	50	30		EFEAMM
CC(C)(C)c1nnc(NC(=O)[N-]S(=O)(=O)c2ccccc2)s1	ZINC000004104977	210120981	/nfs/dbraw/zinc/12/09/81/210120981.db2.gz	SGTCBQAFBURWBH-UHFFFAOYSA-N	-1	1	340.430	2.550	50	30		EFEAMM
Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1N=Cc1ccc(O)c(O)c1	ZINC000102732998	219226305	/nfs/dbraw/zinc/22/63/05/219226305.db2.gz	JZWRSIPEOCTFEX-WJWAKDHPSA-N	-1	1	349.350	2.570	50	30		EFEAMM
N#Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2[O-])cc1	ZINC000015828908	283185686	/nfs/dbraw/zinc/18/56/86/283185686.db2.gz	XHTLKMHTKJDCGW-UHFFFAOYSA-N	-1	1	328.324	2.784	50	30		EFEAMM
C=C(C)Cn1c2c(c(=O)[n-]c1=S)CN(CCc1ccccc1)CN2	ZINC000020567549	212147406	/nfs/dbraw/zinc/14/74/06/212147406.db2.gz	FPKWTDJXAXXQQP-UHFFFAOYSA-N	-1	1	342.468	2.910	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)cc1)CC(=O)N2	ZINC000009348910	211071624	/nfs/dbraw/zinc/07/16/24/211071624.db2.gz	BKNPEQBXNZDSOB-GFCCVEGCSA-N	-1	1	343.408	2.531	50	30		EFEAMM
N#Cc1ccccc1NC(=O)c1c([O-])n2c3c(cccc3c1=O)CCC2	ZINC000001305959	303206127	/nfs/dbraw/zinc/20/61/27/303206127.db2.gz	CSTGKBXXZMVLAU-UHFFFAOYSA-N	-1	1	345.358	2.777	50	30		EFEAMM
CN1C(=O)C(=Cc2ccc(-c3ccc(C#N)cc3)o2)C(=O)[N-]C1=S	ZINC000001278852	471384554	/nfs/dbraw/zinc/38/45/54/471384554.db2.gz	VNCCHIVSLNXVSR-MDWZMJQESA-N	-1	1	337.360	2.915	50	30		EFEAMM
O=C([N-]C(F)(F)C(F)(F)C(F)(F)F)NC(=O)c1ccccc1	ZINC000002311523	471405545	/nfs/dbraw/zinc/40/55/45/471405545.db2.gz	UUKZZRGZERGFSU-UHFFFAOYSA-N	-1	1	332.175	2.916	50	30		EFEAMM
N#Cc1ccc2[n-]cc(S(=O)(=O)c3cccc(F)c3)c(=O)c2c1	ZINC000015829352	471918990	/nfs/dbraw/zinc/91/89/90/471918990.db2.gz	CKEUWZQHAZTWEJ-UHFFFAOYSA-N	-1	1	328.324	2.784	50	30		EFEAMM
CCCCc1c(C)nc(NN=Cc2ccc(OCC)cc2O)[n-]c1=O	ZINC000016102075	521257836	/nfs/dbraw/zinc/25/78/36/521257836.db2.gz	BLUYHMKKLLCMJT-YBFXNURJSA-N	-1	1	344.415	2.971	50	30		EFEAMM
C=C(C)COc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000055271764	1424033008	/nfs/dbraw/zinc/03/30/08/1424033008.db2.gz	ALJLDZPLGMUZQT-UHFFFAOYSA-N	-1	1	349.394	2.752	50	30		EFEAMM
N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc([O-])cc1	ZINC000027195995	202153253	/nfs/dbraw/zinc/15/32/53/202153253.db2.gz	OFHKDLYFKPBXER-UHFFFAOYSA-N	-1	1	348.391	2.795	50	30	in-vitro	EFEAMM
CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CC=O	ZINC000230535823	242262998	/nfs/dbraw/zinc/26/29/98/242262998.db2.gz	RECXTVUGQLCMNW-UHFFFAOYSA-N	-1	1	340.173	2.565	50	30		EFEAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1	ZINC000000328954	206232100	/nfs/dbraw/zinc/23/21/00/206232100.db2.gz	MLYMKTVKXLXJMS-UHFFFAOYSA-N	-1	1	329.381	2.512	50	30		EFEAMM
C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C(=O)[N-]C1=S	ZINC000000242667	471340348	/nfs/dbraw/zinc/34/03/48/471340348.db2.gz	KQGOTTZLSNOMMC-UXBLZVDNSA-N	-1	1	341.219	2.806	50	30		EFEAMM
COc1ccc(C=CC(C)=NN=C2NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000004690057	471471201	/nfs/dbraw/zinc/47/12/01/471471201.db2.gz	CGHKPCWBDXTENE-BJZVHQHMSA-N	-1	1	347.396	2.987	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(OC)c1)CC(=O)N2	ZINC000004944391	471480262	/nfs/dbraw/zinc/48/02/62/471480262.db2.gz	HBPXFAHAMVHAAC-GFCCVEGCSA-N	-1	1	343.408	2.531	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)CC(=O)N2	ZINC000004944201	471480448	/nfs/dbraw/zinc/48/04/48/471480448.db2.gz	CMGQNKLOTSNIKO-NSHDSACASA-N	-1	1	331.372	2.661	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)CC(=O)N2	ZINC000004944200	471480534	/nfs/dbraw/zinc/48/05/34/471480534.db2.gz	CMGQNKLOTSNIKO-LLVKDONJSA-N	-1	1	331.372	2.661	50	30		EFEAMM
COc1ccc(C=CC(C)=NN=C2NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000006185340	471535483	/nfs/dbraw/zinc/53/54/83/471535483.db2.gz	CGHKPCWBDXTENE-CTTZHNLZSA-N	-1	1	347.396	2.987	50	30		EFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccco2)no1	ZINC000009360263	471715627	/nfs/dbraw/zinc/71/56/27/471715627.db2.gz	XOAVDHQXQQJBQY-CQSZACIVSA-N	-1	1	340.291	2.952	50	30		EFEAMM
N#CC(=C([O-])c1cccc(F)c1)c1nnnn1-c1ccc(Cl)cc1	ZINC000016399094	471935906	/nfs/dbraw/zinc/93/59/06/471935906.db2.gz	JJVUAZVCXGUZQN-CQSZACIVSA-N	-1	1	341.733	2.945	50	30		EFEAMM
C=CCc1c(C)nc(SCC(=O)Nc2ccc(OC)cc2)[n-]c1=O	ZINC000018254407	519122817	/nfs/dbraw/zinc/12/28/17/519122817.db2.gz	UZXVTOFMTXZXPB-UHFFFAOYSA-N	-1	1	345.424	2.546	50	30		EFEAMM
O=CCn1c(=S)sc2c1nc(-c1c[nH]c3ccccc31)[n-]c2=O	ZINC000100147503	219092381	/nfs/dbraw/zinc/09/23/81/219092381.db2.gz	NYBPBGVGKCCSNK-UHFFFAOYSA-N	-1	1	342.405	2.863	50	30		EFEAMM
C=CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010328072	211164493	/nfs/dbraw/zinc/16/44/93/211164493.db2.gz	RAMAXHKHHQTOKH-UHFFFAOYSA-N	-1	1	330.409	2.712	50	30		EFEAMM
CC(C)(C)C1CCC(=N/N=C2/NC(=O)C(CC(=O)[O-])S2)CC1	ZINC000000969370	278299642	/nfs/dbraw/zinc/29/96/42/278299642.db2.gz	BTUTVDJNWMNRMQ-HCCKASOXSA-N	-1	1	325.434	2.641	50	30		EFEAMM
CC(C)(C)C1CCC(=N/N=C2/NC(=O)C(CC(=O)[O-])S2)CC1	ZINC000000969372	278299656	/nfs/dbraw/zinc/29/96/56/278299656.db2.gz	BTUTVDJNWMNRMQ-UMJHXOGRSA-N	-1	1	325.434	2.641	50	30		EFEAMM
COc1cc([N+](=O)[O-])cc(/C=N/c2cc([N+](=O)[O-])cc(C)c2[O-])c1O	ZINC000095482078	473213211	/nfs/dbraw/zinc/21/32/11/473213211.db2.gz	TUEUGTLHKWYJFS-FRKPEAEDSA-N	-1	1	347.283	2.982	50	30		EFEAMM
CCCCCCC(=O)N([O-])[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O	ZINC000096295820	473372601	/nfs/dbraw/zinc/37/26/01/473372601.db2.gz	ZQWLHJKRSHPQKB-AWEZNQCLSA-N	-1	1	336.363	2.646	50	30		EFEAMM
COCc1cc(C)nc(SCC(=O)c2ccc([O-])c(O)c2)c1C#N	ZINC000000085612	471321158	/nfs/dbraw/zinc/32/11/58/471321158.db2.gz	MSOUCVXDWWIFTI-UHFFFAOYSA-N	-1	1	344.392	2.794	50	30		EFEAMM
CC(=O)c1cccc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000002582449	471410882	/nfs/dbraw/zinc/41/08/82/471410882.db2.gz	HQGBVGWNOXPYBO-UHFFFAOYSA-N	-1	1	332.381	2.912	50	30		EFEAMM
CC(=O)c1cccc(NC([O-])=NS(=O)(=O)c2ccc(C)cc2)c1	ZINC000002582449	471410888	/nfs/dbraw/zinc/41/08/88/471410888.db2.gz	HQGBVGWNOXPYBO-UHFFFAOYSA-N	-1	1	332.381	2.912	50	30		EFEAMM
C=CCN1C(=O)C(=CNc2c(CC)cccc2CC)C(=O)[N-]C1=S	ZINC000002990342	471430140	/nfs/dbraw/zinc/43/01/40/471430140.db2.gz	JEVKAKKMLFWBFK-KAMYIIQDSA-N	-1	1	343.452	2.537	50	30		EFEAMM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)n1	ZINC000006828088	471573229	/nfs/dbraw/zinc/57/32/29/471573229.db2.gz	PMPSGXSJIVKDPE-UHFFFAOYSA-N	-1	1	345.384	2.783	50	30		EFEAMM
N#Cc1cccc(S(=O)(=O)c2c[n-]c3ccc(C#N)cc3c2=O)c1	ZINC000015829361	471918555	/nfs/dbraw/zinc/91/85/55/471918555.db2.gz	UTKHAULCJSHYBX-UHFFFAOYSA-N	-1	1	335.344	2.517	50	30		EFEAMM
N#CC(=C([O-])c1cccc(F)c1)c1nnnn1-c1ccc(Cl)cc1	ZINC000016399096	471936058	/nfs/dbraw/zinc/93/60/58/471936058.db2.gz	JJVUAZVCXGUZQN-AWEZNQCLSA-N	-1	1	341.733	2.945	50	30		EFEAMM
CCCc1cc(=O)[n-]c(NN=Cc2ccc(OC(C)C)c(OC)c2)n1	ZINC000003947292	521342558	/nfs/dbraw/zinc/34/25/58/521342558.db2.gz	DIVODPSFLPPQMB-YBFXNURJSA-N	-1	1	344.415	2.964	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1O)CC(=O)N2	ZINC000670416048	547486238	/nfs/dbraw/zinc/48/62/38/547486238.db2.gz	CEAAFDATFVLUKK-SNVBAGLBSA-N	-1	1	329.381	2.640	50	30		EFEAMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc2ccccc2c1	ZINC000004576760	210224669	/nfs/dbraw/zinc/22/46/69/210224669.db2.gz	RLVBMKVIIBPSBY-FVOVHSBVSA-N	-1	1	341.392	2.626	50	30		EFEAMM
O=[N+]([O-])c1ccc(NN=Cc2cccc([N+](=O)[O-])c2[O-])c([N+](=O)[O-])c1	ZINC000100053415	219090032	/nfs/dbraw/zinc/09/00/32/219090032.db2.gz	NDAUVVHGEZSLBT-VGOFMYFVSA-N	-1	1	347.243	2.563	50	30		EFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccco2)no1	ZINC000102564189	219210524	/nfs/dbraw/zinc/21/05/24/219210524.db2.gz	DWYUAADGYNHHBW-SXWSKBOKSA-N	-1	1	340.291	2.795	50	30		EFEAMM
C=CCOc1ccccc1CN(CC)C(=O)Cc1c(C)[n-][nH]c1=O	ZINC000067784012	215210707	/nfs/dbraw/zinc/21/07/07/215210707.db2.gz	NWYZTUUAHBHNKV-UHFFFAOYSA-N	-1	1	329.400	2.580	50	30		EFEAMM
C=CCn1c(SCc2cc(=O)[nH][n-]2)nc2sc(C)cc2c1=O	ZINC000004911333	210321505	/nfs/dbraw/zinc/32/15/05/210321505.db2.gz	GEVIJVVDBNEVOD-UHFFFAOYSA-N	-1	1	334.426	2.673	50	30		EFEAMM
C=CCN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)[N-]C1=S	ZINC000000444898	471361102	/nfs/dbraw/zinc/36/11/02/471361102.db2.gz	RFETVMLQILOEQN-UKTHLTGXSA-N	-1	1	325.393	2.831	50	30		EFEAMM
O=C(c1ccccc1)N([O-])[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000000543653	471369959	/nfs/dbraw/zinc/36/99/59/471369959.db2.gz	CAYACAMENSREEZ-CQSZACIVSA-N	-1	1	344.754	2.504	50	30		EFEAMM
Brc1ccccc1-c1ccc(CN=Nc2nnn[n-]2)o1	ZINC000004680460	1423488393	/nfs/dbraw/zinc/48/83/93/1423488393.db2.gz	BQGCGRARSNUIMP-VGOFMYFVSA-N	-1	1	333.149	2.668	50	30		EFEAMM
C=CCn1c(=O)c(C(=O)NCc2ccccc2)c([O-])c2ccccc21	ZINC000006492934	1098092276	/nfs/dbraw/zinc/09/22/76/1098092276.db2.gz	BSSYTCLQNLMRSN-UHFFFAOYSA-N	-1	1	334.375	2.823	50	30		EFEAMM
C=CCn1c([O-])c(C(=O)NCc2ccccc2)c(=O)c2ccccc21	ZINC000006492934	1098092283	/nfs/dbraw/zinc/09/22/83/1098092283.db2.gz	BSSYTCLQNLMRSN-UHFFFAOYSA-N	-1	1	334.375	2.823	50	30		EFEAMM
C=CCN(Cc1ccccc1C)C(=O)c1ccc(-n2cnnn2)cc1[O-]	ZINC000055182960	214284423	/nfs/dbraw/zinc/28/44/23/214284423.db2.gz	LOUONHLXTUGLKQ-UHFFFAOYSA-N	-1	1	349.394	2.505	50	30		EFEAMM
CC([O-])=C1C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c54)C[C@H]3C(C)(C)N2C1=O	ZINC000100061481	219089858	/nfs/dbraw/zinc/08/98/58/219089858.db2.gz	SZINUGQCTHLQAZ-DQYPLSBCSA-N	-1	1	336.391	2.828	50	30	in-vitro	EFEAMM
COc1ccc(OC)c(NC=CC(=O)C2=C([O-])CC(C)(C)CC2=O)c1	ZINC000100331449	219096940	/nfs/dbraw/zinc/09/69/40/219096940.db2.gz	IEQYLNZHDWYHKJ-FPLPWBNLSA-N	-1	1	345.395	2.773	50	30		EFEAMM
CCCc1cc(=O)[n-]c(NN=Cc2ccc(OCC)c(OCC)c2)n1	ZINC000004423946	210190408	/nfs/dbraw/zinc/19/04/08/210190408.db2.gz	XRMKQMBLFMGELG-XDHOZWIPSA-N	-1	1	344.415	2.966	50	30		EFEAMM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000004037895	210106574	/nfs/dbraw/zinc/10/65/74/210106574.db2.gz	HBDFAJNGAOMTDN-INIZCTEOSA-N	-1	1	337.331	2.874	50	30		EFEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000000337799	471349577	/nfs/dbraw/zinc/34/95/77/471349577.db2.gz	UXEKFASJJKJHMD-UHFFFAOYSA-N	-1	1	335.341	2.618	50	30		EFEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000000337799	471349583	/nfs/dbraw/zinc/34/95/83/471349583.db2.gz	UXEKFASJJKJHMD-UHFFFAOYSA-N	-1	1	335.341	2.618	50	30		EFEAMM
O=C1c2ccccc2C(=O)N1/N=C/c1ccc([O-])c(Br)c1	ZINC000000353737	471351103	/nfs/dbraw/zinc/35/11/03/471351103.db2.gz	JXADMLCEJTXWTH-CAOOACKPSA-N	-1	1	345.152	2.785	50	30		EFEAMM
O=C([O-])c1ccccc1C=Nn1c(=S)[nH]nc1-c1cccnc1	ZINC000001296643	471384857	/nfs/dbraw/zinc/38/48/57/471384857.db2.gz	AODBFMRPXXWURZ-RQZCQDPDSA-N	-1	1	325.353	2.583	50	30		EFEAMM
CCOC(=O)[N-]c1nn(-c2ccc(Cl)cc2)c(=O)c(C#N)c1C	ZINC000001426328	471390989	/nfs/dbraw/zinc/39/09/89/471390989.db2.gz	CNUZQYXUOXBYRX-UHFFFAOYSA-N	-1	1	332.747	2.634	50	30		EFEAMM
O=C([O-])c1ccc(C=Nn2c(=S)[nH]nc2-c2cccnc2)cc1	ZINC000005997276	471529448	/nfs/dbraw/zinc/52/94/48/471529448.db2.gz	AEGQVJRCMGBZGG-CAOOACKPSA-N	-1	1	325.353	2.583	50	30		EFEAMM
CCCCCCC(=O)N([O-])[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O	ZINC000086013180	472272398	/nfs/dbraw/zinc/27/23/98/472272398.db2.gz	YGYWXJBHSBZDDQ-HNNXBMFYSA-N	-1	1	332.400	2.815	50	30	aggregator	EFEAMM
C=CCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)C(=O)[N-]C1=S	ZINC000225649632	474231792	/nfs/dbraw/zinc/23/17/92/474231792.db2.gz	CMDDWRGFXBELNW-VQHVLOKHSA-N	-1	1	341.219	2.806	50	30		EFEAMM
N#Cc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1	ZINC000826779473	1295996796	/nfs/dbraw/zinc/99/67/96/1295996796.db2.gz	NEZSFJJMQDRNAU-AWEZNQCLSA-N	-1	1	349.394	2.518	50	30		EFEAMM
Cc1nc(NCc2n[nH]c3c2CCCCC3)c(C#N)cc1C(=O)[O-]	ZINC001506399802	1405750871	/nfs/dbraw/zinc/75/08/71/1405750871.db2.gz	QGFJLSYUPXHNFA-UHFFFAOYSA-N	-1	1	325.372	2.564	50	30		EFEAMM
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)cc2)C(=O)[N-]C1=S	ZINC000004723746	210259808	/nfs/dbraw/zinc/25/98/08/210259808.db2.gz	OQLCHCPPZIFEMB-PKVLTRFUSA-N	-1	1	344.436	2.677	50	30		EFEAMM
O=C1c2ccc([O-])cc2O/C1=C\N1CCN(Cc2ccccc2)CC1	ZINC000100656753	201386694	/nfs/dbraw/zinc/38/66/94/201386694.db2.gz	CJHQXYAMQGJIIJ-RGEXLXHISA-N	-1	1	336.391	2.627	50	30		EFEAMM
C=C(C)CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1	ZINC000020736651	212167344	/nfs/dbraw/zinc/16/73/44/212167344.db2.gz	WQMAKSQIBGDYDO-GOSISDBHSA-N	-1	1	327.428	2.796	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)cc1)CC(=O)N2	ZINC000011363914	211214031	/nfs/dbraw/zinc/21/40/31/211214031.db2.gz	BKNPEQBXNZDSOB-LBPRGKRZSA-N	-1	1	343.408	2.531	50	30		EFEAMM
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000010313912	211163084	/nfs/dbraw/zinc/16/30/84/211163084.db2.gz	SYBKOMAFBLQSLU-UHFFFAOYSA-N	-1	1	330.409	2.712	50	30		EFEAMM
O=C1c2ccccc2S(=O)(=O)[N-]/C1=C\c1c(F)cccc1Cl	ZINC000009421779	285025586	/nfs/dbraw/zinc/02/55/86/285025586.db2.gz	QBLWPXUDDVIQJC-JYRVWZFOSA-N	-1	1	337.759	2.995	50	30		EFEAMM
N#Cc1ccc2[n-]cc(S(=O)(=O)c3cc(F)cc(F)c3)c(=O)c2c1	ZINC000015829356	471918449	/nfs/dbraw/zinc/91/84/49/471918449.db2.gz	NCBXOKGFMJTRLU-UHFFFAOYSA-N	-1	1	346.314	2.923	50	30		EFEAMM
CCCCCCC(=O)N([O-])[C@H]1CC(=O)N(Cc2ccccc2)C1=O	ZINC000017887675	471966261	/nfs/dbraw/zinc/96/62/61/471966261.db2.gz	KEOOBVCBTPKRJN-HNNXBMFYSA-N	-1	1	332.400	2.502	50	30	aggregator	EFEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2	ZINC000020611086	471992056	/nfs/dbraw/zinc/99/20/56/471992056.db2.gz	IIJIMZPTGXYAEX-IUXPMGMMSA-N	-1	1	339.347	2.799	50	30	biogenic	EFEAMM
O=[N+]([O-])c1ccc([O-])c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000038144604	472018853	/nfs/dbraw/zinc/01/88/53/472018853.db2.gz	WVDJVZCLXNOQCZ-VGOFMYFVSA-N	-1	1	347.243	2.563	50	30		EFEAMM
Cc1ccc([C@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CCC3)o1	ZINC000044973873	472360491	/nfs/dbraw/zinc/36/04/91/472360491.db2.gz	LLVBFVOANYJPQA-GFCCVEGCSA-N	-1	1	329.381	2.898	50	30		EFEAMM
O=[N+]([O-])c1cccc(C=N[N-]c2nc3nc4ccccc4c-3[nH][nH+]2)c1[O-]	ZINC000252679487	474710000	/nfs/dbraw/zinc/71/00/00/474710000.db2.gz	NGQOOZFSDQRCBC-UHFFFAOYSA-N	-1	1	349.310	2.566	50	30		EFEAMM
CCCCc1c(C)nc(NN=Cc2ccc(OC)cc2OC)[n-]c1=O	ZINC000016512869	521257275	/nfs/dbraw/zinc/25/72/75/521257275.db2.gz	JBGLXKXVGUPYJR-YBFXNURJSA-N	-1	1	344.415	2.884	50	30		EFEAMM
COC(=O)C[C@@H](c1ccco1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217904799	536313357	/nfs/dbraw/zinc/31/33/57/536313357.db2.gz	HUGGNIBLSPRQAK-LBPRGKRZSA-N	-1	1	326.304	2.818	50	30	biogenic	EFEAMM
N#Cc1c2c(sc1NC(=O)CSc1nccc(=O)[n-]1)CCCC2	ZINC000009143455	211044482	/nfs/dbraw/zinc/04/44/82/211044482.db2.gz	LRIAIWMMKZXESG-UHFFFAOYSA-N	-1	1	346.437	2.725	50	30		EFEAMM
CCCCCCC(=O)N([O-])[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O	ZINC000005120487	210393625	/nfs/dbraw/zinc/39/36/25/210393625.db2.gz	YGYWXJBHSBZDDQ-OAHLLOKOSA-N	-1	1	332.400	2.815	50	30	aggregator	EFEAMM
C=CCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[n-]c1=O	ZINC000012653115	258017421	/nfs/dbraw/zinc/01/74/21/258017421.db2.gz	GEOQJVVVLWEPEF-UHFFFAOYSA-N	-1	1	337.383	2.811	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1C)CC(=O)N2	ZINC000004944193	471480871	/nfs/dbraw/zinc/48/08/71/471480871.db2.gz	BSMFXWGHBKECCO-GFCCVEGCSA-N	-1	1	327.409	2.831	50	30		EFEAMM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1	ZINC000006411898	471544606	/nfs/dbraw/zinc/54/46/06/471544606.db2.gz	OFNGSLSVXIDDBJ-SSDOTTSWSA-N	-1	1	331.357	2.628	50	30		EFEAMM
CCCCc1c(C)nc(NN=Cc2cccc(OC)c2O)[n-]c1=O	ZINC000016512851	1313409099	/nfs/dbraw/zinc/40/90/99/1313409099.db2.gz	UAHZKQVYYHTZAP-VCHYOVAHSA-N	-1	1	330.388	2.581	50	30		EFEAMM
O=[N+]([O-])c1ccccc1C=N[N-]c1nnc2c3ccccc3[nH]c2n1	ZINC000004321796	210170848	/nfs/dbraw/zinc/17/08/48/210170848.db2.gz	TVGQIMWNSPSKSG-RQZCQDPDSA-N	-1	1	333.311	2.860	50	30		EFEAMM
CC(C)CNC([O-])=NS(=O)(=O)c1cnccc1Nc1ccccc1	ZINC000021984235	212267744	/nfs/dbraw/zinc/26/77/44/212267744.db2.gz	ZRXHMFXZUAUNLM-UHFFFAOYSA-N	-1	1	348.428	2.674	50	30		EFEAMM
CC(C)CNC(=O)N=S(=O)([O-])c1cnccc1Nc1ccccc1	ZINC000021984235	212267747	/nfs/dbraw/zinc/26/77/47/212267747.db2.gz	ZRXHMFXZUAUNLM-UHFFFAOYSA-N	-1	1	348.428	2.674	50	30		EFEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2	ZINC000020519175	212142409	/nfs/dbraw/zinc/14/24/09/212142409.db2.gz	GKFACZQRJYFECC-SXGWCWSVSA-N	-1	1	340.335	2.978	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OC)CC(=O)N2	ZINC000004944305	210334706	/nfs/dbraw/zinc/33/47/06/210334706.db2.gz	WMPWXEIPPGFPHS-LLVKDONJSA-N	-1	1	343.408	2.531	50	30		EFEAMM
Cc1cccc(Nc2ccncc2S(=O)(=O)N=C([O-])NC(C)C)c1	ZINC000000005823	471317343	/nfs/dbraw/zinc/31/73/43/471317343.db2.gz	NGBFQHCMQULJNZ-UHFFFAOYSA-N	-1	1	348.428	2.734	50	30	fda	EFEAMM
Cc1cccc(Nc2ccncc2S(=O)([O-])=NC(=O)NC(C)C)c1	ZINC000000005823	471317346	/nfs/dbraw/zinc/31/73/46/471317346.db2.gz	NGBFQHCMQULJNZ-UHFFFAOYSA-N	-1	1	348.428	2.734	50	30	fda	EFEAMM
C=CCN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])C(=O)[N-]C1=S	ZINC000000446879	471361755	/nfs/dbraw/zinc/36/17/55/471361755.db2.gz	WCHDRNVQYYBYQK-ZOCAGLHBSA-N	-1	1	343.364	2.804	50	30		EFEAMM
COc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2[O-])cc1OC	ZINC000001015937	471378855	/nfs/dbraw/zinc/37/88/55/471378855.db2.gz	YAQYLMZJDJDDNN-INIZCTEOSA-N	-1	1	330.340	2.668	50	30		EFEAMM
O=C([O-])c1ccccc1C=Nn1c(=S)[nH]nc1-c1ccncc1	ZINC000005998118	471529542	/nfs/dbraw/zinc/52/95/42/471529542.db2.gz	PVZUQWWUFOYMJY-RQZCQDPDSA-N	-1	1	325.353	2.583	50	30		EFEAMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000007709565	471632452	/nfs/dbraw/zinc/63/24/52/471632452.db2.gz	USBTWSNRXOZTTQ-UHFFFAOYSA-N	-1	1	330.365	2.536	50	30		EFEAMM
CC(=NNc1nc(C)cc(=O)[n-]1)c1c(F)c(F)c(F)c(F)c1F	ZINC000016513004	471940529	/nfs/dbraw/zinc/94/05/29/471940529.db2.gz	DKIFPYXLQMUNOS-IGCPIRJNSA-N	-1	1	332.232	2.610	50	30		EFEAMM
C=CCc1ccc(OCCSc2nc(C)cc(=O)[n-]2)c(OC)c1	ZINC000016381875	519139672	/nfs/dbraw/zinc/13/96/72/519139672.db2.gz	XKQOMVKDRLLROV-UHFFFAOYSA-N	-1	1	332.425	2.987	50	30		EFEAMM
C=CCn1c(SCc2cc(=O)[nH][n-]2)nc2sc(CC)cc2c1=O	ZINC000004911328	519238311	/nfs/dbraw/zinc/23/83/11/519238311.db2.gz	VUXSDPLIVLDVJE-UHFFFAOYSA-N	-1	1	348.453	2.927	50	30		EFEAMM
C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)[N-]C1=S	ZINC000004723750	210260340	/nfs/dbraw/zinc/26/03/40/210260340.db2.gz	DNLDEXGPOLRTGA-SDNWHVSQSA-N	-1	1	338.388	2.759	50	30		EFEAMM
CCCCCC(=O)N([O-])[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000101123051	219116781	/nfs/dbraw/zinc/11/67/81/219116781.db2.gz	ZAMVBYSBDZJLIX-CYBMUJFWSA-N	-1	1	338.791	2.770	50	30		EFEAMM
COc1ccc(CN=Nc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1OC	ZINC000003896812	210085882	/nfs/dbraw/zinc/08/58/82/210085882.db2.gz	IUJGIOGBSXCEKO-RQZCQDPDSA-N	-1	1	345.311	2.756	50	30		EFEAMM
N#CCSc1nnc(NN=Cc2ccc(Br)cc2)[n-]1	ZINC000020457354	212133101	/nfs/dbraw/zinc/13/31/01/212133101.db2.gz	BJVUDRPAAUWDBY-VGOFMYFVSA-N	-1	1	337.206	2.629	50	30		EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OC)CC(=O)N2	ZINC000004944304	210333836	/nfs/dbraw/zinc/33/38/36/210333836.db2.gz	WMPWXEIPPGFPHS-NSHDSACASA-N	-1	1	343.408	2.531	50	30		EFEAMM
Nc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O	ZINC000004384802	303503027	/nfs/dbraw/zinc/50/30/27/303503027.db2.gz	VHTXHRSNMNSQEH-CYBMUJFWSA-N	-1	1	342.358	2.517	50	30		EFEAMM
O=C([O-])c1ccc(C=Nn2c(=S)[nH]nc2-c2ccncc2)cc1	ZINC000001299977	471385089	/nfs/dbraw/zinc/38/50/89/471385089.db2.gz	SLFZYBZXACLQBZ-RQZCQDPDSA-N	-1	1	325.353	2.583	50	30		EFEAMM
CCCCCC(=O)N([O-])[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000005190032	471490402	/nfs/dbraw/zinc/49/04/02/471490402.db2.gz	ZAMVBYSBDZJLIX-ZDUSSCGKSA-N	-1	1	338.791	2.770	50	30		EFEAMM
CCOC(=O)c1ccc(OC/C(=N/[O-])c2ccc(O)cc2O)cc1	ZINC000032502195	472442673	/nfs/dbraw/zinc/44/26/73/472442673.db2.gz	WDTUSKUDIFYLFJ-SDXDJHTJSA-N	-1	1	331.324	2.532	50	30		EFEAMM
COc1ccc(NN=C(/C=N/[O-])C(=O)c2ccc(OC)cc2)cc1	ZINC000100364220	472526912	/nfs/dbraw/zinc/52/69/12/472526912.db2.gz	KYKMZUXBBDSRCP-FMRGZHNDSA-N	-1	1	327.340	2.815	50	30		EFEAMM
COCc1nc2ccc(N=Cc3c([O-])c4ccccc4oc3=O)cc2[nH]1	ZINC000824475016	1266902690	/nfs/dbraw/zinc/90/26/90/1266902690.db2.gz	BYNDJDVWKRGRNZ-UKTHLTGXSA-N	-1	1	349.346	2.807	50	30		EFEAMM
O=C(C=CNc1ccc(Br)cc1)C1=C([O-])CCCC1=O	ZINC000100056680	206215202	/nfs/dbraw/zinc/21/52/02/206215202.db2.gz	IPLNQVFNIZDLRN-HJWRWDBZSA-N	-1	1	336.185	2.882	50	30		EFEAMM
Cc1nc(S(=O)(=O)[N-]C2CCCCC2)c(C#N)c(C)c1Cl	ZINC000000118992	471325398	/nfs/dbraw/zinc/32/53/98/471325398.db2.gz	RLGUKGSBVIXJCK-UHFFFAOYSA-N	-1	1	327.837	2.835	50	30		EFEAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1OC	ZINC000000382642	471354027	/nfs/dbraw/zinc/35/40/27/471354027.db2.gz	WMOGXDHRNMXQBB-UHFFFAOYSA-N	-1	1	332.381	2.571	50	30		EFEAMM
Cc1nc(S(=O)(=O)[N-]CCc2ccccc2)c(C#N)c(C)c1Cl	ZINC000001446059	471392451	/nfs/dbraw/zinc/39/24/51/471392451.db2.gz	IUBXQTZMYRIRRR-UHFFFAOYSA-N	-1	1	349.843	2.745	50	30		EFEAMM
CCCCCCC(=O)N([O-])[C@@H]1CC(=O)N(Cc2ccccc2)C1=O	ZINC000002409238	471406656	/nfs/dbraw/zinc/40/66/56/471406656.db2.gz	KEOOBVCBTPKRJN-OAHLLOKOSA-N	-1	1	332.400	2.502	50	30	aggregator	EFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(OC)c1)CC(=O)N2	ZINC000004944390	471479971	/nfs/dbraw/zinc/47/99/71/471479971.db2.gz	HBPXFAHAMVHAAC-LBPRGKRZSA-N	-1	1	343.408	2.531	50	30		EFEAMM
CCOC(=O)C=C(NN=c1s[n-]c(SC)c1C#N)C(F)F	ZINC000006401554	471542809	/nfs/dbraw/zinc/54/28/09/471542809.db2.gz	OIOAAMNZVAQGMM-VIZOYTHASA-N	-1	1	334.373	2.723	50	30		EFEAMM
C=CCOc1c(Cl)cc(CNn2cn[n-]c2=S)cc1OC	ZINC000006603455	471553370	/nfs/dbraw/zinc/55/33/70/471553370.db2.gz	VIJSSYXFKLLPKR-UHFFFAOYSA-N	-1	1	326.809	2.911	50	30		EFEAMM
C=CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000017791262	471964464	/nfs/dbraw/zinc/96/44/64/471964464.db2.gz	QXEHZMYJMUNYFJ-UHFFFAOYSA-N	-1	1	330.409	2.712	50	30		EFEAMM
CCOC(=O)Cn1c(C)c(C=Nn2cn[n-]c2=S)c2ccccc21	ZINC000004739874	520916876	/nfs/dbraw/zinc/91/68/76/520916876.db2.gz	FXVBPXAZPSXGDZ-QGMBQPNBSA-N	-1	1	343.412	2.649	50	30		EFEAMM
COc1cccc(OC/C(=N\[O-])c2ccc(OCC#N)cc2O)c1	ZINC000020761596	526226202	/nfs/dbraw/zinc/22/62/02/526226202.db2.gz	WLQSMDINSRJEIX-KNTRCKAVSA-N	-1	1	328.324	2.560	50	30	biogenic	EFEAMM
COc1ccc(C(=O)/C=C2/Nc3cc([O-])ccc3C2=O)cc1OC	ZINC000100224167	219094618	/nfs/dbraw/zinc/09/46/18/219094618.db2.gz	RXJVXNVMGRPXJE-NTEUORMPSA-N	-1	1	325.320	2.784	50	30		EFEAMM
COc1ccc(N2CCN(C/C(=N\[O-])c3ccccc3)CC2)cc1	ZINC000100346536	219096994	/nfs/dbraw/zinc/09/69/94/219096994.db2.gz	KDVQSRCLTZEPEN-FMQUCBEESA-N	-1	1	325.412	2.696	50	30		EFEAMM
Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1N=Cc1ccccc1O	ZINC000102726232	219225333	/nfs/dbraw/zinc/22/53/33/219225333.db2.gz	JKUAQXHETGIOFS-RICWVNQTSA-N	-1	1	333.351	2.865	50	30		EFEAMM
CCn1cc(C=Nn2cc([O-])c(-c3nc(C)cs3)c2N)c(C)n1	ZINC000102724671	219225900	/nfs/dbraw/zinc/22/59/00/219225900.db2.gz	QVVCQQFRARIXDY-NLNAVSSVSA-N	-1	1	330.417	2.572	50	30		EFEAMM
COCc1nc([C@H]2C[C@H](Nc3cc(C)c(C#N)c(C)n3)C2)cc(=O)[n-]1	ZINC000253535555	244008776	/nfs/dbraw/zinc/00/87/76/244008776.db2.gz	CUGIVZGOVQQKFU-JOCQHMNTSA-N	-1	1	339.399	2.570	50	30		EFEAMM
C=CCn1c(=S)[n-]c(=O)c2c1NCN(CCc1ccccc1)C2	ZINC000019874763	212078490	/nfs/dbraw/zinc/07/84/90/212078490.db2.gz	DOBBKMKPGIQFTD-UHFFFAOYSA-N	-1	1	328.441	2.520	50	30		EFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(F)c1)CC(=O)N2	ZINC000004944428	210336524	/nfs/dbraw/zinc/33/65/24/210336524.db2.gz	FOJXTHUXWNAMIV-LLVKDONJSA-N	-1	1	329.356	2.521	50	30		EFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1)CC(=O)N2	ZINC000004944429	210336683	/nfs/dbraw/zinc/33/66/83/210336683.db2.gz	FOJXTHUXWNAMIV-NSHDSACASA-N	-1	1	329.356	2.521	50	30		EFEAMM
CCCCc1c(C)nc(NN=Cc2ccc(OC)c(OC)c2)[n-]c1=O	ZINC000013548625	258056146	/nfs/dbraw/zinc/05/61/46/258056146.db2.gz	ILJSRSHBYVJSLF-YBFXNURJSA-N	-1	1	344.415	2.884	50	30		EFEAMM
Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O	ZINC000004384801	295366274	/nfs/dbraw/zinc/36/62/74/295366274.db2.gz	VHTXHRSNMNSQEH-ZDUSSCGKSA-N	-1	1	342.358	2.517	50	30		EFEAMM
Cc1nc(S(=O)(=O)[N-]Cc2ccccc2)c(C#N)c(C)c1Cl	ZINC000000210937	471335981	/nfs/dbraw/zinc/33/59/81/471335981.db2.gz	FJQHNDWADHYSSI-UHFFFAOYSA-N	-1	1	335.816	2.702	50	30		EFEAMM
CC([O-])=C1C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c54)C[C@@H]3C(C)(C)N2C1=O	ZINC000004685857	471470403	/nfs/dbraw/zinc/47/04/03/471470403.db2.gz	SZINUGQCTHLQAZ-ZLIFDBKOSA-N	-1	1	336.391	2.828	50	30	in-vitro	EFEAMM
Cc1ccc2c(c1)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N2	ZINC000004962915	471480340	/nfs/dbraw/zinc/48/03/40/471480340.db2.gz	JSQULMHBYJBPPC-UHFFFAOYSA-N	-1	1	341.283	2.580	50	30		EFEAMM
CCOc1cc(C=Nn2cn[n-]c2=S)cc(Br)c1O	ZINC000005444433	471505966	/nfs/dbraw/zinc/50/59/66/471505966.db2.gz	SVZKGCMJMPXNOC-LHHJGKSTSA-N	-1	1	343.206	2.690	50	30		EFEAMM
[O-]c1c(Br)cc(Br)cc1C=Nc1nnc[nH]1	ZINC000016662135	471947041	/nfs/dbraw/zinc/94/70/41/471947041.db2.gz	XLZYRGAKSUHPJX-KGVSQERTSA-N	-1	1	345.982	2.786	50	30		EFEAMM
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[n-]c(=O)c1[C@H]2c1ccccc1	ZINC000018202340	471972338	/nfs/dbraw/zinc/97/23/38/471972338.db2.gz	ZGUPBZGPQOZDOW-ZDUSSCGKSA-N	-1	1	336.395	2.553	50	30		EFEAMM
CC1(C)CCN(NC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000071770122	472562995	/nfs/dbraw/zinc/56/29/95/472562995.db2.gz	DNIDQAKPWHMXQZ-UHFFFAOYSA-N	-1	1	345.852	2.569	50	30		EFEAMM
CC1(C)CCN(NC([O-])=NS(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000071770122	472563001	/nfs/dbraw/zinc/56/30/01/472563001.db2.gz	DNIDQAKPWHMXQZ-UHFFFAOYSA-N	-1	1	345.852	2.569	50	30		EFEAMM
Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1N=Cc1ccc(O)cc1	ZINC000102718395	472591061	/nfs/dbraw/zinc/59/10/61/472591061.db2.gz	CAZKGIHFDVJWQZ-RICWVNQTSA-N	-1	1	333.351	2.865	50	30		EFEAMM
C=CCn1c([O-])c(C(=O)Nc2ncccc2C)c(=O)c2ccccc21	ZINC000005687842	1097876214	/nfs/dbraw/zinc/87/62/14/1097876214.db2.gz	UBHXZSYVLWXLIO-UHFFFAOYSA-N	-1	1	335.363	2.849	50	30		EFEAMM
C=CCn1c([O-])c(C(=O)Nc2ccc(C)cn2)c(=O)c2ccccc21	ZINC000006533891	1098103816	/nfs/dbraw/zinc/10/38/16/1098103816.db2.gz	OTMNQTQKQIMXMK-UHFFFAOYSA-N	-1	1	335.363	2.849	50	30		EFEAMM
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)CC)cc2)C(=O)[N-]C1=S	ZINC000004723747	210260481	/nfs/dbraw/zinc/26/04/81/210260481.db2.gz	OQLCHCPPZIFEMB-YGRGUWMTSA-N	-1	1	344.436	2.677	50	30		EFEAMM
C/C(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1ccc2ccccc2c1	ZINC000004397960	210187886	/nfs/dbraw/zinc/18/78/86/210187886.db2.gz	RLVBMKVIIBPSBY-VAODSVERSA-N	-1	1	341.392	2.626	50	30		EFEAMM
C=CCn1c(-c2sc3nc4n(c(=O)c3c2C)CCC4)n[n-]c1=S	ZINC000004387489	210186377	/nfs/dbraw/zinc/18/63/77/210186377.db2.gz	ZIDNHBLGQJJPNB-UHFFFAOYSA-N	-1	1	345.453	2.820	50	30		EFEAMM
C/N=C1/S/C(=C\c2ccc([O-])c(Br)c2)C(=O)N1C	ZINC000101167531	219117949	/nfs/dbraw/zinc/11/79/49/219117949.db2.gz	RDTYDARNDCRSJY-NVWBTOBJSA-N	-1	1	327.203	2.687	50	30		EFEAMM
C[C@H](Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)[O-]	ZINC000004226867	210146959	/nfs/dbraw/zinc/14/69/59/210146959.db2.gz	FGDVFACPAXCSFV-ZETCQYMHSA-N	-1	1	335.772	2.527	50	30		EFEAMM
COC(=O)C[C@H](c1ccco1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217904725	291154351	/nfs/dbraw/zinc/15/43/51/291154351.db2.gz	HUGGNIBLSPRQAK-GFCCVEGCSA-N	-1	1	326.304	2.818	50	30	biogenic	EFEAMM
Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1nc(C)cc(=O)[n-]1	ZINC000012484769	211391978	/nfs/dbraw/zinc/39/19/78/211391978.db2.gz	PKTASKLCUSKCBA-GIJQJNRQSA-N	-1	1	342.790	2.672	50	30		EFEAMM
C#CCN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O	ZINC000012342654	211352698	/nfs/dbraw/zinc/35/26/98/211352698.db2.gz	UMLIGMGUAFOCLW-YRNVUSSQSA-N	-1	1	338.182	2.824	50	30		EFEAMM
C=CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000010360425	211167693	/nfs/dbraw/zinc/16/76/93/211167693.db2.gz	DCACISLIEOYWHG-UHFFFAOYSA-N	-1	1	330.409	2.712	50	30		EFEAMM
CCCCn1c([O-])c(C(=O)C=Cc2ccc(Cl)cc2)c(=O)[nH]c1=O	ZINC000009088497	211039170	/nfs/dbraw/zinc/03/91/70/211039170.db2.gz	JVRXJEPUWYMEAJ-RMKNXTFCSA-N	-1	1	348.786	2.592	50	30		EFEAMM
O=C1c2ccccc2S(=O)(=O)[N-]/C1=C\C1=Cc2ccccc2OC1	ZINC000008992958	285025376	/nfs/dbraw/zinc/02/53/76/285025376.db2.gz	VUAODTJGIVJGSV-GDNBJRDFSA-N	-1	1	339.372	2.521	50	30		EFEAMM
O=C([O-])c1cc(/C=C/C(=O)c2cc(F)ccc2O)c2c(c1)COCO2	ZINC000004770141	210274063	/nfs/dbraw/zinc/27/40/63/210274063.db2.gz	DYRKPVJVCHHSEL-HNQUOIGGSA-N	-1	1	344.294	2.992	50	30		EFEAMM
Cc1cccc2c1NC(=O)C2=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004737447	274799385	/nfs/dbraw/zinc/79/93/85/274799385.db2.gz	RZWPAPJQPIQIFG-UHFFFAOYSA-N	-1	1	341.283	2.580	50	30		EFEAMM
COc1cc(OC)c([C@@H]2Nc3ccccc3C(=O)N2[O-])cc1OC	ZINC000001015938	471378566	/nfs/dbraw/zinc/37/85/66/471378566.db2.gz	YAQYLMZJDJDDNN-MRXNPFEDSA-N	-1	1	330.340	2.668	50	30		EFEAMM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000004037891	471458459	/nfs/dbraw/zinc/45/84/59/471458459.db2.gz	HBDFAJNGAOMTDN-MRXNPFEDSA-N	-1	1	337.331	2.874	50	30		EFEAMM
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[n-]c(=O)c1[C@@H]2c1ccccc1	ZINC000009332544	471713278	/nfs/dbraw/zinc/71/32/78/471713278.db2.gz	ZGUPBZGPQOZDOW-CYBMUJFWSA-N	-1	1	336.395	2.553	50	30		EFEAMM
N#Cc1c2c(sc1N/C=C1/C(=O)[N-]C(=S)NC1=O)CCCC2	ZINC000017027311	471952748	/nfs/dbraw/zinc/95/27/48/471952748.db2.gz	LVLBCJFIWPNXPX-UHFFFAOYSA-N	-1	1	332.410	2.577	50	30		EFEAMM
N#Cc1c2c(sc1N/C=C1\C(=O)[N-]C(=S)NC1=O)CCCC2	ZINC000017027311	471952753	/nfs/dbraw/zinc/95/27/53/471952753.db2.gz	LVLBCJFIWPNXPX-UHFFFAOYSA-N	-1	1	332.410	2.577	50	30		EFEAMM
N#Cc1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)CCCC2	ZINC000017027311	471952759	/nfs/dbraw/zinc/95/27/59/471952759.db2.gz	LVLBCJFIWPNXPX-UHFFFAOYSA-N	-1	1	332.410	2.577	50	30		EFEAMM
O=[N+]([O-])c1cccc(C=N[N-]c2nc3nc4ccccc4c-3[nH][nH+]2)c1[O-]	ZINC000036075073	471997892	/nfs/dbraw/zinc/99/78/92/471997892.db2.gz	NGQOOZFSDQRCBC-CAOOACKPSA-N	-1	1	349.310	2.566	50	30		EFEAMM
CC([O-])=C1C(=O)[C@@H]2[C@@H]3c4c[nH]c5cccc(c54)C[C@@H]3C(C)(C)N2C1=O	ZINC000100151253	472525890	/nfs/dbraw/zinc/52/58/90/472525890.db2.gz	SZINUGQCTHLQAZ-VUCTXSBTSA-N	-1	1	336.391	2.828	50	30	in-vitro	EFEAMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)C12CC3CC(CC(C3)C1)C2	ZINC000072433979	472663426	/nfs/dbraw/zinc/66/34/26/472663426.db2.gz	PRXGKFOECRVXLF-PKSKUXCISA-N	-1	1	349.456	2.641	50	30		EFEAMM
C[C@@H](Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)[O-]	ZINC000004226868	210146801	/nfs/dbraw/zinc/14/68/01/210146801.db2.gz	FGDVFACPAXCSFV-SSDOTTSWSA-N	-1	1	335.772	2.527	50	30		EFEAMM
COc1ccc(NC(=O)C([O-])=CC(=O)c2ccc(OC)cc2)cc1	ZINC000102860831	219235789	/nfs/dbraw/zinc/23/57/89/219235789.db2.gz	YIUGQHDDKDVJLK-WJDWOHSUSA-N	-1	1	327.336	2.811	50	30		EFEAMM
COc1cc(C=NNc2nc3ccccc3s2)cc([N+](=O)[O-])c1[O-]	ZINC000036287804	213082284	/nfs/dbraw/zinc/08/22/84/213082284.db2.gz	KSZAFFRWOCWNFB-LZYBPNLTSA-N	-1	1	344.352	2.787	50	30		EFEAMM
COc1cc([N+](=O)[O-])cc(C=NNc2nc3ccccc3[nH]2)c1[O-]	ZINC000036047438	213058033	/nfs/dbraw/zinc/05/80/33/213058033.db2.gz	VEIJRIJOAOYIRM-LZYBPNLTSA-N	-1	1	327.300	2.631	50	30		EFEAMM
CCCCCCC(=O)N([O-])[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O	ZINC000005047305	210374429	/nfs/dbraw/zinc/37/44/29/210374429.db2.gz	ZQWLHJKRSHPQKB-CQSZACIVSA-N	-1	1	336.363	2.646	50	30		EFEAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1	ZINC000000288026	471343915	/nfs/dbraw/zinc/34/39/15/471343915.db2.gz	BWHKXVBTBXDFNY-UHFFFAOYSA-N	-1	1	349.799	2.971	50	30		EFEAMM
N#Cc1c([N-]C(=O)c2nc3ncccn3n2)sc2c1CCCCC2	ZINC000000923993	471377828	/nfs/dbraw/zinc/37/78/28/471377828.db2.gz	KLSSRSFUZAHREQ-UHFFFAOYSA-N	-1	1	338.396	2.579	50	30		EFEAMM
CCOC(=O)COc1cc(Br)c(/C=N/[O-])cc1OCC	ZINC000001019128	471380277	/nfs/dbraw/zinc/38/02/77/471380277.db2.gz	LSVAUJYCAJTDSE-VIZOYTHASA-N	-1	1	346.177	2.598	50	30		EFEAMM
COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)cc2c1OCCO2	ZINC000008764763	471705259	/nfs/dbraw/zinc/70/52/59/471705259.db2.gz	XURFTPFINOLREX-NSIKDUERSA-N	-1	1	326.304	2.788	50	30	biogenic	EFEAMM
C/C(=N/N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc2ccccc2c1	ZINC000015230039	471893672	/nfs/dbraw/zinc/89/36/72/471893672.db2.gz	RLVBMKVIIBPSBY-SAGYFLTASA-N	-1	1	341.392	2.626	50	30		EFEAMM
COc1c2c(cc3c1[C@@H](C/C(=N/[O-])C(F)(F)F)N(C)CC3)OCO2	ZINC000020411374	471989652	/nfs/dbraw/zinc/98/96/52/471989652.db2.gz	SSLINGPLJYLXKA-DAPYGLKOSA-N	-1	1	346.305	2.736	50	30	biogenic	EFEAMM
O=C(OC/C(=N\[O-])c1ccc(Br)cc1)c1ccccn1	ZINC000102519847	472580794	/nfs/dbraw/zinc/58/07/94/472580794.db2.gz	OZGMFFFNRUJWFE-GHRIWEEISA-N	-1	1	335.157	2.879	50	30		EFEAMM
C=CCc1c(C)nc(SCC(=O)Nc2ccc(C)cc2)[n-]c1=O	ZINC000018250785	519122901	/nfs/dbraw/zinc/12/29/01/519122901.db2.gz	HLFSXDIXKACHOD-UHFFFAOYSA-N	-1	1	329.425	2.846	50	30		EFEAMM
N#Cc1ccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1	ZINC000826779474	1295996716	/nfs/dbraw/zinc/99/67/16/1295996716.db2.gz	NEZSFJJMQDRNAU-CQSZACIVSA-N	-1	1	349.394	2.518	50	30		EFEAMM