smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1n[n-]c(C(F)(F)F)n1	ZINC000026253391	527460554	/nfs/dbraw/zinc/46/05/54/527460554.db2.gz	LZLPATZJEKXHOX-UHFFFAOYSA-N	-1	1	412.397	3.152	50	30		HGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000008743979	557804328	/nfs/dbraw/zinc/80/43/28/557804328.db2.gz	XQIAKEXZEMSQOT-GOSISDBHSA-N	-1	1	410.382	3.376	50	30		HGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F	ZINC000004427140	558536890	/nfs/dbraw/zinc/53/68/90/558536890.db2.gz	CVOMWTPFVYKXFD-GROYHEBESA-N	-1	1	403.793	3.376	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccccc2F)cc1	ZINC000013569841	558844431	/nfs/dbraw/zinc/84/44/31/558844431.db2.gz	GCOPRWVVVRQHBL-SFHVURJKSA-N	-1	1	405.385	3.407	50	30		HGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000009233643	559070540	/nfs/dbraw/zinc/07/05/40/559070540.db2.gz	FIKNMRWGUMMGNI-AWEZNQCLSA-N	-1	1	412.383	3.131	50	30		HGEAMM
Cc1cccc(C(=O)N(Cc2ccc(C#N)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)c1	ZINC000101878206	560804284	/nfs/dbraw/zinc/80/42/84/560804284.db2.gz	LZJQONNDVRSXSJ-UHFFFAOYSA-N	-1	1	412.453	3.062	50	30		HGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102490706	560812123	/nfs/dbraw/zinc/81/21/23/560812123.db2.gz	VRTMGWOESDYSAA-GHNGSUTGSA-N	-1	1	416.393	3.320	50	30		HGEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1	ZINC000102803362	560826446	/nfs/dbraw/zinc/82/64/46/560826446.db2.gz	VLTNUEMAOSBZGV-HVESIFNPSA-N	-1	1	409.354	3.419	50	30		HGEAMM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCC(=O)[O-]	ZINC000019904640	568585468	/nfs/dbraw/zinc/58/54/68/568585468.db2.gz	VOYFRXGXZLYACA-GOSISDBHSA-N	-1	1	415.829	3.402	50	30		HGEAMM
COc1ccc(OC)c(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\[O-])c1	ZINC000020111850	568588762	/nfs/dbraw/zinc/58/87/62/568588762.db2.gz	MEQCWZDHMLUXBP-CXJVOSNZSA-N	-1	1	414.458	3.239	50	30	biogenic	HGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000005988151	568834389	/nfs/dbraw/zinc/83/43/89/568834389.db2.gz	OGJUXLCXCHQMNM-LJQANCHMSA-N	-1	1	417.421	3.277	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000005988151	568834390	/nfs/dbraw/zinc/83/43/90/568834390.db2.gz	OGJUXLCXCHQMNM-LJQANCHMSA-N	-1	1	417.421	3.277	50	30		HGEAMM
C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc1OC	ZINC000008739192	568983447	/nfs/dbraw/zinc/98/34/47/568983447.db2.gz	IXOADLRRXGZYEG-INIZCTEOSA-N	-1	1	403.438	3.484	50	30		HGEAMM
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)[N-]C1=S	ZINC000012343706	568994963	/nfs/dbraw/zinc/99/49/63/568994963.db2.gz	SCTAJSLLQREWAF-LCYFTJDESA-N	-1	1	417.830	3.321	50	30		HGEAMM
Cc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)c(C)n1-c1ccc(Cl)cc1	ZINC000006545747	569064824	/nfs/dbraw/zinc/06/48/24/569064824.db2.gz	YEWGBFUXFOUMRY-UPWAIKHBSA-N	-1	1	404.879	3.144	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000006813806	569137296	/nfs/dbraw/zinc/13/72/96/569137296.db2.gz	XZDFEUDEWICCIN-QGZVFWFLSA-N	-1	1	402.366	3.168	50	30		HGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000008827564	571122444	/nfs/dbraw/zinc/12/24/44/571122444.db2.gz	AZZSKKKSEPSTFS-GOSISDBHSA-N	-1	1	422.393	3.454	50	30		HGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000001155423	557213481	/nfs/dbraw/zinc/21/34/81/557213481.db2.gz	IIBWHQNCPUPLJW-SFHVURJKSA-N	-1	1	416.393	3.476	50	30		HGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000020057407	558328675	/nfs/dbraw/zinc/32/86/75/558328675.db2.gz	BXHXRJOYBKUYND-SFHVURJKSA-N	-1	1	410.382	3.038	50	30		HGEAMM
O=C1Nc2ccc(Cl)cc2/C1=N\[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000017083044	558815472	/nfs/dbraw/zinc/81/54/72/558815472.db2.gz	MTOQGNINZVHBQL-UHFFFAOYSA-N	-1	1	404.662	3.282	50	30		HGEAMM
CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000005445209	560588051	/nfs/dbraw/zinc/58/80/51/560588051.db2.gz	QQTFBAXCAVVIPI-GHNGSUTGSA-N	-1	1	402.853	3.462	50	30		HGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000102723788	560821518	/nfs/dbraw/zinc/82/15/18/560821518.db2.gz	LPQPSFXYPNQYAN-NHFXJNLRSA-N	-1	1	409.438	3.290	50	30		HGEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccnc2)cc1	ZINC000102925185	560834238	/nfs/dbraw/zinc/83/42/38/560834238.db2.gz	PHJSZPMLOACCKO-WOOAAIBNSA-N	-1	1	405.410	3.403	50	30		HGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102930910	560835454	/nfs/dbraw/zinc/83/54/54/560835454.db2.gz	GRDDLBHKOHOWJZ-UYTDBDHRSA-N	-1	1	422.422	3.381	50	30		HGEAMM
N#CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	ZINC000057476026	568839524	/nfs/dbraw/zinc/83/95/24/568839524.db2.gz	QOFUZUGUZHOODK-UHFFFAOYSA-N	-1	1	416.455	3.109	50	30		HGEAMM
O=C1Nc2ccc(Br)cc2C1=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000015636278	568957244	/nfs/dbraw/zinc/95/72/44/568957244.db2.gz	XXBNGUYBWHMOGC-UHFFFAOYSA-N	-1	1	406.152	3.034	50	30		HGEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1cccnc1	ZINC000004292291	568963462	/nfs/dbraw/zinc/96/34/62/568963462.db2.gz	NKKSRLCWAXJGAR-INIZCTEOSA-N	-1	1	412.515	3.474	50	30		HGEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000005095365	557635336	/nfs/dbraw/zinc/63/53/36/557635336.db2.gz	WFASQZJDIMSWIS-OAHLLOKOSA-N	-1	1	411.483	3.421	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	ZINC000008836928	557811463	/nfs/dbraw/zinc/81/14/63/557811463.db2.gz	SGTZEFCORPMJNC-QGZVFWFLSA-N	-1	1	420.356	3.307	50	30		HGEAMM
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2[O-])cc1Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000000650552	558829799	/nfs/dbraw/zinc/82/97/99/558829799.db2.gz	GFYGVIBNZGKTOU-HXUWFJFHSA-N	-1	1	423.429	3.421	50	30		HGEAMM
C=CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)[N-]C1=S	ZINC000004593553	558831696	/nfs/dbraw/zinc/83/16/96/558831696.db2.gz	SEXGIEBCSZPANH-UZLBHIALSA-N	-1	1	414.487	3.156	50	30		HGEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000102511609	560815162	/nfs/dbraw/zinc/81/51/62/560815162.db2.gz	FJLPHTHWSPZEAK-SELCWUDQSA-N	-1	1	410.382	3.225	50	30		HGEAMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1-c1ccc2c(c1)OCCO2	ZINC000089591315	569260876	/nfs/dbraw/zinc/26/08/76/569260876.db2.gz	VVYQZAIEWOSLRV-UHFFFAOYSA-N	-1	1	410.455	3.137	50	30		HGEAMM
COC(=O)C[C@H](c1cccnc1)c1c2c(ccc1[O-])C(=O)/C(=C/c1cccn1C)O2	ZINC000253412978	569366711	/nfs/dbraw/zinc/36/67/11/569366711.db2.gz	SQGQEYVPHWKSDS-HPKGMJOESA-N	-1	1	404.422	3.437	50	30	biogenic	HGEAMM
CCOC(=O)C(C#N)=N[N-]c1cc(Cl)c(NC(=O)c2ccccc2)cc1OC	ZINC000004579380	557569708	/nfs/dbraw/zinc/56/97/08/557569708.db2.gz	BFDFFPYNHPWYSE-JLPGSUDCSA-N	-1	1	400.822	3.455	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(O)c1)C1=C(CCCC1=O)N2	ZINC000006459004	557703526	/nfs/dbraw/zinc/70/35/26/557703526.db2.gz	MDJKCNJQQVYUEL-MRXNPFEDSA-N	-1	1	411.483	3.327	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000008838262	557811731	/nfs/dbraw/zinc/81/17/31/557811731.db2.gz	KCISJCAAFLLEOV-KRWDZBQOSA-N	-1	1	420.356	3.307	50	30		HGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F	ZINC000004427142	558536783	/nfs/dbraw/zinc/53/67/83/558536783.db2.gz	CVOMWTPFVYKXFD-HVESIFNPSA-N	-1	1	403.793	3.376	50	30		HGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000018155520	560780330	/nfs/dbraw/zinc/78/03/30/560780330.db2.gz	ZDYWSJJTIPXVIC-LJQANCHMSA-N	-1	1	413.401	3.277	50	30		HGEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccnc1	ZINC000102748888	560824384	/nfs/dbraw/zinc/82/43/84/560824384.db2.gz	UGJNEZYDWVVMAO-LFVOPCPISA-N	-1	1	405.385	3.251	50	30		HGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000102930692	560835382	/nfs/dbraw/zinc/83/53/82/560835382.db2.gz	YTGAPFKRESYPEE-IBOXJLQUSA-N	-1	1	422.422	3.381	50	30		HGEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102537459	525942555	/nfs/dbraw/zinc/94/25/55/525942555.db2.gz	WRNXZYFUZCUNGQ-LFVOPCPISA-N	-1	1	424.409	3.190	50	30		HGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000019848743	558295126	/nfs/dbraw/zinc/29/51/26/558295126.db2.gz	ZDYWSJJTIPXVIC-IBGZPJMESA-N	-1	1	413.401	3.277	50	30		HGEAMM
CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000017782208	558827919	/nfs/dbraw/zinc/82/79/19/558827919.db2.gz	FYIVEXBQCOFYPR-HXUWFJFHSA-N	-1	1	408.454	3.196	50	30		HGEAMM
C=CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)[N-]C1=S	ZINC000004593552	558831713	/nfs/dbraw/zinc/83/17/13/558831713.db2.gz	SEXGIEBCSZPANH-OXQOHEQNSA-N	-1	1	414.487	3.156	50	30		HGEAMM
Cc1ccccc1C(=O)N(Cc1ccc(C#N)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000101878196	560804280	/nfs/dbraw/zinc/80/42/80/560804280.db2.gz	RHXNQTIDIDNUSK-UHFFFAOYSA-N	-1	1	412.453	3.062	50	30		HGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102490714	560812109	/nfs/dbraw/zinc/81/21/09/560812109.db2.gz	VRTMGWOESDYSAA-SELCWUDQSA-N	-1	1	416.393	3.320	50	30		HGEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102537452	560813965	/nfs/dbraw/zinc/81/39/65/560813965.db2.gz	WRNXZYFUZCUNGQ-WOOAAIBNSA-N	-1	1	424.409	3.190	50	30		HGEAMM
COc1cc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)ccc1O	ZINC000102895798	560833353	/nfs/dbraw/zinc/83/33/53/560833353.db2.gz	FBCNINPIXZBCLE-WOOAAIBNSA-N	-1	1	406.394	3.324	50	30		HGEAMM
COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000102895798	560833354	/nfs/dbraw/zinc/83/33/54/560833354.db2.gz	FBCNINPIXZBCLE-WOOAAIBNSA-N	-1	1	406.394	3.324	50	30		HGEAMM
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])c1	ZINC000019898761	568585373	/nfs/dbraw/zinc/58/53/73/568585373.db2.gz	FCDOSIAEIJGSJX-FQEVSTJZSA-N	-1	1	409.438	3.447	50	30		HGEAMM
COC(=O)CC(c1cc2ccccc2[nH]c1=O)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217923472	568919949	/nfs/dbraw/zinc/91/99/49/568919949.db2.gz	DDNGITNEZQVRHB-OAHLLOKOSA-N	-1	1	403.390	3.066	50	30	biogenic	HGEAMM
O=C([N-]c1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1ccccc1[N+](=O)[O-]	ZINC000001883224	569056922	/nfs/dbraw/zinc/05/69/22/569056922.db2.gz	QMXJJQZQYINMPM-VIZOYTHASA-N	-1	1	404.389	3.419	50	30		HGEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000009185756	571234925	/nfs/dbraw/zinc/23/49/25/571234925.db2.gz	NHEYQZXOONZWFR-SFHVURJKSA-N	-1	1	410.382	3.376	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000008904827	557813680	/nfs/dbraw/zinc/81/36/80/557813680.db2.gz	KCISJCAAFLLEOV-QGZVFWFLSA-N	-1	1	420.356	3.307	50	30		HGEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009233057	557831027	/nfs/dbraw/zinc/83/10/27/557831027.db2.gz	QBPDMSZDTNRYNU-CYBMUJFWSA-N	-1	1	414.424	3.291	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)cc1	ZINC000012970076	558488690	/nfs/dbraw/zinc/48/86/90/558488690.db2.gz	UYHYEBJJFLUVGL-SFHVURJKSA-N	-1	1	405.385	3.407	50	30		HGEAMM
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1	ZINC000016753817	558805335	/nfs/dbraw/zinc/80/53/35/558805335.db2.gz	ZFADRDWJLGJHGQ-UHFFFAOYSA-N	-1	1	424.935	3.378	50	30		HGEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1	ZINC000024249378	559280156	/nfs/dbraw/zinc/28/01/56/559280156.db2.gz	GMFLPPKMYFSLPL-UHFFFAOYSA-N	-1	1	421.265	3.212	50	30		HGEAMM
Cc1ccccc1-n1c(=O)c(C=NN2CCOCC2)c([O-])n(-c2ccccc2)c1=S	ZINC000102887812	560832796	/nfs/dbraw/zinc/83/27/96/560832796.db2.gz	MHDGDNLJUWCWKI-HZHRSRAPSA-N	-1	1	422.510	3.038	50	30		HGEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccco2)nc1C	ZINC000102879679	560833629	/nfs/dbraw/zinc/83/36/29/560833629.db2.gz	NZJDYEMHMKUKJL-IDTYTIONSA-N	-1	1	424.434	3.457	50	30		HGEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1ccccc1F	ZINC000020309156	568598127	/nfs/dbraw/zinc/59/81/27/568598127.db2.gz	DURKYYMSUNESTG-GOSISDBHSA-N	-1	1	418.852	3.325	50	30		HGEAMM
C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000008722219	568983492	/nfs/dbraw/zinc/98/34/92/568983492.db2.gz	POUNICKJSPMAFE-WOJGMQOQSA-N	-1	1	422.437	3.271	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(C)N2	ZINC000013362719	568999131	/nfs/dbraw/zinc/99/91/31/568999131.db2.gz	XTDZUUNSUKKTKK-INIZCTEOSA-N	-1	1	413.499	3.451	50	30		HGEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c1	ZINC000065115318	569179342	/nfs/dbraw/zinc/17/93/42/569179342.db2.gz	YMLDRJDMMHYSCV-UHFFFAOYSA-N	-1	1	410.455	3.126	50	30		HGEAMM
CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000009242599	571241021	/nfs/dbraw/zinc/24/10/21/571241021.db2.gz	BANTZRXWPPODQG-GOSISDBHSA-N	-1	1	410.382	3.463	50	30		HGEAMM
C=CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[n-]2)C1	ZINC000049421331	518918454	/nfs/dbraw/zinc/91/84/54/518918454.db2.gz	WGZTWJJHHNGSJC-OAHLLOKOSA-N	-1	1	424.526	3.179	50	30		HGEAMM
CC([O-])=C1C(=O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001066150	557166560	/nfs/dbraw/zinc/16/65/60/557166560.db2.gz	AKPCABDSQNZFRP-HNNXBMFYSA-N	-1	1	418.203	3.241	50	30		HGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008817957	557809847	/nfs/dbraw/zinc/80/98/47/557809847.db2.gz	SMHUKIXONSLMGZ-GOSISDBHSA-N	-1	1	416.393	3.476	50	30		HGEAMM
CCOC(=O)C(C#N)=N[N-]c1cc(Cl)c(NC(=O)c2ccccc2)cc1OC	ZINC000252592381	559278514	/nfs/dbraw/zinc/27/85/14/559278514.db2.gz	BFDFFPYNHPWYSE-UHFFFAOYSA-N	-1	1	400.822	3.455	50	30		HGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000102930695	560835400	/nfs/dbraw/zinc/83/54/00/560835400.db2.gz	YTGAPFKRESYPEE-UYTDBDHRSA-N	-1	1	422.422	3.381	50	30		HGEAMM
CCOC(=O)c1cc(C#N)c(Sc2nc(C(F)(F)F)n[n-]2)nc1C(F)(F)F	ZINC000003129614	568856697	/nfs/dbraw/zinc/85/66/97/568856697.db2.gz	WQIRGPAQZYYZHS-UHFFFAOYSA-N	-1	1	411.287	3.437	50	30		HGEAMM
CCOC(=O)c1cc(C#N)c(Sc2n[n-]c(C(F)(F)F)n2)nc1C(F)(F)F	ZINC000003129614	568856699	/nfs/dbraw/zinc/85/66/99/568856699.db2.gz	WQIRGPAQZYYZHS-UHFFFAOYSA-N	-1	1	411.287	3.437	50	30		HGEAMM
COC(=O)CC(c1coc2ccccc2c1=O)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217886084	568918187	/nfs/dbraw/zinc/91/81/87/568918187.db2.gz	LQKUAJCZYAILSD-OAHLLOKOSA-N	-1	1	404.374	3.331	50	30	biogenic	HGEAMM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1CCCC(=O)[O-]	ZINC000019790190	569429871	/nfs/dbraw/zinc/42/98/71/569429871.db2.gz	OJPALTAREOUDIJ-HXUWFJFHSA-N	-1	1	409.438	3.447	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)c3cc(=O)[nH]c4ccccc43)n2)n[n-]c1=S	ZINC000030688703	519194255	/nfs/dbraw/zinc/19/42/55/519194255.db2.gz	NXVWMAPEYQBGCU-UHFFFAOYSA-N	-1	1	424.511	3.268	50	30		HGEAMM
CC([O-])=C1C(=O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001066157	557166582	/nfs/dbraw/zinc/16/65/82/557166582.db2.gz	AKPCABDSQNZFRP-OAHLLOKOSA-N	-1	1	418.203	3.241	50	30		HGEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000006001593	557683891	/nfs/dbraw/zinc/68/38/91/557683891.db2.gz	DRCNIRNCXABRHY-MRXNPFEDSA-N	-1	1	413.499	3.464	50	30		HGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000009044772	557820351	/nfs/dbraw/zinc/82/03/51/557820351.db2.gz	ZCZVZSWKEHAHCH-AWEZNQCLSA-N	-1	1	412.383	3.131	50	30		HGEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1ccc(F)cc1	ZINC000020309193	558354688	/nfs/dbraw/zinc/35/46/88/558354688.db2.gz	WWSHAYZVGFXWCD-SFHVURJKSA-N	-1	1	418.852	3.325	50	30		HGEAMM
C=CCN(CC=C)C(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000004435379	558558343	/nfs/dbraw/zinc/55/83/43/558558343.db2.gz	HYJMDWDPLLOXCV-SFHVURJKSA-N	-1	1	415.833	3.035	50	30		HGEAMM
Cc1cc2c(c(Br)c1)NC(=O)C2=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000015018386	558702935	/nfs/dbraw/zinc/70/29/35/558702935.db2.gz	HAEUQMXRLSUORM-UHFFFAOYSA-N	-1	1	420.179	3.342	50	30		HGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3ccccc3Cl)cc2)NC1=O	ZINC000016115076	558772426	/nfs/dbraw/zinc/77/24/26/558772426.db2.gz	WMHSRISSIKRXCQ-CTJICSLTSA-N	-1	1	417.874	3.315	50	30		HGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000017138499	558823738	/nfs/dbraw/zinc/82/37/38/558823738.db2.gz	NAXXROMCXCZDOO-SFHVURJKSA-N	-1	1	410.382	3.038	50	30		HGEAMM
CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2s1	ZINC000033299015	559048314	/nfs/dbraw/zinc/04/83/14/559048314.db2.gz	SYDPHYKUZUAJJD-UHFFFAOYSA-N	-1	1	421.525	3.152	50	30		HGEAMM
COC(=O)c1nn(-c2ccccc2)c(Sc2ccccc2C(=O)OC)c1/C=N/[O-]	ZINC000100281765	559192449	/nfs/dbraw/zinc/19/24/49/559192449.db2.gz	DZTAGSVBISNKPV-CIAFOILYSA-N	-1	1	411.439	3.405	50	30		HGEAMM
N#Cc1c2c(sc1NC(=O)CSc1nc3c(c(=O)[n-]1)CCCC3)CCCC2	ZINC000011905518	559266407	/nfs/dbraw/zinc/26/64/07/559266407.db2.gz	SWJWTFDQUMMERC-UHFFFAOYSA-N	-1	1	400.529	3.191	50	30		HGEAMM
CCCOc1ccc([C@@H]2C3=C(Nc4nc(N)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000005343751	560566714	/nfs/dbraw/zinc/56/67/14/560566714.db2.gz	MOOMDGWLZCBIKE-MRXNPFEDSA-N	-1	1	400.438	3.306	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccnc2)c(OC)c1	ZINC000102745551	560823948	/nfs/dbraw/zinc/82/39/48/560823948.db2.gz	NGWYNTXXHMBFQD-HVESIFNPSA-N	-1	1	423.450	3.182	50	30		HGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000102804565	560826954	/nfs/dbraw/zinc/82/69/54/560826954.db2.gz	XZRASKOXVGHHDN-SELCWUDQSA-N	-1	1	410.382	3.220	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N2	ZINC000046074481	568426793	/nfs/dbraw/zinc/42/67/93/568426793.db2.gz	LTTMNODSYQWGCM-LLVKDONJSA-N	-1	1	404.879	3.074	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2	ZINC000046074451	568426826	/nfs/dbraw/zinc/42/68/26/568426826.db2.gz	WDZUVVYGSXZCGY-LLVKDONJSA-N	-1	1	424.404	3.131	50	30		HGEAMM
CCCCCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O	ZINC000003045479	568848855	/nfs/dbraw/zinc/84/88/55/568848855.db2.gz	LBDDGWIGTNESOR-UHFFFAOYSA-N	-1	1	421.563	3.259	50	30		HGEAMM
N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)cc1	ZINC000012560734	568858182	/nfs/dbraw/zinc/85/81/82/568858182.db2.gz	UQTNUXFZWMWVRM-UHFFFAOYSA-N	-1	1	421.434	3.340	50	30		HGEAMM
COc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000001767212	569052227	/nfs/dbraw/zinc/05/22/27/569052227.db2.gz	HIRGXXPHWJUVDY-CQSZACIVSA-N	-1	1	415.452	3.097	50	30		HGEAMM
C=CCNC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1	ZINC000064611785	569074490	/nfs/dbraw/zinc/07/44/90/569074490.db2.gz	BDVRVHKGPSAMTK-UHFFFAOYSA-N	-1	1	408.527	3.479	50	30		HGEAMM
COc1ccccc1NC(=O)Cc1sc(NN=C2CCCc3ccccc32)nc1[O-]	ZINC000013132733	569211496	/nfs/dbraw/zinc/21/14/96/569211496.db2.gz	AGVWNLBHZFOXNP-IBGZPJMESA-N	-1	1	422.510	3.352	50	30		HGEAMM
O=C([N-]c1nnc(/N=C/c2cccs2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000027469545	527531869	/nfs/dbraw/zinc/53/18/69/527531869.db2.gz	VJVBJWRGSZICRM-VIZOYTHASA-N	-1	1	404.389	3.419	50	30		HGEAMM
COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000008743980	557804405	/nfs/dbraw/zinc/80/44/05/557804405.db2.gz	XQIAKEXZEMSQOT-SFHVURJKSA-N	-1	1	410.382	3.376	50	30		HGEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccnc1	ZINC000102748885	560824418	/nfs/dbraw/zinc/82/44/18/560824418.db2.gz	UGJNEZYDWVVMAO-WOOAAIBNSA-N	-1	1	405.385	3.251	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2	ZINC000046074454	568426844	/nfs/dbraw/zinc/42/68/44/568426844.db2.gz	WOKHVYKLVDAESC-NSHDSACASA-N	-1	1	424.404	3.131	50	30		HGEAMM
CC(=NNc1nnc(SCC(=O)c2ccc3c(c2)OCO3)[n-]1)c1ccc(F)cc1	ZINC000020608319	518467406	/nfs/dbraw/zinc/46/74/06/518467406.db2.gz	JKBUHEFQZHBNRE-SSDVNMTOSA-N	-1	1	413.434	3.484	50	30		HGEAMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)C(=O)[N-]C1=S	ZINC000009323249	518824875	/nfs/dbraw/zinc/82/48/75/518824875.db2.gz	RIKHTVHODFRGEG-CXUHLZMHSA-N	-1	1	424.551	3.457	50	30		HGEAMM
C=CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4C)c3[n-]2)C1	ZINC000049421415	518928884	/nfs/dbraw/zinc/92/88/84/518928884.db2.gz	HHZJINYGMHRLPF-HNNXBMFYSA-N	-1	1	408.527	3.479	50	30		HGEAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCN3)c2)cc1	ZINC000022358764	519838795	/nfs/dbraw/zinc/83/87/95/519838795.db2.gz	KVSAKHUMYKICDF-UHFFFAOYSA-N	-1	1	421.544	3.081	50	30		HGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000005817922	557676163	/nfs/dbraw/zinc/67/61/63/557676163.db2.gz	VLTYQVNOCRPEFI-MRXNPFEDSA-N	-1	1	411.414	3.469	50	30		HGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000020057409	558328738	/nfs/dbraw/zinc/32/87/38/558328738.db2.gz	BXHXRJOYBKUYND-GOSISDBHSA-N	-1	1	410.382	3.038	50	30		HGEAMM
C=C(C)COc1ccc([C@H](CC(=O)OC)c2c([O-])nc3ccccn3c2=O)cc1OC	ZINC000205961498	559190237	/nfs/dbraw/zinc/19/02/37/559190237.db2.gz	WBDHGNQYCDTBPZ-INIZCTEOSA-N	-1	1	424.453	3.059	50	30		HGEAMM
CCCCCCCCN1C(=O)C(=C(C)NCCCOCC2CC2)C(=O)[N-]C1=S	ZINC000101151964	560787043	/nfs/dbraw/zinc/78/70/43/560787043.db2.gz	VFUZBMAZIZVOMX-VLGSPTGOSA-N	-1	1	409.596	3.271	50	30		HGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000102430037	560810875	/nfs/dbraw/zinc/81/08/75/560810875.db2.gz	CKSHKRADOIPSDX-LFVOPCPISA-N	-1	1	417.421	3.120	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000102430037	560810877	/nfs/dbraw/zinc/81/08/77/560810877.db2.gz	CKSHKRADOIPSDX-LFVOPCPISA-N	-1	1	417.421	3.120	50	30		HGEAMM
COc1cc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nccs2)ccc1O	ZINC000102487485	560811896	/nfs/dbraw/zinc/81/18/96/560811896.db2.gz	BEEDLDNFHQNDQD-HVESIFNPSA-N	-1	1	408.435	3.484	50	30		HGEAMM
COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nccs2)ccc1O	ZINC000102487485	560811898	/nfs/dbraw/zinc/81/18/98/560811898.db2.gz	BEEDLDNFHQNDQD-HVESIFNPSA-N	-1	1	408.435	3.484	50	30		HGEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000102496337	560812381	/nfs/dbraw/zinc/81/23/81/560812381.db2.gz	KGQHIWYQRKGKIY-MRJHHRETSA-N	-1	1	422.481	3.348	50	30		HGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000102528723	560816450	/nfs/dbraw/zinc/81/64/50/560816450.db2.gz	VBGSMGRSHDUPEQ-IBOXJLQUSA-N	-1	1	422.422	3.381	50	30		HGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102717726	560823390	/nfs/dbraw/zinc/82/33/90/560823390.db2.gz	OEGTYJXQBZEYCM-LFVOPCPISA-N	-1	1	418.405	3.396	50	30		HGEAMM
CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000102868397	560832687	/nfs/dbraw/zinc/83/26/87/560832687.db2.gz	WVUJSSYSGOAFAL-SELCWUDQSA-N	-1	1	410.382	3.307	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000102925811	560834380	/nfs/dbraw/zinc/83/43/80/560834380.db2.gz	YTTIVEVKWFPWRZ-HVESIFNPSA-N	-1	1	420.356	3.150	50	30		HGEAMM
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217822553	568914579	/nfs/dbraw/zinc/91/45/79/568914579.db2.gz	ABDVJRZXPHWFCE-HNNXBMFYSA-N	-1	1	424.405	3.004	50	30	biogenic	HGEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1cccnc1	ZINC000004292292	568963543	/nfs/dbraw/zinc/96/35/43/568963543.db2.gz	NKKSRLCWAXJGAR-MRXNPFEDSA-N	-1	1	412.515	3.474	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)n[n-]c1=S	ZINC000024753726	519194575	/nfs/dbraw/zinc/19/45/75/519194575.db2.gz	ZAWMWLPGKVEOLR-UHFFFAOYSA-N	-1	1	417.516	3.443	50	30		HGEAMM
CCOC(=O)[C@@H]1CCCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cccnc2)O3)C1	ZINC000041586343	521113607	/nfs/dbraw/zinc/11/36/07/521113607.db2.gz	GWFBZZXKEFNGSF-LELXDKESSA-N	-1	1	422.481	3.487	50	30		HGEAMM
O=C([O-])CC1S/C(=N/N=C/c2cn(Cc3ccccc3)c3ccccc23)NC1=O	ZINC000004755604	557593511	/nfs/dbraw/zinc/59/35/11/557593511.db2.gz	NUXWBQQZYWVHHQ-QPHXDFOYSA-N	-1	1	406.467	3.086	50	30		HGEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000005095364	557635318	/nfs/dbraw/zinc/63/53/18/557635318.db2.gz	WFASQZJDIMSWIS-HNNXBMFYSA-N	-1	1	411.483	3.421	50	30		HGEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1ccc(F)cc1	ZINC000020309195	558354720	/nfs/dbraw/zinc/35/47/20/558354720.db2.gz	WWSHAYZVGFXWCD-GOSISDBHSA-N	-1	1	418.852	3.325	50	30		HGEAMM
CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000013123343	558517804	/nfs/dbraw/zinc/51/78/04/558517804.db2.gz	FYIVEXBQCOFYPR-FQEVSTJZSA-N	-1	1	408.454	3.196	50	30		HGEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)NC1=O	ZINC000016115390	558772482	/nfs/dbraw/zinc/77/24/82/558772482.db2.gz	RXZSHLMVJNPDBX-PPAWOMOGSA-N	-1	1	417.874	3.315	50	30		HGEAMM
CCOc1ccc(C=CC(=O)c2c(=O)[nH]c(=O)n(CCC3=CCCCC3)c2[O-])cc1	ZINC000016995807	558811326	/nfs/dbraw/zinc/81/13/26/558811326.db2.gz	FIPUINJEDOVUNX-JLHYYAGUSA-N	-1	1	410.470	3.428	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccnc2)c(OC)c1	ZINC000013693270	558856282	/nfs/dbraw/zinc/85/62/82/558856282.db2.gz	MWXPOKIKYBVGDU-KRWDZBQOSA-N	-1	1	423.450	3.338	50	30		HGEAMM
Cn1c(=O)[nH]c([O-])c(C=Nc2nc(-c3ccccc3)sc2-c2ccccc2)c1=O	ZINC000100856084	560760269	/nfs/dbraw/zinc/76/02/69/560760269.db2.gz	GHQKNNJQJYREPE-WSDLNYQXSA-N	-1	1	404.451	3.320	50	30		HGEAMM
Cc1cccc(C(=O)N(Cc2cccc(C#N)c2)c2nn3c([n-]2)nc(C)c(C)c3=O)c1	ZINC000101878236	560804210	/nfs/dbraw/zinc/80/42/10/560804210.db2.gz	SLLMCXMKJCIFTD-UHFFFAOYSA-N	-1	1	412.453	3.062	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000102491382	560812098	/nfs/dbraw/zinc/81/20/98/560812098.db2.gz	UIJDIUKXRNGSGY-HVESIFNPSA-N	-1	1	402.366	3.011	50	30		HGEAMM
CCOc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000102868400	560832703	/nfs/dbraw/zinc/83/27/03/560832703.db2.gz	WVUJSSYSGOAFAL-GHNGSUTGSA-N	-1	1	410.382	3.307	50	30		HGEAMM
COc1ccc(OC)c(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\[O-])c1	ZINC000020111848	568588738	/nfs/dbraw/zinc/58/87/38/568588738.db2.gz	MEQCWZDHMLUXBP-HEQHKCQXSA-N	-1	1	414.458	3.239	50	30	biogenic	HGEAMM
COC(=O)CC(c1coc2ccccc2c1=O)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217886011	568918140	/nfs/dbraw/zinc/91/81/40/568918140.db2.gz	LQKUAJCZYAILSD-HNNXBMFYSA-N	-1	1	404.374	3.331	50	30	biogenic	HGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000102430043	569039635	/nfs/dbraw/zinc/03/96/35/569039635.db2.gz	CKSHKRADOIPSDX-WOOAAIBNSA-N	-1	1	417.421	3.120	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000102430043	569039636	/nfs/dbraw/zinc/03/96/36/569039636.db2.gz	CKSHKRADOIPSDX-WOOAAIBNSA-N	-1	1	417.421	3.120	50	30		HGEAMM
Cc1cc(/C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)c(C)n1-c1ccc(Cl)cc1	ZINC000006545745	569064821	/nfs/dbraw/zinc/06/48/21/569064821.db2.gz	YEWGBFUXFOUMRY-FULVDIRDSA-N	-1	1	404.879	3.144	50	30		HGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000008738082	571110360	/nfs/dbraw/zinc/11/03/60/571110360.db2.gz	SGVZWLNOKIVUQJ-KRWDZBQOSA-N	-1	1	408.366	3.146	50	30		HGEAMM
C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2OCC(C)(C)C1=O	ZINC000009166905	571232929	/nfs/dbraw/zinc/23/29/29/571232929.db2.gz	DCCITBYXAVEWOO-UHFFFAOYSA-N	-1	1	416.499	3.434	50	30		HGEAMM
CCOc1ccc(-n2c([O-])c(C(=O)C=Cc3ccc(Cl)cc3)c(=O)[nH]c2=O)cc1	ZINC000009360286	571251488	/nfs/dbraw/zinc/25/14/88/571251488.db2.gz	BUOYLQMIFYYKCP-LFYBBSHMSA-N	-1	1	412.829	3.180	50	30		HGEAMM
N#CCCN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1	ZINC000020736163	526460805	/nfs/dbraw/zinc/46/08/05/526460805.db2.gz	HOUYQPCOVBQUMD-QHCPKHFHSA-N	-1	1	418.497	3.404	50	30		HGEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008837105	557811485	/nfs/dbraw/zinc/81/14/85/557811485.db2.gz	RGYQADHAQHWTDU-LJQANCHMSA-N	-1	1	424.409	3.346	50	30		HGEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009233063	557830979	/nfs/dbraw/zinc/83/09/79/557830979.db2.gz	QBPDMSZDTNRYNU-ZDUSSCGKSA-N	-1	1	414.424	3.291	50	30		HGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102698930	560820171	/nfs/dbraw/zinc/82/01/71/560820171.db2.gz	UCFPFEYWCISDKA-GHNGSUTGSA-N	-1	1	422.393	3.297	50	30		HGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102698937	560820201	/nfs/dbraw/zinc/82/02/01/560820201.db2.gz	UCFPFEYWCISDKA-SELCWUDQSA-N	-1	1	422.393	3.297	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F	ZINC000102734957	560822676	/nfs/dbraw/zinc/82/26/76/560822676.db2.gz	XMAYSTNSZQEELO-UYTDBDHRSA-N	-1	1	411.414	3.312	50	30		HGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102717728	560823374	/nfs/dbraw/zinc/82/33/74/560823374.db2.gz	OEGTYJXQBZEYCM-WOOAAIBNSA-N	-1	1	418.405	3.396	50	30		HGEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102804089	560826808	/nfs/dbraw/zinc/82/68/08/560826808.db2.gz	BOTBAQIKONVZRY-SELCWUDQSA-N	-1	1	410.382	3.220	50	30		HGEAMM
COc1cc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)ccc1O	ZINC000102895795	560833362	/nfs/dbraw/zinc/83/33/62/560833362.db2.gz	FBCNINPIXZBCLE-LFVOPCPISA-N	-1	1	406.394	3.324	50	30		HGEAMM
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000102895795	560833364	/nfs/dbraw/zinc/83/33/64/560833364.db2.gz	FBCNINPIXZBCLE-LFVOPCPISA-N	-1	1	406.394	3.324	50	30		HGEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1	ZINC000065115308	569179382	/nfs/dbraw/zinc/17/93/82/569179382.db2.gz	LQBAFHXRKGZXTH-UHFFFAOYSA-N	-1	1	410.455	3.126	50	30		HGEAMM
CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)n[n-]1	ZINC000328594504	569415828	/nfs/dbraw/zinc/41/58/28/569415828.db2.gz	PDBUDXDCHUQRRX-OAHLLOKOSA-N	-1	1	403.483	3.373	50	30		HGEAMM
CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)[n-]1	ZINC000328594504	569415829	/nfs/dbraw/zinc/41/58/29/569415829.db2.gz	PDBUDXDCHUQRRX-OAHLLOKOSA-N	-1	1	403.483	3.373	50	30		HGEAMM
CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)n1	ZINC000328594504	569415830	/nfs/dbraw/zinc/41/58/30/569415830.db2.gz	PDBUDXDCHUQRRX-OAHLLOKOSA-N	-1	1	403.483	3.373	50	30		HGEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1cccc(F)c1	ZINC000020309188	558354861	/nfs/dbraw/zinc/35/48/61/558354861.db2.gz	GQCJEEDRFWKYBC-SFHVURJKSA-N	-1	1	418.852	3.325	50	30		HGEAMM
CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1	ZINC000016749714	558804417	/nfs/dbraw/zinc/80/44/17/558804417.db2.gz	YFCAYQWAJBYKTI-KRWDZBQOSA-N	-1	1	422.466	3.423	50	30		HGEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccnc1	ZINC000013722957	558859205	/nfs/dbraw/zinc/85/92/05/558859205.db2.gz	NMAYOTPARHGQGB-IBGZPJMESA-N	-1	1	405.385	3.407	50	30		HGEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000018126894	560779211	/nfs/dbraw/zinc/77/92/11/560779211.db2.gz	DVHOMZQYMNPOBQ-GOSISDBHSA-N	-1	1	410.382	3.382	50	30		HGEAMM
Cc1cc(Br)ccc1N=Cc1c([O-])n(-c2ccc(F)cc2)c(=O)[nH]c1=O	ZINC000101601782	560797394	/nfs/dbraw/zinc/79/73/94/560797394.db2.gz	XLFCXUCCNQBQRW-ZVBGSRNCSA-N	-1	1	418.222	3.192	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000102925809	560834346	/nfs/dbraw/zinc/83/43/46/560834346.db2.gz	YTTIVEVKWFPWRZ-GROYHEBESA-N	-1	1	420.356	3.150	50	30		HGEAMM
CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000058003202	568874092	/nfs/dbraw/zinc/87/40/92/568874092.db2.gz	XORKBPCYSYKJQS-UHFFFAOYSA-N	-1	1	405.479	3.495	50	30		HGEAMM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c(CN2CCOCC2)c1	ZINC000225478443	569399421	/nfs/dbraw/zinc/39/94/21/569399421.db2.gz	JSLCNBFSLQWAFB-UHFFFAOYSA-N	-1	1	405.907	3.153	50	30		HGEAMM
CCOc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000009242600	571240968	/nfs/dbraw/zinc/24/09/68/571240968.db2.gz	BANTZRXWPPODQG-SFHVURJKSA-N	-1	1	410.382	3.463	50	30		HGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)o1	ZINC000001154108	557212876	/nfs/dbraw/zinc/21/28/76/557212876.db2.gz	HGSIMVBZEGOQMS-INIZCTEOSA-N	-1	1	406.354	3.069	50	30		HGEAMM
Cc1ccc2c(c1Br)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N2	ZINC000008935048	557815719	/nfs/dbraw/zinc/81/57/19/557815719.db2.gz	KESYTIQJNYGSGW-UHFFFAOYSA-N	-1	1	420.179	3.342	50	30		HGEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ncccn2)cc1OC	ZINC000004327988	558260133	/nfs/dbraw/zinc/26/01/33/558260133.db2.gz	RKKTVLFNYVBHQK-IBGZPJMESA-N	-1	1	417.421	3.277	50	30		HGEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccnc1	ZINC000013722954	558859188	/nfs/dbraw/zinc/85/91/88/558859188.db2.gz	NMAYOTPARHGQGB-LJQANCHMSA-N	-1	1	405.385	3.407	50	30		HGEAMM
C=CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)C(=O)[N-]C1=S	ZINC000004723871	558922700	/nfs/dbraw/zinc/92/27/00/558922700.db2.gz	BCBVDFOKOLQXBE-ATVHPVEESA-N	-1	1	408.479	3.087	50	30		HGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000009233639	559070561	/nfs/dbraw/zinc/07/05/61/559070561.db2.gz	FIKNMRWGUMMGNI-CQSZACIVSA-N	-1	1	412.383	3.131	50	30		HGEAMM
CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000005445177	560588046	/nfs/dbraw/zinc/58/80/46/560588046.db2.gz	QQTFBAXCAVVIPI-SELCWUDQSA-N	-1	1	402.853	3.462	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1	ZINC000102720825	560821404	/nfs/dbraw/zinc/82/14/04/560821404.db2.gz	FXUGQGUQKAJTBL-HVESIFNPSA-N	-1	1	407.813	3.462	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2	ZINC000046074491	568426819	/nfs/dbraw/zinc/42/68/19/568426819.db2.gz	LEYUSVKXIJPYRB-NSHDSACASA-N	-1	1	404.879	3.074	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2	ZINC000046074448	568426835	/nfs/dbraw/zinc/42/68/35/568426835.db2.gz	WDZUVVYGSXZCGY-NSHDSACASA-N	-1	1	424.404	3.131	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)c(Br)c1)CC(=O)N2	ZINC000086057996	568753976	/nfs/dbraw/zinc/75/39/76/568753976.db2.gz	JTPRSPQCMIXPDX-SECBINFHSA-N	-1	1	410.268	3.424	50	30		HGEAMM
N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1	ZINC000328590301	569414823	/nfs/dbraw/zinc/41/48/23/569414823.db2.gz	KNWXUPNQIDTKML-UHFFFAOYSA-N	-1	1	404.426	3.246	50	30		HGEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009763856	571284785	/nfs/dbraw/zinc/28/47/85/571284785.db2.gz	HVJOXZCDPKOBRJ-ZDUSSCGKSA-N	-1	1	414.424	3.291	50	30		HGEAMM
C=CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1	ZINC000049421252	518928900	/nfs/dbraw/zinc/92/89/00/518928900.db2.gz	XNYQOOOFDSDRRA-INIZCTEOSA-N	-1	1	408.527	3.479	50	30		HGEAMM
CCOC(=O)[C@H]1CCCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cccnc2)O3)C1	ZINC000041586344	521297799	/nfs/dbraw/zinc/29/77/99/521297799.db2.gz	GWFBZZXKEFNGSF-BCUAHEQISA-N	-1	1	422.481	3.487	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccnc2)c(OC)c1	ZINC000102745554	523377291	/nfs/dbraw/zinc/37/72/91/523377291.db2.gz	NGWYNTXXHMBFQD-GROYHEBESA-N	-1	1	423.450	3.182	50	30		HGEAMM
O=C([O-])CC1S/C(=N/N=C/c2cn(Cc3ccccc3)c3ccccc23)NC1=O	ZINC000006457330	557703274	/nfs/dbraw/zinc/70/32/74/557703274.db2.gz	NUXWBQQZYWVHHQ-NMONLQQWSA-N	-1	1	406.467	3.086	50	30		HGEAMM
CCOc1cc(C=Nn2cn[n-]c2=S)ccc1OCc1ccc(C(=O)OC)o1	ZINC000002793119	557764539	/nfs/dbraw/zinc/76/45/39/557764539.db2.gz	RHPMHYBAFHUWEM-AWQFTUOYSA-N	-1	1	402.432	3.180	50	30		HGEAMM
Cc1nn(C)cc1C=Nn1cc([O-])c(-c2nc(-c3ccc(Cl)cc3)cs2)c1N	ZINC000013692369	558573810	/nfs/dbraw/zinc/57/38/10/558573810.db2.gz	BBQRRPNAGUIOGY-QPJQQBGISA-N	-1	1	412.906	3.052	50	30		HGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccccc2OCc2ccccc2Cl)NC1=O	ZINC000015857451	558757203	/nfs/dbraw/zinc/75/72/03/558757203.db2.gz	JFFFFETYUCHFHU-PPAWOMOGSA-N	-1	1	417.874	3.315	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccnc2)c(OC)c1	ZINC000013693269	558856300	/nfs/dbraw/zinc/85/63/00/558856300.db2.gz	MWXPOKIKYBVGDU-QGZVFWFLSA-N	-1	1	423.450	3.338	50	30		HGEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)ccc1OC)C1=C(CCCC1=O)N2	ZINC000018088750	560774373	/nfs/dbraw/zinc/77/43/73/560774373.db2.gz	JOTZVODPLKBOMT-MRXNPFEDSA-N	-1	1	413.499	3.464	50	30		HGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102805580	560827077	/nfs/dbraw/zinc/82/70/77/560827077.db2.gz	JNVGRPQNDOXPLP-HVESIFNPSA-N	-1	1	424.434	3.457	50	30		HGEAMM
Cn1c([O-])c(/C(=N/c2ccccc2)SCc2cccc(Cl)c2)c(=O)n(C)c1=O	ZINC000102881375	560833820	/nfs/dbraw/zinc/83/38/20/560833820.db2.gz	ZACVYCZTMBIJGT-XLNRJJMWSA-N	-1	1	415.902	3.455	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCCC)c(OC)c1)CC(=O)N2	ZINC000086057941	568753992	/nfs/dbraw/zinc/75/39/92/568753992.db2.gz	YBCLVYIQXKWZAI-CYBMUJFWSA-N	-1	1	401.488	3.320	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCCC)c(OC)c1)CC(=O)N2	ZINC000086057936	568754021	/nfs/dbraw/zinc/75/40/21/568754021.db2.gz	YBCLVYIQXKWZAI-ZDUSSCGKSA-N	-1	1	401.488	3.320	50	30		HGEAMM
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000019137976	568852578	/nfs/dbraw/zinc/85/25/78/568852578.db2.gz	WBIDKMZMCOQEQV-KRWDZBQOSA-N	-1	1	423.450	3.344	50	30		HGEAMM
COc1ccccc1NC(=O)Cc1sc(NN=C2CCCc3ccccc32)nc1[O-]	ZINC000013132735	569211489	/nfs/dbraw/zinc/21/14/89/569211489.db2.gz	AGVWNLBHZFOXNP-LJQANCHMSA-N	-1	1	422.510	3.352	50	30		HGEAMM
CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)n[n-]1	ZINC000328594503	569415820	/nfs/dbraw/zinc/41/58/20/569415820.db2.gz	PDBUDXDCHUQRRX-HNNXBMFYSA-N	-1	1	403.483	3.373	50	30		HGEAMM
CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)[n-]1	ZINC000328594503	569415821	/nfs/dbraw/zinc/41/58/21/569415821.db2.gz	PDBUDXDCHUQRRX-HNNXBMFYSA-N	-1	1	403.483	3.373	50	30		HGEAMM
CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)n1	ZINC000328594503	569415822	/nfs/dbraw/zinc/41/58/22/569415822.db2.gz	PDBUDXDCHUQRRX-HNNXBMFYSA-N	-1	1	403.483	3.373	50	30		HGEAMM
CCOc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCc1ccc(C(=O)OC)o1	ZINC000008477986	571053603	/nfs/dbraw/zinc/05/36/03/571053603.db2.gz	HBLROKZDDFCFMD-KEBDBYFISA-N	-1	1	416.459	3.489	50	30		HGEAMM
COC(=O)c1ccc(COc2ccc(C=Nn3c(C)n[n-]c3=S)cc2OC)o1	ZINC000008511547	571067386	/nfs/dbraw/zinc/06/73/86/571067386.db2.gz	HNBBZJBEKGWDPN-DJKKODMXSA-N	-1	1	402.432	3.099	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)c3cccc(NC(C)=O)c3)n2)n[n-]c1=S	ZINC000026091892	519193143	/nfs/dbraw/zinc/19/31/43/519193143.db2.gz	YFHACOVWVUSXCW-UHFFFAOYSA-N	-1	1	414.516	3.385	50	30		HGEAMM
COC(=O)C[C@@H](c1cccnc1)c1c2c(ccc1[O-])C(=O)/C(=C/c1cccn1C)O2	ZINC000253412977	523280864	/nfs/dbraw/zinc/28/08/64/523280864.db2.gz	SQGQEYVPHWKSDS-BEWREHSGSA-N	-1	1	404.422	3.437	50	30	biogenic	HGEAMM
Cn1c([O-])c(/C(=N/c2ccccc2)SCc2ccc(Cl)cc2)c(=O)n(C)c1=O	ZINC000102648640	560818974	/nfs/dbraw/zinc/81/89/74/560818974.db2.gz	OIMBFIVBZVVJQE-XLNRJJMWSA-N	-1	1	415.902	3.455	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccnc2)cc1F	ZINC000102734960	560822695	/nfs/dbraw/zinc/82/26/95/560822695.db2.gz	XMAYSTNSZQEELO-IBOXJLQUSA-N	-1	1	411.414	3.312	50	30		HGEAMM
CCCCCCCCN1C(=O)C(=C(C)NCCCOCC2CC2)C(=O)[N-]C1=S	ZINC000104945685	560857297	/nfs/dbraw/zinc/85/72/97/560857297.db2.gz	VFUZBMAZIZVOMX-FBMGVBCBSA-N	-1	1	409.596	3.271	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2	ZINC000046074488	568426748	/nfs/dbraw/zinc/42/67/48/568426748.db2.gz	LEYUSVKXIJPYRB-LLVKDONJSA-N	-1	1	404.879	3.074	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCC)c(OCC)c1)CC(=O)N2	ZINC000086057993	568754054	/nfs/dbraw/zinc/75/40/54/568754054.db2.gz	QAHUFPSILRWNSM-CYBMUJFWSA-N	-1	1	401.488	3.320	50	30		HGEAMM
C=CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)[N-]C1=S	ZINC000004711364	568964014	/nfs/dbraw/zinc/96/40/14/568964014.db2.gz	FWOOCEOIUAWPFR-RVDMUPIBSA-N	-1	1	405.401	3.309	50	30		HGEAMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)C(=O)[N-]C1=S	ZINC000004723867	568964269	/nfs/dbraw/zinc/96/42/69/568964269.db2.gz	WQAHCELDYKHNPN-MDWZMJQESA-N	-1	1	408.907	3.339	50	30		HGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(I)cc2)cc1	ZINC000001218351	569363779	/nfs/dbraw/zinc/36/37/79/569363779.db2.gz	ZQFVYUWMEAQYHW-UHFFFAOYSA-N	-1	1	416.240	3.314	50	30		HGEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(I)cc2)cc1	ZINC000001218351	569363780	/nfs/dbraw/zinc/36/37/80/569363780.db2.gz	ZQFVYUWMEAQYHW-UHFFFAOYSA-N	-1	1	416.240	3.314	50	30		HGEAMM
COc1cccc([C@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)c1	ZINC000022607005	524188530	/nfs/dbraw/zinc/18/85/30/524188530.db2.gz	QBWICKSWJBCROQ-GOSISDBHSA-N	-1	1	406.486	3.333	50	30		HGEAMM
CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000004333567	558263561	/nfs/dbraw/zinc/26/35/61/558263561.db2.gz	UGPJUWSGMBRQBQ-NHFXJNLRSA-N	-1	1	408.454	3.039	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(=O)OC)cc1)C1=C(CCCC1=O)N2	ZINC000016361159	558787753	/nfs/dbraw/zinc/78/77/53/558787753.db2.gz	FYQJDMVHVWRYAA-INIZCTEOSA-N	-1	1	423.494	3.399	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccnc2)cc1F	ZINC000013692235	558855936	/nfs/dbraw/zinc/85/59/36/558855936.db2.gz	QWNHNWUTMXQLFS-MRXNPFEDSA-N	-1	1	411.414	3.469	50	30		HGEAMM
COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCC(=O)[O-]	ZINC000005445800	560588199	/nfs/dbraw/zinc/58/81/99/560588199.db2.gz	ZFSGCLNBYDDIPV-GHNGSUTGSA-N	-1	1	415.829	3.245	50	30		HGEAMM
Cc1ccc(N=Cc2c([O-])n(-c3ccc(F)cc3)c(=O)[nH]c2=O)c(Br)c1	ZINC000101574236	560797382	/nfs/dbraw/zinc/79/73/82/560797382.db2.gz	FGOATGUNWJWXAB-ZVBGSRNCSA-N	-1	1	418.222	3.192	50	30		HGEAMM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCC(=O)[O-]	ZINC000102534064	560813668	/nfs/dbraw/zinc/81/36/68/560813668.db2.gz	ZFSGCLNBYDDIPV-SELCWUDQSA-N	-1	1	415.829	3.245	50	30		HGEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102800179	560828384	/nfs/dbraw/zinc/82/83/84/560828384.db2.gz	ROKFBANSEJTBBA-MNWMYKRDSA-N	-1	1	414.424	3.134	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2	ZINC000046074475	568426803	/nfs/dbraw/zinc/42/68/03/568426803.db2.gz	XAIHNMGAJNZZGF-SNVBAGLBSA-N	-1	1	404.879	3.074	50	30		HGEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1ccncc1	ZINC000004292294	568963471	/nfs/dbraw/zinc/96/34/71/568963471.db2.gz	GAJUTIVDBCBMGA-MRXNPFEDSA-N	-1	1	412.515	3.474	50	30		HGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000008739961	571110162	/nfs/dbraw/zinc/11/01/62/571110162.db2.gz	SGVZWLNOKIVUQJ-QGZVFWFLSA-N	-1	1	408.366	3.146	50	30		HGEAMM
C=CCc1ccccc1OC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21	ZINC000021885456	519142960	/nfs/dbraw/zinc/14/29/60/519142960.db2.gz	SEDOEJYTEFGIMI-UHFFFAOYSA-N	-1	1	408.439	3.104	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)Cc3ccc(OC)cc3)n2)n[n-]c1=S	ZINC000024778319	519194516	/nfs/dbraw/zinc/19/45/16/519194516.db2.gz	DDRUNQXVTVBRNC-UHFFFAOYSA-N	-1	1	401.517	3.364	50	30		HGEAMM
CC([O-])=C1C(=O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001187155	557234793	/nfs/dbraw/zinc/23/47/93/557234793.db2.gz	YMZMZTZNXWPCQT-OAHLLOKOSA-N	-1	1	418.203	3.241	50	30		HGEAMM
COc1ccc(C=Nn2cn[n-]c2=S)cc1Cn1nc(C)c(Br)c1C	ZINC000002793188	557764889	/nfs/dbraw/zinc/76/48/89/557764889.db2.gz	JFZPNPSKXICEED-FBCYGCLPSA-N	-1	1	421.324	3.456	50	30		HGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008817956	557809893	/nfs/dbraw/zinc/80/98/93/557809893.db2.gz	SMHUKIXONSLMGZ-SFHVURJKSA-N	-1	1	416.393	3.476	50	30		HGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1	ZINC000019848744	558295092	/nfs/dbraw/zinc/29/50/92/558295092.db2.gz	ANZQZOYNVBESFK-SFHVURJKSA-N	-1	1	401.365	3.408	50	30		HGEAMM
C=CCn1c(SCC(=O)[N-]C(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1	ZINC000008752695	560638360	/nfs/dbraw/zinc/63/83/60/560638360.db2.gz	LBUGFGYLZLHPEI-UHFFFAOYSA-N	-1	1	413.890	3.228	50	30		HGEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000102496344	560812405	/nfs/dbraw/zinc/81/24/05/560812405.db2.gz	KGQHIWYQRKGKIY-JBCNATCCSA-N	-1	1	422.481	3.348	50	30		HGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000102723790	560821493	/nfs/dbraw/zinc/82/14/93/560821493.db2.gz	LPQPSFXYPNQYAN-YDJIHCHBSA-N	-1	1	409.438	3.290	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2	ZINC000046074456	568426813	/nfs/dbraw/zinc/42/68/13/568426813.db2.gz	WOKHVYKLVDAESC-LLVKDONJSA-N	-1	1	424.404	3.131	50	30		HGEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])c1	ZINC000019898762	568585420	/nfs/dbraw/zinc/58/54/20/568585420.db2.gz	FCDOSIAEIJGSJX-HXUWFJFHSA-N	-1	1	409.438	3.447	50	30		HGEAMM
COc1ccc(-c2nc(N3CCN(Cc4ccccc4)CC3)[n-]c(=O)c2C#N)cc1	ZINC000095349702	568600674	/nfs/dbraw/zinc/60/06/74/568600674.db2.gz	JBNWGQGVPGGCNL-UHFFFAOYSA-N	-1	1	401.470	3.052	50	30		HGEAMM
N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1	ZINC000031402847	568925572	/nfs/dbraw/zinc/92/55/72/568925572.db2.gz	IIUBZNBPJSOYNW-UHFFFAOYSA-N	-1	1	404.239	3.128	50	30		HGEAMM
CC(=NNc1nnc(SCC(=O)c2ccc3c(c2)OCO3)[n-]1)c1ccc(F)cc1	ZINC000253476407	569317771	/nfs/dbraw/zinc/31/77/71/569317771.db2.gz	JKBUHEFQZHBNRE-UHFFFAOYSA-N	-1	1	413.434	3.484	50	30		HGEAMM
O=C([N-]NC(=O)c1ccccc1F)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1	ZINC000328590012	569414869	/nfs/dbraw/zinc/41/48/69/569414869.db2.gz	VOVZRLRVAPJQSL-UHFFFAOYSA-N	-1	1	402.367	3.228	50	30		HGEAMM
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1CCCC(=O)[O-]	ZINC000019790189	569429823	/nfs/dbraw/zinc/42/98/23/569429823.db2.gz	OJPALTAREOUDIJ-FQEVSTJZSA-N	-1	1	409.438	3.447	50	30		HGEAMM
C=CCOc1c(Br)cc(/C=C2\NC(=S)[N-]C2=O)cc1Br	ZINC000027532031	519001098	/nfs/dbraw/zinc/00/10/98/519001098.db2.gz	KKNSZROUTGBZOR-POHAHGRESA-N	-1	1	418.110	3.122	50	30		HGEAMM
COCc1cc(C)nc(N=NCc2cc(Br)c([O-])c([N+](=O)[O-])c2)c1C#N	ZINC000032115778	522917551	/nfs/dbraw/zinc/91/75/51/522917551.db2.gz	WCVPXDVLRYYWDQ-GXHLCREISA-N	-1	1	420.223	3.230	50	30		HGEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008837104	557811437	/nfs/dbraw/zinc/81/14/37/557811437.db2.gz	RGYQADHAQHWTDU-IBGZPJMESA-N	-1	1	424.409	3.346	50	30		HGEAMM
Cc1ccc(-c2n[nH]c(=S)n2N=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])cc1	ZINC000015016566	558702232	/nfs/dbraw/zinc/70/22/32/558702232.db2.gz	JTTZIEZGLZVQHS-CAOOACKPSA-N	-1	1	400.376	3.320	50	30		HGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000017138501	558823788	/nfs/dbraw/zinc/82/37/88/558823788.db2.gz	NAXXROMCXCZDOO-GOSISDBHSA-N	-1	1	410.382	3.038	50	30		HGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000017162313	558824568	/nfs/dbraw/zinc/82/45/68/558824568.db2.gz	GGINYBNUOGQGHJ-FQEVSTJZSA-N	-1	1	409.438	3.447	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	ZINC000102857860	560831113	/nfs/dbraw/zinc/83/11/13/560831113.db2.gz	ONXBMEUONNWTBW-HVESIFNPSA-N	-1	1	420.356	3.150	50	30		HGEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1ccccc1F	ZINC000020309155	568598178	/nfs/dbraw/zinc/59/81/78/568598178.db2.gz	DURKYYMSUNESTG-SFHVURJKSA-N	-1	1	418.852	3.325	50	30		HGEAMM
CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1	ZINC000005799892	568735341	/nfs/dbraw/zinc/73/53/41/568735341.db2.gz	DZVSJHHTXBIVMQ-GHNGSUTGSA-N	-1	1	402.853	3.462	50	30		HGEAMM
COc1cc(-c2n[nH]c(=S)n2N=Cc2ccccc2C(=O)[O-])cc(OC)c1OC	ZINC000005906694	568829129	/nfs/dbraw/zinc/82/91/29/568829129.db2.gz	VNQIUNGHMMAAEG-KEBDBYFISA-N	-1	1	414.443	3.214	50	30		HGEAMM
C#CCN1C(=O)S/C(=C\c2cc(Cl)cc(I)c2[O-])C1=O	ZINC000012468366	568838266	/nfs/dbraw/zinc/83/82/66/568838266.db2.gz	QNROXIXOILQMGQ-YHYXMXQVSA-N	-1	1	419.627	3.320	50	30		HGEAMM
C=CCN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C(=O)[N-]C1=S	ZINC000015013120	569004373	/nfs/dbraw/zinc/00/43/73/569004373.db2.gz	BCBVDFOKOLQXBE-SFQUDFHCSA-N	-1	1	408.479	3.087	50	30		HGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(O)c2)cc1	ZINC000006412883	569046824	/nfs/dbraw/zinc/04/68/24/569046824.db2.gz	HWESSESZYRLTLI-LJQANCHMSA-N	-1	1	406.394	3.480	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(O)c2)cc1	ZINC000006412883	569046825	/nfs/dbraw/zinc/04/68/25/569046825.db2.gz	HWESSESZYRLTLI-LJQANCHMSA-N	-1	1	406.394	3.480	50	30		HGEAMM
C=CCN1C(=O)C(=Cc2cc(Br)c(O)c(OCC)c2)C(=O)[N-]C1=S	ZINC000033926133	518823451	/nfs/dbraw/zinc/82/34/51/518823451.db2.gz	JVCCBYLZIOGPFE-UXBLZVDNSA-N	-1	1	411.277	3.206	50	30		HGEAMM
C=CCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1	ZINC000049421053	518884668	/nfs/dbraw/zinc/88/46/68/518884668.db2.gz	HRFAVPQBUYQJRA-UHFFFAOYSA-N	-1	1	412.490	3.309	50	30		HGEAMM
C=CCN(CC=C)C(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000004435378	558558389	/nfs/dbraw/zinc/55/83/89/558558389.db2.gz	HYJMDWDPLLOXCV-GOSISDBHSA-N	-1	1	415.833	3.035	50	30		HGEAMM
CCCOc1ccc([C@H]2C3=C(Nc4nc(N)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000005343750	560566703	/nfs/dbraw/zinc/56/67/03/560566703.db2.gz	MOOMDGWLZCBIKE-INIZCTEOSA-N	-1	1	400.438	3.306	50	30		HGEAMM
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217822476	568914540	/nfs/dbraw/zinc/91/45/40/568914540.db2.gz	ABDVJRZXPHWFCE-OAHLLOKOSA-N	-1	1	424.405	3.004	50	30	biogenic	HGEAMM
COc1cc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)ccc1O	ZINC000006160819	569015932	/nfs/dbraw/zinc/01/59/32/569015932.db2.gz	XMBBALBTPFAKRZ-IBGZPJMESA-N	-1	1	406.394	3.480	50	30		HGEAMM
COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000006160819	569015933	/nfs/dbraw/zinc/01/59/33/569015933.db2.gz	XMBBALBTPFAKRZ-IBGZPJMESA-N	-1	1	406.394	3.480	50	30		HGEAMM
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000008739381	571110186	/nfs/dbraw/zinc/11/01/86/571110186.db2.gz	NJHYMKYXGZMOLA-QGZVFWFLSA-N	-1	1	410.382	3.376	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)n[n-]c1=S	ZINC000024760036	519194219	/nfs/dbraw/zinc/19/42/19/519194219.db2.gz	HWMRUVMMSFOKQE-UHFFFAOYSA-N	-1	1	402.461	3.334	50	30		HGEAMM
CCOc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc(Br)c1[O-]	ZINC000001168840	557222805	/nfs/dbraw/zinc/22/28/05/557222805.db2.gz	RBDRIVJJQKBYEB-DJKKODMXSA-N	-1	1	419.283	3.138	50	30		HGEAMM
CC(C)(O)c1coc(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)c1	ZINC000034025113	558772721	/nfs/dbraw/zinc/77/27/21/558772721.db2.gz	HUUSXLKCTQDPGL-UHFFFAOYSA-N	-1	1	404.488	3.199	50	30	in-vitro	HGEAMM
CC(C)(O)c1coc(S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)c1	ZINC000034025113	558772724	/nfs/dbraw/zinc/77/27/24/558772724.db2.gz	HUUSXLKCTQDPGL-UHFFFAOYSA-N	-1	1	404.488	3.199	50	30	in-vitro	HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F	ZINC000013692236	558855914	/nfs/dbraw/zinc/85/59/14/558855914.db2.gz	QWNHNWUTMXQLFS-INIZCTEOSA-N	-1	1	411.414	3.469	50	30		HGEAMM
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000102511600	560815150	/nfs/dbraw/zinc/81/51/50/560815150.db2.gz	FJLPHTHWSPZEAK-GHNGSUTGSA-N	-1	1	410.382	3.225	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccccc2F)cc1	ZINC000102723176	560821501	/nfs/dbraw/zinc/82/15/01/560821501.db2.gz	ZWQFEMCEHIBESS-GHNGSUTGSA-N	-1	1	405.385	3.251	50	30		HGEAMM
C=CCn1c(SCC(=O)c2ccc([O-])cc2O)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000003555080	568915167	/nfs/dbraw/zinc/91/51/67/568915167.db2.gz	CGUVUDDBXVFOMO-UHFFFAOYSA-N	-1	1	412.427	3.426	50	30		HGEAMM
COC(=O)CC(c1cc2ccccc2[nH]c1=O)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217923388	568919973	/nfs/dbraw/zinc/91/99/73/568919973.db2.gz	DDNGITNEZQVRHB-HNNXBMFYSA-N	-1	1	403.390	3.066	50	30	biogenic	HGEAMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C(=O)[N-]C1=S	ZINC000001154179	569006338	/nfs/dbraw/zinc/00/63/38/569006338.db2.gz	GXEWLAOQIABXDN-ZWSXMNCCSA-N	-1	1	408.907	3.339	50	30		HGEAMM
C=CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4C)c3[n-]2)C1	ZINC000049421416	518918867	/nfs/dbraw/zinc/91/88/67/518918867.db2.gz	HHZJINYGMHRLPF-OAHLLOKOSA-N	-1	1	408.527	3.479	50	30		HGEAMM
COc1cccc([C@@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)c1	ZINC000022607007	524135918	/nfs/dbraw/zinc/13/59/18/524135918.db2.gz	QBWICKSWJBCROQ-SFHVURJKSA-N	-1	1	406.486	3.333	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000032609559	526271813	/nfs/dbraw/zinc/27/18/13/526271813.db2.gz	GEGDQLBCFSWYMU-OAHLLOKOSA-N	-1	1	408.395	3.229	50	30		HGEAMM
N#CCCN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1	ZINC000020736167	526460335	/nfs/dbraw/zinc/46/03/35/526460335.db2.gz	HOUYQPCOVBQUMD-HSZRJFAPSA-N	-1	1	418.497	3.404	50	30		HGEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000006002132	557683913	/nfs/dbraw/zinc/68/39/13/557683913.db2.gz	DRCNIRNCXABRHY-INIZCTEOSA-N	-1	1	413.499	3.464	50	30		HGEAMM
COc1ccc([C@H]2Nc3ccccc3C(=O)N2[O-])cc1Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000000650551	558829807	/nfs/dbraw/zinc/82/98/07/558829807.db2.gz	GFYGVIBNZGKTOU-FQEVSTJZSA-N	-1	1	423.429	3.421	50	30		HGEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102433411	560811126	/nfs/dbraw/zinc/81/11/26/560811126.db2.gz	AAKIVSYPQBEFNF-SELCWUDQSA-N	-1	1	405.385	3.251	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102433411	560811129	/nfs/dbraw/zinc/81/11/29/560811129.db2.gz	AAKIVSYPQBEFNF-SELCWUDQSA-N	-1	1	405.385	3.251	50	30		HGEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102433405	560811162	/nfs/dbraw/zinc/81/11/62/560811162.db2.gz	AAKIVSYPQBEFNF-GHNGSUTGSA-N	-1	1	405.385	3.251	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102433405	560811164	/nfs/dbraw/zinc/81/11/64/560811164.db2.gz	AAKIVSYPQBEFNF-GHNGSUTGSA-N	-1	1	405.385	3.251	50	30		HGEAMM
COc1cc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nccs2)ccc1O	ZINC000102487476	560811939	/nfs/dbraw/zinc/81/19/39/560811939.db2.gz	BEEDLDNFHQNDQD-GROYHEBESA-N	-1	1	408.435	3.484	50	30		HGEAMM
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nccs2)ccc1O	ZINC000102487476	560811940	/nfs/dbraw/zinc/81/19/40/560811940.db2.gz	BEEDLDNFHQNDQD-GROYHEBESA-N	-1	1	408.435	3.484	50	30		HGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000102528729	560816515	/nfs/dbraw/zinc/81/65/15/560816515.db2.gz	VBGSMGRSHDUPEQ-UYTDBDHRSA-N	-1	1	422.422	3.381	50	30		HGEAMM
COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000102804567	560826973	/nfs/dbraw/zinc/82/69/73/560826973.db2.gz	XZRASKOXVGHHDN-GHNGSUTGSA-N	-1	1	410.382	3.220	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2	ZINC000046074478	568426862	/nfs/dbraw/zinc/42/68/62/568426862.db2.gz	XAIHNMGAJNZZGF-JTQLQIEISA-N	-1	1	404.879	3.074	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)c(Br)c1)CC(=O)N2	ZINC000086057998	568753954	/nfs/dbraw/zinc/75/39/54/568753954.db2.gz	JTPRSPQCMIXPDX-VIFPVBQESA-N	-1	1	410.268	3.424	50	30		HGEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000019137983	568852572	/nfs/dbraw/zinc/85/25/72/568852572.db2.gz	WBIDKMZMCOQEQV-QGZVFWFLSA-N	-1	1	423.450	3.344	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(C)N2	ZINC000013362717	568999053	/nfs/dbraw/zinc/99/90/53/568999053.db2.gz	XTDZUUNSUKKTKK-MRXNPFEDSA-N	-1	1	413.499	3.451	50	30		HGEAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1	ZINC000013041665	525615365	/nfs/dbraw/zinc/61/53/65/525615365.db2.gz	QKELWMOKOTYHHN-UHFFFAOYSA-N	-1	1	421.544	3.047	50	30		HGEAMM
CC([O-])=C1C(=O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001187154	557234753	/nfs/dbraw/zinc/23/47/53/557234753.db2.gz	YMZMZTZNXWPCQT-HNNXBMFYSA-N	-1	1	418.203	3.241	50	30		HGEAMM
O=C([O-])C(CC(=O)c1ccc(Cl)cc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000013136827	558521250	/nfs/dbraw/zinc/52/12/50/558521250.db2.gz	QXLXMMFVSQRUMS-CPNJWEJPSA-N	-1	1	406.738	3.282	50	30		HGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(-c3ccc(Br)cc3)o2)NC1=O	ZINC000013940950	558604477	/nfs/dbraw/zinc/60/44/77/558604477.db2.gz	WOOHUIMYZJQQAT-NACCWKTGSA-N	-1	1	422.260	3.105	50	30		HGEAMM
COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)ccc1O	ZINC000100297623	559193204	/nfs/dbraw/zinc/19/32/04/559193204.db2.gz	NWHLOWYQLORDAA-NHFXJNLRSA-N	-1	1	402.406	3.422	50	30		HGEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)ccc1OC)C1=C(CCCC1=O)N2	ZINC000018126552	560779264	/nfs/dbraw/zinc/77/92/64/560779264.db2.gz	JOTZVODPLKBOMT-INIZCTEOSA-N	-1	1	413.499	3.464	50	30		HGEAMM
CCCCc1c(C)nc2[n-]c(N(Cc3ccc(C#N)cc3)C(=O)C(C)C)nn2c1=O	ZINC000101878700	560804234	/nfs/dbraw/zinc/80/42/34/560804234.db2.gz	GLGHNJKTKPFGRA-UHFFFAOYSA-N	-1	1	406.490	3.130	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1	ZINC000102720821	560821418	/nfs/dbraw/zinc/82/14/18/560821418.db2.gz	FXUGQGUQKAJTBL-GROYHEBESA-N	-1	1	407.813	3.462	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	ZINC000102857856	560831186	/nfs/dbraw/zinc/83/11/86/560831186.db2.gz	ONXBMEUONNWTBW-GROYHEBESA-N	-1	1	420.356	3.150	50	30		HGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000104205254	560849782	/nfs/dbraw/zinc/84/97/82/560849782.db2.gz	UUAQEXGIPBESGC-HVESIFNPSA-N	-1	1	407.451	3.481	50	30		HGEAMM
C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCCC)[n-]c(=O)c21	ZINC000086057893	568753940	/nfs/dbraw/zinc/75/39/40/568753940.db2.gz	HHEYRZMSITZOEI-ZDUSSCGKSA-N	-1	1	401.488	3.320	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCC)c(OCC)c1)CC(=O)N2	ZINC000086057990	568753989	/nfs/dbraw/zinc/75/39/89/568753989.db2.gz	QAHUFPSILRWNSM-ZDUSSCGKSA-N	-1	1	401.488	3.320	50	30		HGEAMM
C=CCn1c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1	ZINC000002624093	568788724	/nfs/dbraw/zinc/78/87/24/568788724.db2.gz	BXRWBWZHFBTDCL-UHFFFAOYSA-N	-1	1	423.454	3.088	50	30		HGEAMM
COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000001767206	569052187	/nfs/dbraw/zinc/05/21/87/569052187.db2.gz	HIRGXXPHWJUVDY-AWEZNQCLSA-N	-1	1	415.452	3.097	50	30		HGEAMM
C=CCN1C(=O)C(=CNCC[C@H](c2ccco2)c2ccc(C)cc2)C(=O)[N-]C1=S	ZINC000006908812	569178750	/nfs/dbraw/zinc/17/87/50/569178750.db2.gz	STCORNCEORRVPB-AATZCTEQSA-N	-1	1	409.511	3.013	50	30		HGEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000009185754	571234933	/nfs/dbraw/zinc/23/49/33/571234933.db2.gz	NHEYQZXOONZWFR-GOSISDBHSA-N	-1	1	410.382	3.376	50	30		HGEAMM
C=CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1	ZINC000049421253	518919557	/nfs/dbraw/zinc/91/95/57/518919557.db2.gz	XNYQOOOFDSDRRA-MRXNPFEDSA-N	-1	1	408.527	3.479	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(Br)ccc1OC)CC(=O)N2	ZINC000021784378	519080809	/nfs/dbraw/zinc/08/08/09/519080809.db2.gz	WGHDZKGMJISETF-NSHDSACASA-N	-1	1	422.304	3.293	50	30		HGEAMM
COc1cc(/C=N\[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1O	ZINC000032577579	522007175	/nfs/dbraw/zinc/00/71/75/522007175.db2.gz	NHJAZQLKWLOAPI-LSCVHKIXSA-N	-1	1	405.259	3.029	50	30		HGEAMM
COc1cc(-c2n[nH]c(=S)n2N=Cc2ccc(C(=O)[O-])cc2)cc(OC)c1OC	ZINC000005795166	557674942	/nfs/dbraw/zinc/67/49/42/557674942.db2.gz	QZYJXAHTVCTHQK-KEBDBYFISA-N	-1	1	414.443	3.214	50	30		HGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ncccn2)cc1OC	ZINC000004327986	558260104	/nfs/dbraw/zinc/26/01/04/558260104.db2.gz	RKKTVLFNYVBHQK-LJQANCHMSA-N	-1	1	417.421	3.277	50	30		HGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)NC1=O	ZINC000016115199	558772474	/nfs/dbraw/zinc/77/24/74/558772474.db2.gz	VVANUFHZPOBCDZ-CTJICSLTSA-N	-1	1	417.874	3.315	50	30		HGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)NC1=O	ZINC000016115227	558772539	/nfs/dbraw/zinc/77/25/39/558772539.db2.gz	ZGWPWPYPZQJVAH-PPAWOMOGSA-N	-1	1	417.874	3.315	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccccc2F)cc1	ZINC000102723181	560821610	/nfs/dbraw/zinc/82/16/10/560821610.db2.gz	ZWQFEMCEHIBESS-SELCWUDQSA-N	-1	1	405.385	3.251	50	30		HGEAMM
COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCC(=O)[O-]	ZINC000019904638	568585459	/nfs/dbraw/zinc/58/54/59/568585459.db2.gz	VOYFRXGXZLYACA-SFHVURJKSA-N	-1	1	415.829	3.402	50	30		HGEAMM
COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[nH]c21	ZINC000095455172	568616643	/nfs/dbraw/zinc/61/66/43/568616643.db2.gz	NDLPQHHXNZQZSG-UHFFFAOYSA-N	-1	1	424.360	3.041	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)n[n-]c1=S	ZINC000012945051	569029015	/nfs/dbraw/zinc/02/90/15/569029015.db2.gz	XGBRRXVDHRYYBV-UHFFFAOYSA-N	-1	1	402.461	3.334	50	30		HGEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009763855	571284756	/nfs/dbraw/zinc/28/47/56/571284756.db2.gz	HVJOXZCDPKOBRJ-CYBMUJFWSA-N	-1	1	414.424	3.291	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000032609560	526271481	/nfs/dbraw/zinc/27/14/81/526271481.db2.gz	GEGDQLBCFSWYMU-HNNXBMFYSA-N	-1	1	408.395	3.229	50	30		HGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000009044767	557820365	/nfs/dbraw/zinc/82/03/65/557820365.db2.gz	ZCZVZSWKEHAHCH-CQSZACIVSA-N	-1	1	412.383	3.131	50	30		HGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000017162317	558824557	/nfs/dbraw/zinc/82/45/57/558824557.db2.gz	GGINYBNUOGQGHJ-HXUWFJFHSA-N	-1	1	409.438	3.447	50	30		HGEAMM
CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2s1	ZINC000033299078	559048349	/nfs/dbraw/zinc/04/83/49/559048349.db2.gz	JUURHGWMQJVBHR-UHFFFAOYSA-N	-1	1	421.525	3.152	50	30		HGEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1	ZINC000102803364	560826463	/nfs/dbraw/zinc/82/64/63/560826463.db2.gz	VLTNUEMAOSBZGV-GROYHEBESA-N	-1	1	409.354	3.419	50	30		HGEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102804092	560826818	/nfs/dbraw/zinc/82/68/18/560826818.db2.gz	BOTBAQIKONVZRY-GHNGSUTGSA-N	-1	1	410.382	3.220	50	30		HGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(O)c2)cc1	ZINC000102861901	560832116	/nfs/dbraw/zinc/83/21/16/560832116.db2.gz	GNQJTVDDIHOWMM-WOOAAIBNSA-N	-1	1	406.394	3.324	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(O)c2)cc1	ZINC000102861901	560832117	/nfs/dbraw/zinc/83/21/17/560832117.db2.gz	GNQJTVDDIHOWMM-WOOAAIBNSA-N	-1	1	406.394	3.324	50	30		HGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(O)c2)cc1	ZINC000006412934	569046927	/nfs/dbraw/zinc/04/69/27/569046927.db2.gz	HWESSESZYRLTLI-IBGZPJMESA-N	-1	1	406.394	3.480	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(O)c2)cc1	ZINC000006412934	569046928	/nfs/dbraw/zinc/04/69/28/569046928.db2.gz	HWESSESZYRLTLI-IBGZPJMESA-N	-1	1	406.394	3.480	50	30		HGEAMM
N#Cc1c(N)nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c1-c1ccc([O-])cc1	ZINC000019880132	569433033	/nfs/dbraw/zinc/43/30/33/569433033.db2.gz	YBZQMVDFRWVFTH-UHFFFAOYSA-N	-1	1	418.434	3.166	50	30		HGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000001155424	557213554	/nfs/dbraw/zinc/21/35/54/557213554.db2.gz	IIBWHQNCPUPLJW-GOSISDBHSA-N	-1	1	416.393	3.476	50	30		HGEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1cccc(F)c1	ZINC000020309190	558354711	/nfs/dbraw/zinc/35/47/11/558354711.db2.gz	GQCJEEDRFWKYBC-GOSISDBHSA-N	-1	1	418.852	3.325	50	30		HGEAMM
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000018209597	560784421	/nfs/dbraw/zinc/78/44/21/560784421.db2.gz	DVHOMZQYMNPOBQ-SFHVURJKSA-N	-1	1	410.382	3.382	50	30		HGEAMM
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000102699355	560820190	/nfs/dbraw/zinc/82/01/90/560820190.db2.gz	DFCXTKITIBUCOE-GROYHEBESA-N	-1	1	410.382	3.220	50	30		HGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102805576	560827193	/nfs/dbraw/zinc/82/71/93/560827193.db2.gz	JNVGRPQNDOXPLP-GROYHEBESA-N	-1	1	424.434	3.457	50	30		HGEAMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)C(=O)[N-]C1=S	ZINC000001154177	569006371	/nfs/dbraw/zinc/00/63/71/569006371.db2.gz	GXEWLAOQIABXDN-KAQJVSAMSA-N	-1	1	408.907	3.339	50	30		HGEAMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)cc1Br	ZINC000253427979	569368455	/nfs/dbraw/zinc/36/84/55/569368455.db2.gz	HIEDBGFQGQETCX-UHFFFAOYSA-N	-1	1	422.279	3.462	50	30		HGEAMM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1OCC	ZINC000027532027	519002306	/nfs/dbraw/zinc/00/23/06/519002306.db2.gz	CKSGPCCYWTUELE-UHFFFAOYSA-N	-1	1	411.277	3.167	50	30		HGEAMM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1OCC	ZINC000027532027	519002314	/nfs/dbraw/zinc/00/23/14/519002314.db2.gz	CKSGPCCYWTUELE-UHFFFAOYSA-N	-1	1	411.277	3.167	50	30		HGEAMM
C=CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCC	ZINC000027532027	519002320	/nfs/dbraw/zinc/00/23/20/519002320.db2.gz	CKSGPCCYWTUELE-UHFFFAOYSA-N	-1	1	411.277	3.167	50	30		HGEAMM
COc1ccc(/C=N/[N-]S(=O)(=O)c2c(Cl)cc(C)cc2Cl)cc1CO	ZINC000001175282	557227196	/nfs/dbraw/zinc/22/71/96/557227196.db2.gz	MRTCHOLTCKEZIM-UFWORHAWSA-N	-1	1	403.287	3.115	50	30		HGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000005817925	557676267	/nfs/dbraw/zinc/67/62/67/557676267.db2.gz	VLTYQVNOCRPEFI-INIZCTEOSA-N	-1	1	411.414	3.469	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(O)c1)C1=C(CCCC1=O)N2	ZINC000006459003	557703576	/nfs/dbraw/zinc/70/35/76/557703576.db2.gz	MDJKCNJQQVYUEL-INIZCTEOSA-N	-1	1	411.483	3.327	50	30		HGEAMM
Cc1cc2c(cc1Br)NC(=O)C2=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008989838	557817517	/nfs/dbraw/zinc/81/75/17/557817517.db2.gz	MMNWKIDKBGQQQC-UHFFFAOYSA-N	-1	1	420.179	3.342	50	30		HGEAMM
COc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000004422838	558534007	/nfs/dbraw/zinc/53/40/07/558534007.db2.gz	CTNHIIJCVRTANB-SSDVNMTOSA-N	-1	1	412.833	3.406	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(=O)OC)cc1)C1=C(CCCC1=O)N2	ZINC000016361157	558787745	/nfs/dbraw/zinc/78/77/45/558787745.db2.gz	FYQJDMVHVWRYAA-MRXNPFEDSA-N	-1	1	423.494	3.399	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000017859125	558828402	/nfs/dbraw/zinc/82/84/02/558828402.db2.gz	UYHYEBJJFLUVGL-GOSISDBHSA-N	-1	1	405.385	3.407	50	30		HGEAMM
COc1ccc(-n2c([O-])c(C=Nc3ccc(Cl)cc3Cl)c(=O)[nH]c2=O)cc1	ZINC000101589239	560797259	/nfs/dbraw/zinc/79/72/59/560797259.db2.gz	JZCUOBMKFZFQTD-ZVBGSRNCSA-N	-1	1	406.225	3.297	50	30		HGEAMM
COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000102803588	560826603	/nfs/dbraw/zinc/82/66/03/560826603.db2.gz	GYYKYCXXNDFLTH-HVESIFNPSA-N	-1	1	412.423	3.385	50	30		HGEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccco2)nc1C	ZINC000102879676	560833603	/nfs/dbraw/zinc/83/36/03/560833603.db2.gz	NZJDYEMHMKUKJL-DPEHCCBOSA-N	-1	1	424.434	3.457	50	30		HGEAMM
CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000102880829	560833786	/nfs/dbraw/zinc/83/37/86/560833786.db2.gz	UGPJUWSGMBRQBQ-YDJIHCHBSA-N	-1	1	408.454	3.039	50	30		HGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)cc1	ZINC000104205259	560849717	/nfs/dbraw/zinc/84/97/17/560849717.db2.gz	UUAQEXGIPBESGC-GROYHEBESA-N	-1	1	407.451	3.481	50	30		HGEAMM
C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCCC)[n-]c(=O)c21	ZINC000086057891	568754063	/nfs/dbraw/zinc/75/40/63/568754063.db2.gz	HHEYRZMSITZOEI-CYBMUJFWSA-N	-1	1	401.488	3.320	50	30		HGEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1ccncc1	ZINC000004292293	568963587	/nfs/dbraw/zinc/96/35/87/568963587.db2.gz	GAJUTIVDBCBMGA-INIZCTEOSA-N	-1	1	412.515	3.474	50	30		HGEAMM
C=CCOc1ccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc1OC	ZINC000008739193	568983464	/nfs/dbraw/zinc/98/34/64/568983464.db2.gz	IXOADLRRXGZYEG-MRXNPFEDSA-N	-1	1	403.438	3.484	50	30		HGEAMM
O=C([O-])COc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc32)CC1	ZINC000004889169	557610136	/nfs/dbraw/zinc/61/01/36/557610136.db2.gz	HMDDNEYOGWFUOB-PCLIKHOPSA-N	-1	1	403.482	3.455	50	30		HGEAMM
O=[N+]([O-])c1cccnc1N=NCc1cc(Cl)cc(I)c1[O-]	ZINC000009264387	557833840	/nfs/dbraw/zinc/83/38/40/557833840.db2.gz	OUXOCFREMSLDGQ-OMCISZLKSA-N	-1	1	418.578	3.399	50	30		HGEAMM
CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1	ZINC000016749717	558804406	/nfs/dbraw/zinc/80/44/06/558804406.db2.gz	YFCAYQWAJBYKTI-QGZVFWFLSA-N	-1	1	422.466	3.423	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000102491389	560812169	/nfs/dbraw/zinc/81/21/69/560812169.db2.gz	UIJDIUKXRNGSGY-GROYHEBESA-N	-1	1	402.366	3.011	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N2	ZINC000046074484	568426738	/nfs/dbraw/zinc/42/67/38/568426738.db2.gz	LTTMNODSYQWGCM-NSHDSACASA-N	-1	1	404.879	3.074	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(OC)c1OCCC)CC(=O)N2	ZINC000086057973	568753985	/nfs/dbraw/zinc/75/39/85/568753985.db2.gz	ULGGZHLPOHHBOA-ZDUSSCGKSA-N	-1	1	401.488	3.320	50	30		HGEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1	ZINC000025523844	568772718	/nfs/dbraw/zinc/77/27/18/568772718.db2.gz	VJJFOAMNYFAVOE-UHFFFAOYSA-N	-1	1	421.265	3.212	50	30		HGEAMM
C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(CC=C)C3=O)c2C)cc1	ZINC000002175500	569006981	/nfs/dbraw/zinc/00/69/81/569006981.db2.gz	QHXGIHBLTRCVHH-XSFVSMFZSA-N	-1	1	421.522	3.472	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc(OC)cc3O)n2)n[n-]c1=S	ZINC000012930035	569024137	/nfs/dbraw/zinc/02/41/37/569024137.db2.gz	QAVZGVQYSWKUCL-UHFFFAOYSA-N	-1	1	403.489	3.140	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc(OC)cc3[O-])n2)n[nH]c1=S	ZINC000012930035	569024138	/nfs/dbraw/zinc/02/41/38/569024138.db2.gz	QAVZGVQYSWKUCL-UHFFFAOYSA-N	-1	1	403.489	3.140	50	30		HGEAMM
C=CCN1C(=O)C(=CNCC[C@@H](c2ccco2)c2ccc(C)cc2)C(=O)[N-]C1=S	ZINC000006908799	569178704	/nfs/dbraw/zinc/17/87/04/569178704.db2.gz	STCORNCEORRVPB-SOGDLCAJSA-N	-1	1	409.511	3.013	50	30		HGEAMM
COC(=O)c1ccc(COc2c(C=Nn3c(C)n[n-]c3=S)cccc2OC)o1	ZINC000008511557	571067379	/nfs/dbraw/zinc/06/73/79/571067379.db2.gz	VHSVOKJYKQYBJT-DJKKODMXSA-N	-1	1	402.432	3.099	50	30		HGEAMM
C=CCOc1c(Br)cc(Br)cc1/C=C1\NC(=S)[N-]C1=O	ZINC000008955277	571181210	/nfs/dbraw/zinc/18/12/10/571181210.db2.gz	JMJKYFWRYQRZMT-YHYXMXQVSA-N	-1	1	418.110	3.122	50	30		HGEAMM
C=CCN1C(=O)C(=Cc2cc(Br)cc(OC)c2OC)C(=O)[N-]C1=S	ZINC000033334337	518830328	/nfs/dbraw/zinc/83/03/28/518830328.db2.gz	IMDADKSCHUUIHR-XFFZJAGNSA-N	-1	1	411.277	3.119	50	30		HGEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(OCc3ccccc3Cl)c2)NC1=O	ZINC000016115242	527637182	/nfs/dbraw/zinc/63/71/82/527637182.db2.gz	AVFQWMVQOVHLSM-PPAWOMOGSA-N	-1	1	417.874	3.315	50	30		HGEAMM
C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c([O-])nc3ccccn3c2=O)cc1OC	ZINC000205961479	559190226	/nfs/dbraw/zinc/19/02/26/559190226.db2.gz	WBDHGNQYCDTBPZ-MRXNPFEDSA-N	-1	1	424.453	3.059	50	30		HGEAMM
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)ccc1O	ZINC000100297631	559193171	/nfs/dbraw/zinc/19/31/71/559193171.db2.gz	NWHLOWYQLORDAA-YDJIHCHBSA-N	-1	1	402.406	3.422	50	30		HGEAMM
COc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000102803586	560826669	/nfs/dbraw/zinc/82/66/69/560826669.db2.gz	GYYKYCXXNDFLTH-GROYHEBESA-N	-1	1	412.423	3.385	50	30		HGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(O)c2)cc1	ZINC000102861899	560832111	/nfs/dbraw/zinc/83/21/11/560832111.db2.gz	GNQJTVDDIHOWMM-LFVOPCPISA-N	-1	1	406.394	3.324	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(O)c2)cc1	ZINC000102861899	560832113	/nfs/dbraw/zinc/83/21/13/560832113.db2.gz	GNQJTVDDIHOWMM-LFVOPCPISA-N	-1	1	406.394	3.324	50	30		HGEAMM
CCOC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])s3)sc2C1	ZINC000012378131	568551174	/nfs/dbraw/zinc/55/11/74/568551174.db2.gz	OIIYBMHVEKUNDA-UHFFFAOYSA-N	-1	1	406.445	3.356	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(OC)c1OCCC)CC(=O)N2	ZINC000086057978	568753998	/nfs/dbraw/zinc/75/39/98/568753998.db2.gz	ULGGZHLPOHHBOA-CYBMUJFWSA-N	-1	1	401.488	3.320	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)CCc3c(C)noc3C)n2)n[n-]c1=S	ZINC000012770895	568951679	/nfs/dbraw/zinc/95/16/79/568951679.db2.gz	VJIVIDYYXSXUKX-UHFFFAOYSA-N	-1	1	404.521	3.350	50	30		HGEAMM
C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(CC=C)C3=O)c2C)cc1	ZINC000015012985	569004248	/nfs/dbraw/zinc/00/42/48/569004248.db2.gz	QHXGIHBLTRCVHH-ZHZULCJRSA-N	-1	1	421.522	3.472	50	30		HGEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(Br)ccc1OC)CC(=O)N2	ZINC000021784384	518337023	/nfs/dbraw/zinc/33/70/23/518337023.db2.gz	KFRJUPIHOVTIQW-NSHDSACASA-N	-1	1	420.288	3.153	50	30		HGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)o1	ZINC000001154109	557212856	/nfs/dbraw/zinc/21/28/56/557212856.db2.gz	HGSIMVBZEGOQMS-MRXNPFEDSA-N	-1	1	406.354	3.069	50	30		HGEAMM
COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(I)c1[O-]	ZINC000004698995	557583144	/nfs/dbraw/zinc/58/31/44/557583144.db2.gz	RMVOOFFBDNWAIO-UHFFFAOYSA-N	-1	1	406.175	3.468	50	30		HGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1	ZINC000019848745	558295118	/nfs/dbraw/zinc/29/51/18/558295118.db2.gz	ANZQZOYNVBESFK-GOSISDBHSA-N	-1	1	401.365	3.408	50	30		HGEAMM
Cc1cc(Br)cc2c1NC(=O)C2=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016134163	558773210	/nfs/dbraw/zinc/77/32/10/558773210.db2.gz	BKJPHMPPHSSOAN-UHFFFAOYSA-N	-1	1	420.179	3.342	50	30		HGEAMM
N#Cc1ccc(CSc2nc(CC(=O)N3CCCc4ccccc43)cc(=O)[n-]2)cc1	ZINC000023243444	559064838	/nfs/dbraw/zinc/06/48/38/559064838.db2.gz	MFVXOLKRAJEPML-UHFFFAOYSA-N	-1	1	416.506	3.456	50	30		HGEAMM
COc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000102699358	560820210	/nfs/dbraw/zinc/82/02/10/560820210.db2.gz	DFCXTKITIBUCOE-HVESIFNPSA-N	-1	1	410.382	3.220	50	30		HGEAMM
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102800183	560828351	/nfs/dbraw/zinc/82/83/51/560828351.db2.gz	ROKFBANSEJTBBA-REQDGWNSSA-N	-1	1	414.424	3.134	50	30		HGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102930912	560835470	/nfs/dbraw/zinc/83/54/70/560835470.db2.gz	GRDDLBHKOHOWJZ-IBOXJLQUSA-N	-1	1	422.422	3.381	50	30		HGEAMM
C#CCN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000058007818	568875042	/nfs/dbraw/zinc/87/50/42/568875042.db2.gz	YKAIQOHSOGLJAQ-UHFFFAOYSA-N	-1	1	412.442	3.495	50	30		HGEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc3c(c2)OCO3)cc1	ZINC000008694902	571102645	/nfs/dbraw/zinc/10/26/45/571102645.db2.gz	LRUTXWSVQXLYTD-HXUWFJFHSA-N	-1	1	423.421	3.167	50	30		HGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000008827565	571122424	/nfs/dbraw/zinc/12/24/24/571122424.db2.gz	AZZSKKKSEPSTFS-SFHVURJKSA-N	-1	1	422.393	3.454	50	30		HGEAMM
C=CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[n-]2)C1	ZINC000049421330	518929722	/nfs/dbraw/zinc/92/97/22/518929722.db2.gz	WGZTWJJHHNGSJC-HNNXBMFYSA-N	-1	1	424.526	3.179	50	30		HGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(Br)ccc1OC)CC(=O)N2	ZINC000021784381	519080422	/nfs/dbraw/zinc/08/04/22/519080422.db2.gz	WGHDZKGMJISETF-LLVKDONJSA-N	-1	1	422.304	3.293	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	ZINC000008836929	557811496	/nfs/dbraw/zinc/81/14/96/557811496.db2.gz	SGTZEFCORPMJNC-KRWDZBQOSA-N	-1	1	420.356	3.307	50	30		HGEAMM
COc1ccc(C=Nn2cc([O-])c(-c3nc4ccccc4[nH]3)c2N)c(OC)c1OC	ZINC000102727480	560822022	/nfs/dbraw/zinc/82/20/22/560822022.db2.gz	IFQMZNNEDWNXAU-GJOJOWEBSA-N	-1	1	407.430	3.185	50	30		HGEAMM
CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1	ZINC000005799866	568735264	/nfs/dbraw/zinc/73/52/64/568735264.db2.gz	DZVSJHHTXBIVMQ-SELCWUDQSA-N	-1	1	402.853	3.462	50	30		HGEAMM
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000012343703	568994716	/nfs/dbraw/zinc/99/47/16/568994716.db2.gz	UHEJSKCJAJNTOQ-XFXZXTDPSA-N	-1	1	417.830	3.321	50	30		HGEAMM
COc1cc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)ccc1O	ZINC000006281504	569037290	/nfs/dbraw/zinc/03/72/90/569037290.db2.gz	XMBBALBTPFAKRZ-LJQANCHMSA-N	-1	1	406.394	3.480	50	30		HGEAMM
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000006281504	569037291	/nfs/dbraw/zinc/03/72/91/569037291.db2.gz	XMBBALBTPFAKRZ-LJQANCHMSA-N	-1	1	406.394	3.480	50	30		HGEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000006813742	569137247	/nfs/dbraw/zinc/13/72/47/569137247.db2.gz	XZDFEUDEWICCIN-KRWDZBQOSA-N	-1	1	402.366	3.168	50	30		HGEAMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000009311652	569392211	/nfs/dbraw/zinc/39/22/11/569392211.db2.gz	CPMZLGDPBQRYTQ-OQLLNIDSSA-N	-1	1	424.551	3.163	50	30		HGEAMM
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc3c(c2)OCO3)cc1	ZINC000008694903	571102606	/nfs/dbraw/zinc/10/26/06/571102606.db2.gz	LRUTXWSVQXLYTD-FQEVSTJZSA-N	-1	1	423.421	3.167	50	30		HGEAMM
COc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000008739382	571110233	/nfs/dbraw/zinc/11/02/33/571110233.db2.gz	NJHYMKYXGZMOLA-KRWDZBQOSA-N	-1	1	410.382	3.376	50	30		HGEAMM
C=CCN1C(=O)C(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[N-]C1=S	ZINC000033332153	518832767	/nfs/dbraw/zinc/83/27/67/518832767.db2.gz	WECSMMSOGVAVAQ-SXGWCWSVSA-N	-1	1	409.467	3.476	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)n[n-]c1=S	ZINC000024831440	519193977	/nfs/dbraw/zinc/19/39/77/519193977.db2.gz	PMRDKDXWPFQMKO-UHFFFAOYSA-N	-1	1	417.516	3.443	50	30		HGEAMM
C/C(=N/n1cnnc1)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000016310417	558785118	/nfs/dbraw/zinc/78/51/18/558785118.db2.gz	SZGUTIRGAQRFIK-NDENLUEZSA-N	-1	1	420.292	3.114	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccccc2F)cc1	ZINC000013569839	558844467	/nfs/dbraw/zinc/84/44/67/558844467.db2.gz	GCOPRWVVVRQHBL-GOSISDBHSA-N	-1	1	405.385	3.407	50	30		HGEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccnc2)cc1	ZINC000102925187	560834250	/nfs/dbraw/zinc/83/42/50/560834250.db2.gz	PHJSZPMLOACCKO-LFVOPCPISA-N	-1	1	405.410	3.403	50	30		HGEAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2)cc1C	ZINC000095461582	568620904	/nfs/dbraw/zinc/62/09/04/568620904.db2.gz	XHWUMXYSKIAFQA-SFHVURJKSA-N	-1	1	415.540	3.185	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)n[n-]c1=S	ZINC000012823858	569007474	/nfs/dbraw/zinc/00/74/74/569007474.db2.gz	HTEILCYPMVPLDA-UHFFFAOYSA-N	-1	1	402.461	3.334	50	30		HGEAMM
C=CCn1c(Cc2csc(NC(=O)c3cnn(-c4ccccc4)n3)n2)n[n-]c1=S	ZINC000023041847	569023930	/nfs/dbraw/zinc/02/39/30/569023930.db2.gz	FAKAONPLTOSKHW-UHFFFAOYSA-N	-1	1	424.515	3.007	50	30		HGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000013110891	569409277	/nfs/dbraw/zinc/40/92/77/569409277.db2.gz	OGJUXLCXCHQMNM-IBGZPJMESA-N	-1	1	417.421	3.277	50	30		HGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000013110891	569409278	/nfs/dbraw/zinc/40/92/78/569409278.db2.gz	OGJUXLCXCHQMNM-IBGZPJMESA-N	-1	1	417.421	3.277	50	30		HGEAMM