smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-]	ZINC000001696782	209782300	/nfs/dbraw/zinc/78/23/00/209782300.db2.gz	PKPWHWSEFOJGEV-UHFFFAOYSA-N	-1	0	343.977	4.341	40	30		EIEBRM
O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1	ZINC000005584351	201656322	/nfs/dbraw/zinc/65/63/22/201656322.db2.gz	DAMLBIRBWLHGPN-UHFFFAOYSA-N	-1	0	344.322	4.107	40	30		EIEBRM
Cc1ccc(/N=C\c2ccc(-c3ccc(S(=O)(=O)[O-])cc3)o2)cc1	ZINC000006029602	563557723	/nfs/dbraw/zinc/55/77/23/563557723.db2.gz	DPMUIXIOXJTWOH-UNOMPAQXSA-N	-1	0	341.388	4.252	40	30		EIEBRM
O=C([O-])c1ccc(NC=CC(=O)c2cccc3ccccc32)cc1O	ZINC000409180947	564010860	/nfs/dbraw/zinc/01/08/60/564010860.db2.gz	ZMRPICJWGBHAJA-ZHACJKMWSA-N	-1	0	333.343	4.052	40	30		EIEBRM
COc1cccc(/C=N/c2cccc(Cl)c2C)c1O[C@@H](C)C(=O)[O-]	ZINC000409231776	564011275	/nfs/dbraw/zinc/01/12/75/564011275.db2.gz	KNQSSQDFTCXMBE-QDBSGRMGSA-N	-1	0	347.798	4.260	40	30		EIEBRM
CCCCCCC/C=C/C(=O)N1C([O-])=C(C(C)=O)C(=O)[C@H]1CC(C)C	ZINC000114285054	564134468	/nfs/dbraw/zinc/13/44/68/564134468.db2.gz	QHXAUDQIMHYILR-LPQFERQCSA-N	-1	0	349.471	4.088	40	30	biogenic	EIEBRM
COc1ccc([C@@H](C)/N=C/c2cc(Br)ccc2O)cc1	ZINC000057412006	1046246559	/nfs/dbraw/zinc/24/65/59/1046246559.db2.gz	HZPFYHSKQOETIF-VDCVXVNISA-N	-1	0	334.213	4.343	40	30		EIEBRM
Cc1ccccc1/N=C\c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000098064186	219075782	/nfs/dbraw/zinc/07/57/82/219075782.db2.gz	JRWAHLXTWUNKFW-PXNMLYILSA-N	-1	0	335.157	4.122	40	30		EIEBRM
C=CCn1c(=O)c2c(C)c(Cc3ccccc3)sc2[n-]c1=S	ZINC000036644080	213106125	/nfs/dbraw/zinc/10/61/25/213106125.db2.gz	LUGUITLUVUTVPK-UHFFFAOYSA-N	-1	0	328.462	4.206	40	30		EIEBRM
CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C=C[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027642633	520294872	/nfs/dbraw/zinc/29/48/72/520294872.db2.gz	UQOQENZZLBSFKO-ZJOCCBHUSA-N	-1	0	334.456	4.056	40	30	in-vitro	EIEBRM
Cc1cc(/C(c2ccccc2C(=O)[O-])=C2/C=CC(=O)C(C)=C2)ccc1O	ZINC000003953836	563491712	/nfs/dbraw/zinc/49/17/12/563491712.db2.gz	VRKTWSJIQFFUOJ-LTGZKZEYSA-N	-1	0	346.382	4.286	40	30	in-vitro	EIEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2C(F)(F)F)c1[O-]	ZINC000006229689	563561686	/nfs/dbraw/zinc/56/16/86/563561686.db2.gz	JRWCNESCRSFVEA-UFWORHAWSA-N	-1	0	340.257	4.078	40	30		EIEBRM
C/C(=N\N(c1ccccc1)c1ccccc1)c1c([O-])cc(C)oc1=O	ZINC000008655313	563634302	/nfs/dbraw/zinc/63/43/02/563634302.db2.gz	CPMSDWKLQXVAJD-RCCKNPSSSA-N	-1	0	334.375	4.216	40	30		EIEBRM
CCCCCC(=O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000013546206	563929975	/nfs/dbraw/zinc/92/99/75/563929975.db2.gz	YKXHFAJZOFTAOC-DTXSUPOZSA-N	-1	0	334.456	4.489	40	30	in-vitro	EIEBRM
O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc3ncccc3c2)cc1	ZINC000408935799	564008130	/nfs/dbraw/zinc/00/81/30/564008130.db2.gz	NTFTZMSHVKYQKG-OEAKJJBVSA-N	-1	0	341.370	4.474	40	30		EIEBRM
Cc1ccccc1/N=C\c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000409103321	564009971	/nfs/dbraw/zinc/00/99/71/564009971.db2.gz	YALOQLHUJBRWFW-PXNMLYILSA-N	-1	0	335.157	4.122	40	30		EIEBRM
COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC(=O)[O-]	ZINC000409213870	564011146	/nfs/dbraw/zinc/01/11/46/564011146.db2.gz	UFAWADGJMMEELR-AWQFTUOYSA-N	-1	0	347.798	4.179	40	30		EIEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@@H]1CCC1=CCOC1=O	ZINC000104648423	564023926	/nfs/dbraw/zinc/02/39/26/564023926.db2.gz	FHQSDRHZGCMBKG-WOUAJJJCSA-N	-1	0	332.440	4.113	40	30	biogenic,in-vitro	EIEBRM
CCN(CC)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000059248236	564050553	/nfs/dbraw/zinc/05/05/53/564050553.db2.gz	YAWWUWLVWPIEIF-HFITWMCCSA-N	-1	0	340.423	4.135	40	30		EIEBRM
Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(C(=O)[O-])cc1C	ZINC000006236043	564129787	/nfs/dbraw/zinc/12/97/87/564129787.db2.gz	YXVMTKZCKHNFDD-WSDLNYQXSA-N	-1	0	340.398	4.492	40	30		EIEBRM
O=C([O-])c1cc(-c2ccc(CN=Nc3ccccn3)o2)ccc1Cl	ZINC000033773462	564129905	/nfs/dbraw/zinc/12/99/05/564129905.db2.gz	DLVJMQXGPCZDGV-JMIUGGIZSA-N	-1	0	341.754	4.139	40	30		EIEBRM
O=C([O-])C(C(=O)/C=C/c1ccc(Cl)cc1)=C1SCCCS1	ZINC000062716092	564133834	/nfs/dbraw/zinc/13/38/34/564133834.db2.gz	VVTLXQDQEORIGG-QPJJXVBHSA-N	-1	0	340.853	4.089	40	30		EIEBRM
CCCCCCC=CC(=O)C=CC=CC=C[C@@H](O)CCCC(=O)[O-]	ZINC000004632131	201608936	/nfs/dbraw/zinc/60/89/36/201608936.db2.gz	SJVWVCVZWMJXOK-NOJHDUNKSA-N	-1	0	334.456	4.367	40	30	endogenous,in-man	EIEBRM
[O-]/N=C/c1ccc(-c2ccc(I)cc2Cl)o1	ZINC000020154459	212107074	/nfs/dbraw/zinc/10/70/74/212107074.db2.gz	WDOAJHDYWAWLLP-MKMNVTDBSA-N	-1	0	347.539	4.013	40	30		EIEBRM
C[C@H](Oc1ccc(/C=N/c2cccc(Br)c2)cc1)C(=O)[O-]	ZINC000039557343	257854922	/nfs/dbraw/zinc/85/49/22/257854922.db2.gz	WATURTGCCMDDEW-HPAYWCODSA-N	-1	0	348.196	4.052	40	30		EIEBRM
O=C([O-])C(C(=O)/C=C/c1cccc(Cl)c1)=C1SCCCS1	ZINC000062716091	564133823	/nfs/dbraw/zinc/13/38/23/564133823.db2.gz	JUWRLVXRYUWGTM-AATRIKPKSA-N	-1	0	340.853	4.089	40	30		EIEBRM
CCc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000005686778	563545588	/nfs/dbraw/zinc/54/55/88/563545588.db2.gz	IHNJLBDBVZDTEP-RQZCQDPDSA-N	-1	0	349.184	4.376	40	30		EIEBRM
C[C@H](Oc1ccc(/C=N\c2ccccc2Br)cc1)C(=O)[O-]	ZINC000408848165	564007581	/nfs/dbraw/zinc/00/75/81/564007581.db2.gz	QJFCJNVVBMFZOE-TZQXVGBESA-N	-1	0	348.196	4.052	40	30		EIEBRM
COc1cccc(/C=N/c2cccc3ccccc32)c1O[C@@H](C)C(=O)[O-]	ZINC000409235656	564011302	/nfs/dbraw/zinc/01/13/02/564011302.db2.gz	CRVVBUMELJXEGF-KOUDTOEKSA-N	-1	0	349.386	4.451	40	30		EIEBRM
Cc1[nH]c2ccccc2c1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000108016286	564129989	/nfs/dbraw/zinc/12/99/89/564129989.db2.gz	NWYPZMWERBAODU-QFYJTSQWSA-N	-1	0	339.445	4.351	40	30		EIEBRM
CCCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)[O-]	ZINC000028538031	202172840	/nfs/dbraw/zinc/17/28/40/202172840.db2.gz	BFVRFWIQTACAPT-QGZVFWFLSA-N	-1	0	343.508	4.029	40	30		EIEBRM
CCCCCC=CC=C1C(=O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000034042563	202271465	/nfs/dbraw/zinc/27/14/65/202271465.db2.gz	QUGBPWLPAUHDTI-DRGDGMNSSA-N	-1	0	334.456	4.200	40	30	in-vitro	EIEBRM
C/C(=N\c1ccc(Cl)cc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362659	203992530	/nfs/dbraw/zinc/99/25/30/203992530.db2.gz	WCXPQFNJZYUYRL-RGVLZGJSSA-N	-1	0	326.783	4.038	40	30		EIEBRM
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CCC1=CCOC1=O	ZINC000013780187	211637726	/nfs/dbraw/zinc/63/77/26/211637726.db2.gz	FHQSDRHZGCMBKG-FIYPYCPBSA-N	-1	0	332.440	4.113	40	30	biogenic,in-vitro	EIEBRM
CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(C(=O)[O-])c(O)c2)C1	ZINC000408563637	563479269	/nfs/dbraw/zinc/47/92/69/563479269.db2.gz	QNIDKJTUPBOPJV-YLSINNKHSA-N	-1	0	331.412	4.192	40	30		EIEBRM
CCCCCCC=CC(=O)C=CC=CC=C[C@@H](O)CCCC(=O)[O-]	ZINC000043898792	563925956	/nfs/dbraw/zinc/92/59/56/563925956.db2.gz	SJVWVCVZWMJXOK-XTPWLKIHSA-N	-1	0	334.456	4.367	40	30	in-vitro	EIEBRM
CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000100360041	563982567	/nfs/dbraw/zinc/98/25/67/563982567.db2.gz	MYHXHCUNDDAEOZ-JLGPIWRLSA-N	-1	0	334.456	4.056	40	30	endogenous,in-man	EIEBRM
O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000409079946	564009521	/nfs/dbraw/zinc/00/95/21/564009521.db2.gz	GZKMDYPPOOXOLK-GHXNOFRVSA-N	-1	0	334.158	4.044	40	30		EIEBRM
COc1cccc(/C=N/c2ccc(C(C)C)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409247258	564011328	/nfs/dbraw/zinc/01/13/28/564011328.db2.gz	CVNZJVMZWYUWLS-STCDJXRXSA-N	-1	0	341.407	4.421	40	30		EIEBRM
O=C1Nc2c(cc(F)cc2F)C1=NNc1cccc(Cl)c1Cl	ZINC000223752142	564040785	/nfs/dbraw/zinc/04/07/85/564040785.db2.gz	SCSUHMSUIIYZFT-UHFFFAOYSA-N	-1	0	342.132	4.040	40	30		EIEBRM
C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)[O-])CCC=C(C)CC[C@H]12	ZINC000585660632	1049499911	/nfs/dbraw/zinc/49/99/11/1049499911.db2.gz	SORYERHBQFTRIK-QZTJIDSGSA-N	-1	0	330.424	4.342	40	30	biogenic,in-vitro	EIEBRM
[O-]/N=C/c1ccc(-c2ccc(SCCO)c(Cl)c2Cl)o1	ZINC000022124752	212278223	/nfs/dbraw/zinc/27/82/23/212278223.db2.gz	JTFZOAGCJRQSNI-FRKPEAEDSA-N	-1	0	332.208	4.146	40	30		EIEBRM
C=C1CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@H]1CCC1=CCOC1=O	ZINC000014486551	207766225	/nfs/dbraw/zinc/76/62/25/207766225.db2.gz	FHQSDRHZGCMBKG-ACZWYYKOSA-N	-1	0	332.440	4.113	40	30	biogenic,in-vitro	EIEBRM
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C(=O)[O-])CC/C=C(\C)CC[C@@H]12	ZINC000031165526	518657915	/nfs/dbraw/zinc/65/79/15/518657915.db2.gz	SORYERHBQFTRIK-LHZBGWKNSA-N	-1	0	330.424	4.342	40	30	biogenic,in-vitro	EIEBRM
Cc1cc(/C=N/c2ccc(Cc3ccncc3)cc2)c([O-])c([N+](=O)[O-])c1	ZINC000006389915	563567018	/nfs/dbraw/zinc/56/70/18/563567018.db2.gz	JPGUMFUKWKYWQV-LPYMAVHISA-N	-1	0	347.374	4.345	40	30		EIEBRM
Cc1sc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])nc1-c1ccccc1	ZINC000011613970	563649887	/nfs/dbraw/zinc/64/98/87/563649887.db2.gz	UIKRRDIPHXPAPJ-VCHYOVAHSA-N	-1	0	339.376	4.483	40	30		EIEBRM
CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C=C[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000100616130	563982678	/nfs/dbraw/zinc/98/26/78/563982678.db2.gz	UQOQENZZLBSFKO-JIHZSLSFSA-N	-1	0	334.456	4.056	40	30		EIEBRM
O=C([O-])c1ccc(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000408913081	564007949	/nfs/dbraw/zinc/00/79/49/564007949.db2.gz	KOWKVRQMJLWDRM-ODLFYWEKSA-N	-1	0	336.303	4.304	40	30		EIEBRM
COc1cc(/C=N/c2cccc3ccccc32)ccc1O[C@H](C)C(=O)[O-]	ZINC000409010434	564008888	/nfs/dbraw/zinc/00/88/88/564008888.db2.gz	DXLIUHUFCYFBDW-CYGNYLSHSA-N	-1	0	349.386	4.451	40	30		EIEBRM
O=C([O-])c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(O)cc2)c1	ZINC000409023086	564009015	/nfs/dbraw/zinc/00/90/15/564009015.db2.gz	CTIXAGOENMGDEA-RGVLZGJSSA-N	-1	0	340.766	4.285	40	30		EIEBRM
O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=N/O)cc1	ZINC000409068326	564009384	/nfs/dbraw/zinc/00/93/84/564009384.db2.gz	RXJNKXZIQWJBAX-CNHKJKLMSA-N	-1	0	340.162	4.079	40	30		EIEBRM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(/C=N\[O-])c1	ZINC000409089844	564009708	/nfs/dbraw/zinc/00/97/08/564009708.db2.gz	KPMWVEBSPYAXDZ-LSCVHKIXSA-N	-1	0	326.230	4.214	40	30		EIEBRM
CC(=O)c1ccc(N=Cc2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000409100569	564009946	/nfs/dbraw/zinc/00/99/46/564009946.db2.gz	UXHHRBYWMRTVCQ-FYJGNVAPSA-N	-1	0	332.359	4.129	40	30		EIEBRM
O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(F)cc2F)c1	ZINC000409108123	564010144	/nfs/dbraw/zinc/01/01/44/564010144.db2.gz	VOAJCWOQMBOTLO-SRZZPIQSSA-N	-1	0	326.302	4.204	40	30		EIEBRM
Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cccc(C(=O)[O-])c1	ZINC000006235830	564014618	/nfs/dbraw/zinc/01/46/18/564014618.db2.gz	VVZCTYUPOGRPDT-CIAFOILYSA-N	-1	0	326.371	4.183	40	30		EIEBRM
CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1[O-]	ZINC000006958993	564015258	/nfs/dbraw/zinc/01/52/58/564015258.db2.gz	PKAKHBUPFCEJCZ-GIJQJNRQSA-N	-1	0	334.759	4.412	40	30		EIEBRM
O=C1Nc2c(cc(F)cc2F)C1=NNc1cc(Cl)cc(Cl)c1	ZINC000223750818	564040778	/nfs/dbraw/zinc/04/07/78/564040778.db2.gz	TWKZGLGISXLJJA-UHFFFAOYSA-N	-1	0	342.132	4.040	40	30		EIEBRM
Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(C(=O)[O-])cc1	ZINC000006235828	564129785	/nfs/dbraw/zinc/12/97/85/564129785.db2.gz	FHMRUWAXVAYRDH-CIAFOILYSA-N	-1	0	326.371	4.183	40	30		EIEBRM
CCCCC(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000006396836	564129828	/nfs/dbraw/zinc/12/98/28/564129828.db2.gz	NGTGKGIFHZGWOW-XDHOZWIPSA-N	-1	0	341.367	4.180	40	30		EIEBRM
C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C(=O)[O-])CC/C=C(\C)CC[C@@H]12	ZINC000031165522	564159006	/nfs/dbraw/zinc/15/90/06/564159006.db2.gz	SORYERHBQFTRIK-JMQTVVQQSA-N	-1	0	330.424	4.342	40	30	biogenic,in-vitro	EIEBRM
CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639038	520315578	/nfs/dbraw/zinc/31/55/78/520315578.db2.gz	MYHXHCUNDDAEOZ-UKUWKSPLSA-N	-1	0	334.456	4.056	40	30	in-vitro	EIEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2nc(-c3ccccc3)cs2)c1	ZINC000004643874	563506548	/nfs/dbraw/zinc/50/65/48/563506548.db2.gz	WEHOGRSUNLNPPI-RQZCQDPDSA-N	-1	0	325.349	4.175	40	30		EIEBRM
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1	ZINC000006283403	563564115	/nfs/dbraw/zinc/56/41/15/563564115.db2.gz	WQKNFJIWBGSTAM-UHFFFAOYSA-N	-1	0	344.322	4.107	40	30		EIEBRM
COc1c2ccoc2cc([O-])c1C(=O)/C=C\c1ccc(N(C)C)cc1	ZINC000013409823	563698042	/nfs/dbraw/zinc/69/80/42/563698042.db2.gz	SEDZRELYWQNTEK-TWGQIWQCSA-N	-1	0	337.375	4.109	40	30		EIEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc(N3CCCCC3)cc2)c1[O-]	ZINC000016384157	563810243	/nfs/dbraw/zinc/81/02/43/563810243.db2.gz	IKUQPEJOXFJBLK-CPNJWEJPSA-N	-1	0	325.368	4.041	40	30		EIEBRM
CCCCCCCC[C@@H](O)/C=C/C=C\C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000064858062	563957237	/nfs/dbraw/zinc/95/72/37/563957237.db2.gz	NGTXCORNXNELNU-SCFGRGRNSA-N	-1	0	338.488	4.382	40	30	in-vitro	EIEBRM
CCCC/N=C(\C)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643560	563982682	/nfs/dbraw/zinc/98/26/82/563982682.db2.gz	QNKSLFFPECPCGB-PXLXIMEGSA-N	-1	0	334.419	4.305	40	30		EIEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2C)c(C)n1-c1ccccn1	ZINC000409236526	564011242	/nfs/dbraw/zinc/01/12/42/564011242.db2.gz	RTDMNQVMGMGFEP-WSDLNYQXSA-N	-1	0	333.391	4.246	40	30		EIEBRM
O=C([O-])c1cccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)c1	ZINC000409368711	564011890	/nfs/dbraw/zinc/01/18/90/564011890.db2.gz	IZRRRHREFHCHET-FOWTUZBSSA-N	-1	0	330.339	4.467	40	30		EIEBRM
CC/N=C1\S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1CC	ZINC000059104774	564050454	/nfs/dbraw/zinc/05/04/54/564050454.db2.gz	BQUVQSALTWMWKZ-PTTHNCPPSA-N	-1	0	345.251	4.011	40	30		EIEBRM
Cc1nc(N)c(C#N)c(-c2cc(Cl)ccc2[O-])c1-c1ccccc1	ZINC000408980709	564133662	/nfs/dbraw/zinc/13/36/62/564133662.db2.gz	SLYVEIKDBKEHCC-UHFFFAOYSA-N	-1	0	335.794	4.367	40	30		EIEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(N3CCCC3)cc2)c1[O-]	ZINC000003213519	201560501	/nfs/dbraw/zinc/56/05/01/201560501.db2.gz	UPPPWFCTGYSZJT-YBFXNURJSA-N	-1	0	345.786	4.305	40	30		EIEBRM
CCCCC[C@H](O)C/C=C1\C(=O)C=C[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000013533040	257900501	/nfs/dbraw/zinc/90/05/01/257900501.db2.gz	TUXFWOHFPFBNEJ-QCQDYFLGSA-N	-1	0	334.456	4.200	40	30	in-vitro	EIEBRM
Cc1cc(N=NCc2ccccc2Cl)nc(-c2ccccc2[O-])n1	ZINC000036237443	525047157	/nfs/dbraw/zinc/04/71/57/525047157.db2.gz	VYUJWIRZESYEJA-JAIQZWGSSA-N	-1	0	338.798	4.257	40	30		EIEBRM
Cc1ccc(C)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000005541925	563538143	/nfs/dbraw/zinc/53/81/43/563538143.db2.gz	BLZFKWOUINXYAK-CAOOACKPSA-N	-1	0	349.184	4.430	40	30		EIEBRM
CCCCC[C@](C)(O)/C=C/[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000043772001	563925960	/nfs/dbraw/zinc/92/59/60/563925960.db2.gz	UEBXYYKXJUBAJX-NQAPHPBLSA-N	-1	0	348.483	4.446	40	30	in-vitro	EIEBRM
COc1ccc(-n2cccc2/C=N\c2cc(C(=O)[O-])ccc2C)cc1	ZINC000408850859	564007602	/nfs/dbraw/zinc/00/76/02/564007602.db2.gz	SJQLVPXPGQSUEE-BKUYFWCQSA-N	-1	0	334.375	4.243	40	30		EIEBRM
CCCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000138764897	564130034	/nfs/dbraw/zinc/13/00/34/564130034.db2.gz	KVUWALZXOUPHEM-SWSUDDKPSA-N	-1	0	344.461	4.350	40	30		EIEBRM
Cc1cc(/C=N/c2ccccc2N2CCCCC2)c([O-])c([N+](=O)[O-])c1	ZINC000066339499	568415334	/nfs/dbraw/zinc/41/53/34/568415334.db2.gz	DCWLNVXCQWPPRO-DEDYPNTBSA-N	-1	0	339.395	4.350	40	30		EIEBRM
C=C1CC[C@H]2[C@@](C)(C(=O)[O-])CCC[C@@]2(C)[C@H]1CCC1=CCOC1=O	ZINC000014486555	207766188	/nfs/dbraw/zinc/76/61/88/207766188.db2.gz	FHQSDRHZGCMBKG-JSJNYSNDSA-N	-1	0	332.440	4.113	40	30	biogenic,in-vitro	EIEBRM
Cc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1C	ZINC000005730725	563547632	/nfs/dbraw/zinc/54/76/32/563547632.db2.gz	MNRPAFOUWKGJBM-CAOOACKPSA-N	-1	0	349.184	4.430	40	30		EIEBRM
Cc1cc(Br)ccc1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000083295924	563925774	/nfs/dbraw/zinc/92/57/74/563925774.db2.gz	RVZKKSPTPFTSIG-PXNMLYILSA-N	-1	0	335.157	4.122	40	30		EIEBRM
CCCCC[C@H](O)/C=C\[C@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000100601313	563982674	/nfs/dbraw/zinc/98/26/74/563982674.db2.gz	MYHXHCUNDDAEOZ-ULSYPUGDSA-N	-1	0	334.456	4.056	40	30		EIEBRM
Cc1cc(Br)ccc1/N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408903890	564007898	/nfs/dbraw/zinc/00/78/98/564007898.db2.gz	AXJDPLYQKJQUDJ-PXNMLYILSA-N	-1	0	335.157	4.122	40	30		EIEBRM
O=C([O-])c1cccc(-n2cccc2/C=N\c2ccc(Cl)cc2O)c1	ZINC000409091021	564009767	/nfs/dbraw/zinc/00/97/67/564009767.db2.gz	SGTDJYBSBFJRGY-JAIQZWGSSA-N	-1	0	340.766	4.285	40	30		EIEBRM
C[C@H](Oc1ccc(/C=N/c2ccc(Br)cc2)cc1)C(=O)[O-]	ZINC000059678306	564050975	/nfs/dbraw/zinc/05/09/75/564050975.db2.gz	QCVAZQOOVCKTQC-HPAYWCODSA-N	-1	0	348.196	4.052	40	30		EIEBRM
CCCCC[C@H](O)/C=C\C1=C(C/C=C/CCCC(=O)[O-])C(=O)CC1	ZINC000013521590	564073921	/nfs/dbraw/zinc/07/39/21/564073921.db2.gz	PRFXRIUZNKLRHM-RAEBTWBNSA-N	-1	0	334.456	4.345	40	30	in-vitro	EIEBRM
O=c1[n-]c(=S)[nH]nc1-c1ccccc1N=Cc1c[nH]c2ccccc12	ZINC000054363757	214234040	/nfs/dbraw/zinc/23/40/40/214234040.db2.gz	XULRYYYVGYFPFI-KEBDBYFISA-N	-1	0	347.403	4.139	40	30		EIEBRM
C/C(=N\c1ccccc1Cl)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101161202	219117957	/nfs/dbraw/zinc/11/79/57/219117957.db2.gz	MQLRCOQUNQXJPX-RGVLZGJSSA-N	-1	0	326.783	4.038	40	30		EIEBRM
O=[N+]([O-])c1cc(Cl)cc(C=NNc2cccc(Cl)c2)c1[O-]	ZINC000038176068	213205477	/nfs/dbraw/zinc/20/54/77/213205477.db2.gz	HHWZOXALYKSWIV-FRKPEAEDSA-N	-1	0	326.139	4.053	40	30		EIEBRM
CCCCCCCC[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000008860454	211011824	/nfs/dbraw/zinc/01/18/24/211011824.db2.gz	NGTXCORNXNELNU-CHHAPGPYSA-N	-1	0	338.488	4.382	40	30	in-vitro	EIEBRM
N#Cc1c2[nH]c(=O)cc([O-])c2sc1SCc1ccccc1Cl	ZINC000004945396	210335828	/nfs/dbraw/zinc/33/58/28/210335828.db2.gz	PYQOUEYAZBXHSO-UHFFFAOYSA-N	-1	0	348.836	4.113	40	30		EIEBRM
Cc1cc(=O)[n-]c(N=NC(=CC(C)c2ccccc2)c2ccccc2)n1	ZINC000008649210	257911965	/nfs/dbraw/zinc/91/19/65/257911965.db2.gz	QHGXJCQYAFKFJZ-ISIJLCPBSA-N	-1	0	344.418	4.410	40	30		EIEBRM
CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000005523755	519922602	/nfs/dbraw/zinc/92/26/02/519922602.db2.gz	FMKLAIBZMCURLI-VCUNKILJSA-N	-1	0	334.456	4.489	40	30		EIEBRM
CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013537587	563700460	/nfs/dbraw/zinc/70/04/60/563700460.db2.gz	UQOQENZZLBSFKO-YQGAQKBJSA-N	-1	0	334.456	4.056	40	30		EIEBRM
C=C1C[C@H](O)[C@H](C/C=C\CCCC(=O)[O-])[C@H]1/C=C/C(=O)CCCCC	ZINC000033820491	563994464	/nfs/dbraw/zinc/99/44/64/563994464.db2.gz	SAAKCJFTIGHOEX-WQXLGBCHSA-N	-1	0	348.483	4.446	40	30	in-vitro	EIEBRM
Cc1ccc(C)n1-c1ccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408904922	564007909	/nfs/dbraw/zinc/00/79/09/564007909.db2.gz	QKWBNQKVEBBYIM-NDENLUEZSA-N	-1	0	335.363	4.459	40	30		EIEBRM
Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000408932223	564008128	/nfs/dbraw/zinc/00/81/28/564008128.db2.gz	BPSMVKZQRDPFDT-UDWIEESQSA-N	-1	0	349.346	4.143	40	30		EIEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1cccn1-c1ccc(N(C)C)cc1	ZINC000408949281	564008251	/nfs/dbraw/zinc/00/82/51/564008251.db2.gz	ALEBYIFXRHPRKE-HYARGMPZSA-N	-1	0	347.418	4.301	40	30		EIEBRM
Cc1c(/N=C/c2ccc(N3CCCC3)c(F)c2)cccc1C(=O)[O-]	ZINC000409073330	564009519	/nfs/dbraw/zinc/00/95/19/564009519.db2.gz	MJCYYBSUCRDBKJ-CIAFOILYSA-N	-1	0	326.371	4.183	40	30		EIEBRM
O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(F)cc2F)cc1	ZINC000409238650	564011238	/nfs/dbraw/zinc/01/12/38/564011238.db2.gz	LJHQDASKNKTKKG-SRZZPIQSSA-N	-1	0	326.302	4.204	40	30		EIEBRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(N3CCCCC3)cc2)c1	ZINC000254296593	564124713	/nfs/dbraw/zinc/12/47/13/564124713.db2.gz	ZCECQSRPLJFOOF-UHFFFAOYSA-N	-1	0	325.368	4.041	40	30		EIEBRM
CCCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000033615037	564129901	/nfs/dbraw/zinc/12/99/01/564129901.db2.gz	KVUWALZXOUPHEM-GETRYHMISA-N	-1	0	344.461	4.350	40	30		EIEBRM
N=C1SC(=Cc2c(F)cccc2Cl)C([O-])=C1c1nccs1	ZINC000107912175	564129972	/nfs/dbraw/zinc/12/99/72/564129972.db2.gz	XEWUMKBSZUGSPI-HWEJLSFOSA-N	-1	0	338.816	4.353	40	30		EIEBRM
Cc1c(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cccc1C(=O)[O-]	ZINC000197554004	1054280329	/nfs/dbraw/zinc/28/03/29/1054280329.db2.gz	NMYSOWLPGHUAJW-HYARGMPZSA-N	-1	0	347.418	4.301	40	30		EIEBRM
CCCc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000104192071	219358868	/nfs/dbraw/zinc/35/88/68/219358868.db2.gz	MTRZNTTXCPDXFS-FXBPSFAMSA-N	-1	0	340.814	4.311	40	30		EIEBRM
Cc1ccc(C(=NCc2cccnc2)Nc2ccccc2C(=O)[O-])cc1	ZINC000020799348	212173746	/nfs/dbraw/zinc/17/37/46/212173746.db2.gz	RQIAPPNJHMNFQS-UHFFFAOYSA-N	-1	0	345.402	4.147	40	30		EIEBRM
COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C(=O)[O-])cc1	ZINC000409239578	257873466	/nfs/dbraw/zinc/87/34/66/257873466.db2.gz	ZGRPXVFMZYRZOR-KGENOOAVSA-N	-1	0	338.407	4.134	40	30		EIEBRM
N#CCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000058837599	257853538	/nfs/dbraw/zinc/85/35/38/257853538.db2.gz	FTDBZIOENFITNH-UWVAXJGDSA-N	-1	0	346.386	4.114	40	30		EIEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccc(N3CCCCC3)cc2)c1[O-]	ZINC000005740723	135672759	/nfs/dbraw/zinc/67/27/59/135672759.db2.gz	IKUQPEJOXFJBLK-UYRXBGFRSA-N	-1	0	325.368	4.041	40	30		EIEBRM
C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C(=O)[O-])CC/C=C(\C)CC[C@H]12	ZINC000031165530	518659505	/nfs/dbraw/zinc/65/95/05/518659505.db2.gz	SORYERHBQFTRIK-PUWPUPSASA-N	-1	0	330.424	4.342	40	30	biogenic,in-vitro	EIEBRM
[O-]c1ccc(/N=C\c2ccc(O)cc2O)cc1-c1nc2ccccc2o1	ZINC000005605056	526341607	/nfs/dbraw/zinc/34/16/07/526341607.db2.gz	ZUMLYRAKSWWFCL-NHDPSOOVSA-N	-1	0	346.342	4.362	40	30		EIEBRM
C=CCc1cc(/C=N/c2cccc(C(=O)[O-])c2C)cc(OCC)c1O	ZINC000408857779	564007635	/nfs/dbraw/zinc/00/76/35/564007635.db2.gz	WOKHYJBQBOFRFO-CIAFOILYSA-N	-1	0	339.391	4.277	40	30		EIEBRM
CCCCC[C@H](O)/C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000100596164	564087299	/nfs/dbraw/zinc/08/72/99/564087299.db2.gz	BGKHCLZFGPIKKU-FNQWWAFDSA-N	-1	0	336.472	4.280	40	30		EIEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccccc2N2CCCCC2)c1[O-]	ZINC000066339504	568415346	/nfs/dbraw/zinc/41/53/46/568415346.db2.gz	WOJCQMOXJNKQIF-CPNJWEJPSA-N	-1	0	325.368	4.041	40	30		EIEBRM
[O-]/N=C(\Cc1ccccc1)c1ccc(OCc2ccccc2)cc1O	ZINC000006474756	527588614	/nfs/dbraw/zinc/58/86/14/527588614.db2.gz	ADQBTXUWLLSLAL-LSDHQDQOSA-N	-1	0	333.387	4.392	40	30		EIEBRM
CC/C=C\C[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)[O-])C(=O)CC1	ZINC000014500780	563760162	/nfs/dbraw/zinc/76/01/62/563760162.db2.gz	DQRGQQAJYRBDRP-UNBCGXALSA-N	-1	0	332.440	4.121	40	30	in-vitro	EIEBRM
CCn1c2ccccc2nc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000016162951	563805116	/nfs/dbraw/zinc/80/51/16/563805116.db2.gz	SUEFAOQDOZHVMJ-FYJGNVAPSA-N	-1	0	345.406	4.007	40	30		EIEBRM
COc1cccc(/C=N/c2ccc(C(C)C)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409247257	564011319	/nfs/dbraw/zinc/01/13/19/564011319.db2.gz	CVNZJVMZWYUWLS-OMBDHMDGSA-N	-1	0	341.407	4.421	40	30		EIEBRM
CCCCCCCC[C@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000064858058	564097101	/nfs/dbraw/zinc/09/71/01/564097101.db2.gz	NGTXCORNXNELNU-OUZMKVEGSA-N	-1	0	338.488	4.382	40	30	in-vitro	EIEBRM
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000012496015	520312561	/nfs/dbraw/zinc/31/25/61/520312561.db2.gz	UQOQENZZLBSFKO-POPPZSFYSA-N	-1	0	334.456	4.056	40	30	endogenous,in-man	EIEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(N3CCCCC3)cc2)c1	ZINC000005227493	563523281	/nfs/dbraw/zinc/52/32/81/563523281.db2.gz	ZCECQSRPLJFOOF-CPNJWEJPSA-N	-1	0	325.368	4.041	40	30		EIEBRM
O=C([O-])c1ccc(N=NC=C(Br)Cc2ccccc2)cc1	ZINC000003175811	564004101	/nfs/dbraw/zinc/00/41/01/564004101.db2.gz	IUDAOHGNPUJUAD-FJYMYNMMSA-N	-1	0	345.196	4.219	40	30		EIEBRM
COc1cccc(/C=N\c2ccc3ccccc3c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409238599	564011233	/nfs/dbraw/zinc/01/12/33/564011233.db2.gz	KLDKERMMAYQNAJ-CRRPLPBISA-N	-1	0	349.386	4.451	40	30		EIEBRM
CCCCCC(=O)CC[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639044	564133579	/nfs/dbraw/zinc/13/35/79/564133579.db2.gz	FMKLAIBZMCURLI-AZTQUHGTSA-N	-1	0	334.456	4.489	40	30	in-vitro	EIEBRM
C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)[O-])CCC=C(C)CC[C@@H]12	ZINC000585660633	1049500957	/nfs/dbraw/zinc/50/09/57/1049500957.db2.gz	SORYERHBQFTRIK-ZWKOTPCHSA-N	-1	0	330.424	4.342	40	30	biogenic,in-vitro	EIEBRM
CCCCCCCCCCCCCCS(=O)(=O)N(C)CC(=O)[O-]	ZINC000100922025	219112174	/nfs/dbraw/zinc/11/21/74/219112174.db2.gz	PSKCOBNBEVXQJY-UHFFFAOYSA-N	-1	0	349.537	4.034	40	30		EIEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2ccco2)cc1	ZINC000104094088	219345526	/nfs/dbraw/zinc/34/55/26/219345526.db2.gz	UJLQWWKTPBKCDT-UYRXBGFRSA-N	-1	0	340.404	4.139	40	30		EIEBRM
[O-]/N=C/c1cc(Cl)ccc1OCc1cccc(Br)c1	ZINC000216853856	241216225	/nfs/dbraw/zinc/21/62/25/241216225.db2.gz	QUSVYWSEGGHOHC-CAOOACKPSA-N	-1	0	340.604	4.490	40	30		EIEBRM
Cc1ccc(/N=C/c2ccc(-c3ccc(S(=O)(=O)[O-])cc3)o2)cc1	ZINC000016292961	211894213	/nfs/dbraw/zinc/89/42/13/211894213.db2.gz	DPMUIXIOXJTWOH-XDHOZWIPSA-N	-1	0	341.388	4.252	40	30		EIEBRM
CCCCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013516012	262506418	/nfs/dbraw/zinc/50/64/18/262506418.db2.gz	MYHXHCUNDDAEOZ-USRHFZIESA-N	-1	0	334.456	4.056	40	30	in-vitro	EIEBRM
Cc1[nH]c2ccccc2c1/C=N/c1cccc(-c2n[n-]c(=N)s2)c1	ZINC000408718503	563614862	/nfs/dbraw/zinc/61/48/62/563614862.db2.gz	RVBQFQPYYDPEFG-KEBDBYFISA-N	-1	0	333.420	4.158	40	30		EIEBRM
Cc1nc2ccccc2nc1COc1ccc2ccccc2c1/C=N/[O-]	ZINC000016265419	563807061	/nfs/dbraw/zinc/80/70/61/563807061.db2.gz	PKJCNHQSOMSINQ-WSDLNYQXSA-N	-1	0	343.386	4.479	40	30		EIEBRM
CCCCCCCCC/C(=N\O)c1ccc(OCC(=O)[O-])cc1O	ZINC000100925738	563982804	/nfs/dbraw/zinc/98/28/04/563982804.db2.gz	HHLBHVCXGCZVID-KNTRCKAVSA-N	-1	0	337.416	4.175	40	30		EIEBRM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1	ZINC000001240983	564003115	/nfs/dbraw/zinc/00/31/15/564003115.db2.gz	ZYOOZLMFCLBLJW-UNOMPAQXSA-N	-1	0	338.436	4.197	40	30		EIEBRM
CCc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000113859018	564019739	/nfs/dbraw/zinc/01/97/39/564019739.db2.gz	QPSJGRPNOSTQEM-RQZCQDPDSA-N	-1	0	349.184	4.376	40	30		EIEBRM
CCCCCCCCCCCCCCN(C)C(=O)COCC(=O)[O-]	ZINC000100932613	219112041	/nfs/dbraw/zinc/11/20/41/219112041.db2.gz	OVPMBNHGWDXHMV-UHFFFAOYSA-N	-1	0	343.508	4.247	40	30		EIEBRM
Cc1ccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1Cl	ZINC000038166565	213203818	/nfs/dbraw/zinc/20/38/18/213203818.db2.gz	SPWITMNAWUNULF-REZTVBANSA-N	-1	0	340.166	4.362	40	30		EIEBRM
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027642638	520315047	/nfs/dbraw/zinc/31/50/47/520315047.db2.gz	UQOQENZZLBSFKO-CMZRNJOUSA-N	-1	0	334.456	4.056	40	30	in-vitro	EIEBRM
O=C1C(=O)C(CCCCCCCCCCO)=C([O-])c2ccccc21	ZINC000004879494	527128706	/nfs/dbraw/zinc/12/87/06/527128706.db2.gz	LTCSCBQSWQLTDP-UHFFFAOYSA-N	-1	0	330.424	4.381	40	30		EIEBRM
CCCCC[C@H](O)/C=C\[C@H]1C(=O)C=C[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000013537592	560218884	/nfs/dbraw/zinc/21/88/84/560218884.db2.gz	UQOQENZZLBSFKO-NSOPVQHXSA-N	-1	0	334.456	4.056	40	30	in-vitro	EIEBRM
Cc1cc(/C=N/c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1ccccc1	ZINC000408739001	563638825	/nfs/dbraw/zinc/63/88/25/563638825.db2.gz	RBXCHULQIMPMIZ-CIAFOILYSA-N	-1	0	334.375	4.249	40	30		EIEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/N=C2c3ccccc3-c3ccccc32)c1	ZINC000036383704	563644780	/nfs/dbraw/zinc/64/47/80/563644780.db2.gz	IMVJNWBYQSODKO-CIAFOILYSA-N	-1	0	343.342	4.152	40	30		EIEBRM
Cc1cc(/C(c2ccccc2C(=O)[O-])=C2\C=CC(=O)C(C)=C2)ccc1O	ZINC000012671061	563667523	/nfs/dbraw/zinc/66/75/23/563667523.db2.gz	VRKTWSJIQFFUOJ-PGMHBOJBSA-N	-1	0	346.382	4.286	40	30	in-vitro	EIEBRM
CCCCC[C@@H](O)/C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000100885346	563982786	/nfs/dbraw/zinc/98/27/86/563982786.db2.gz	BGKHCLZFGPIKKU-ZKJXKXPLSA-N	-1	0	336.472	4.280	40	30		EIEBRM
O=C([O-])c1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000409094883	564009654	/nfs/dbraw/zinc/00/96/54/564009654.db2.gz	GLKJAVAERNJZQE-REZTVBANSA-N	-1	0	339.134	4.350	40	30		EIEBRM
Cc1ccc(C)c(/N=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])c1	ZINC000409088526	564009713	/nfs/dbraw/zinc/00/97/13/564009713.db2.gz	KFTKJXPGVWFACO-IUXPMGMMSA-N	-1	0	349.184	4.430	40	30		EIEBRM
O=C([O-])c1cc(/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl	ZINC000409102913	564009967	/nfs/dbraw/zinc/00/99/67/564009967.db2.gz	WQUQXTVBCUNNCE-IDUWFGFVSA-N	-1	0	339.134	4.350	40	30		EIEBRM
O=C1Nc2c(cc(F)cc2F)C1=NNc1ccc(Cl)cc1Cl	ZINC000223750751	564040764	/nfs/dbraw/zinc/04/07/64/564040764.db2.gz	LAUKVFRBGVTEFF-UHFFFAOYSA-N	-1	0	342.132	4.040	40	30		EIEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2N2CCCCC2)c1	ZINC000066339515	568415336	/nfs/dbraw/zinc/41/53/36/568415336.db2.gz	LUDPQUDYIIIWER-CPNJWEJPSA-N	-1	0	325.368	4.041	40	30		EIEBRM
CCCCCC(=O)CC[C@@H]1C(=O)C=C[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000100016287	219087937	/nfs/dbraw/zinc/08/79/37/219087937.db2.gz	GCYWVCQBMLYQGZ-RCVQAOCZSA-N	-1	0	334.456	4.489	40	30	in-vitro	EIEBRM
CC[C@H](C)/N=C(\C)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370487	219097979	/nfs/dbraw/zinc/09/79/79/219097979.db2.gz	UCXVWNRHOYZZFK-UGHXVNEISA-N	-1	0	334.419	4.304	40	30		EIEBRM
CCCCCC=CC=C1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000064857714	214810924	/nfs/dbraw/zinc/81/09/24/214810924.db2.gz	QUGBPWLPAUHDTI-HZKWRGKMSA-N	-1	0	334.456	4.200	40	30	in-vitro	EIEBRM
COc1ccc(/C=N\O)cc1OCc1ccc(Cl)cc1Cl	ZINC000103859203	219327666	/nfs/dbraw/zinc/32/76/66/219327666.db2.gz	XRTIVVWLLFXRRH-LSCVHKIXSA-N	-1	0	326.179	4.389	40	30		EIEBRM
COc1cccc2cc(C(=N[O-])c3cc4cccc(OC)c4o3)oc21	ZINC000068602742	215321029	/nfs/dbraw/zinc/32/10/29/215321029.db2.gz	PLCBAQZNTZVVSB-UHFFFAOYSA-N	-1	0	337.331	4.423	40	30		EIEBRM
CCCCC[C@H](O)C/C=C1/C(=O)C=C[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000013533036	211572496	/nfs/dbraw/zinc/57/24/96/211572496.db2.gz	TUXFWOHFPFBNEJ-WZWUSEDTSA-N	-1	0	334.456	4.200	40	30	in-vitro	EIEBRM
COc1cccc(/C=N/c2cc(Cl)ccc2C)c1O[C@@H](C)C(=O)[O-]	ZINC000409229729	257873888	/nfs/dbraw/zinc/87/38/88/257873888.db2.gz	UGBOAQPCQNOVNX-QDBSGRMGSA-N	-1	0	347.798	4.260	40	30		EIEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccco2)cc1	ZINC000017429171	563844365	/nfs/dbraw/zinc/84/43/65/563844365.db2.gz	UJLQWWKTPBKCDT-CPNJWEJPSA-N	-1	0	340.404	4.139	40	30		EIEBRM
Cc1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])c(C)c1	ZINC000083309087	563925757	/nfs/dbraw/zinc/92/57/57/563925757.db2.gz	GVTFXGJXSCHTRN-IUXPMGMMSA-N	-1	0	349.184	4.430	40	30		EIEBRM
CCCCC[C@H](O)C/C=C1\C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000100612358	563970915	/nfs/dbraw/zinc/97/09/15/563970915.db2.gz	TUXFWOHFPFBNEJ-WHYHPIPXSA-N	-1	0	334.456	4.200	40	30	in-vitro	EIEBRM
CC(=O)c1ccc(N=Cc2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000408936842	564008133	/nfs/dbraw/zinc/00/81/33/564008133.db2.gz	PZSZKVSDUHMJAW-FYJGNVAPSA-N	-1	0	332.359	4.129	40	30		EIEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCCCC2)c1[O-]	ZINC000066339528	568415349	/nfs/dbraw/zinc/41/53/49/568415349.db2.gz	QBBBYGQGJCNDHQ-DEDYPNTBSA-N	-1	0	339.395	4.350	40	30		EIEBRM
C=C1C(=O)O[C@H]2C=C(C)CCC=C(C(=O)[O-])CCC=C(C)CC[C@H]12	ZINC000585660631	1049500462	/nfs/dbraw/zinc/50/04/62/1049500462.db2.gz	SORYERHBQFTRIK-MSOLQXFVSA-N	-1	0	330.424	4.342	40	30	biogenic,in-vitro	EIEBRM
CCCCC[C@H](O)/C=C/C1=C(C/C=C/CCCC(=O)[O-])C(=O)CC1	ZINC000100031914	219089151	/nfs/dbraw/zinc/08/91/51/219089151.db2.gz	PRFXRIUZNKLRHM-OSJNIVAESA-N	-1	0	334.456	4.345	40	30	in-vivo	EIEBRM
Cc1c(F)c(F)c(-c2c(F)c(F)c([O-])c(F)c2F)c(F)c1F	ZINC000100502874	219100603	/nfs/dbraw/zinc/10/06/03/219100603.db2.gz	CORWFHVGQJAVRN-UHFFFAOYSA-N	-1	0	328.158	4.480	40	30		EIEBRM
CCCCCCCC[C@@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)[O-]	ZINC000064858054	214810395	/nfs/dbraw/zinc/81/03/95/214810395.db2.gz	NGTXCORNXNELNU-RWPFCQMQSA-N	-1	0	338.488	4.382	40	30	in-vitro	EIEBRM
Cc1ccc(/N=C/c2cc(Br)cc(Cl)c2[O-])c(N)c1	ZINC000000050797	209390406	/nfs/dbraw/zinc/39/04/06/209390406.db2.gz	WESZRWCENZHDCE-CNHKJKLMSA-N	-1	0	339.620	4.449	40	30		EIEBRM
O=C([O-])c1ccccc1COc1ccc(C=NNc2ccccc2)cc1	ZINC000017072077	211953651	/nfs/dbraw/zinc/95/36/51/211953651.db2.gz	XNAQUKLAWVRPNP-HYARGMPZSA-N	-1	0	346.386	4.410	40	30		EIEBRM
O=C1C(=O)C(CCCc2ccc3c(c2)CCC3)=C([O-])c2ccccc21	ZINC000004878240	210309725	/nfs/dbraw/zinc/30/97/25/210309725.db2.gz	FJNPNXDAXNOROS-UHFFFAOYSA-N	-1	0	332.399	4.389	40	30		EIEBRM
Cc1cc(/C=N/c2ccc(N3CCCCC3)cc2)c([O-])c([N+](=O)[O-])c1	ZINC000006714398	563581586	/nfs/dbraw/zinc/58/15/86/563581586.db2.gz	VSKKRPUBLJZNMG-DEDYPNTBSA-N	-1	0	339.395	4.350	40	30		EIEBRM
O=[N+]([O-])c1ccc([O-])cc1/C=N/CCSc1ccc(Cl)cc1	ZINC000017126024	563837581	/nfs/dbraw/zinc/83/75/81/563837581.db2.gz	OPDLONPGGPBTJP-LICLKQGHSA-N	-1	0	336.800	4.165	40	30		EIEBRM
N=C1SC(=Cc2c(F)cccc2Cl)C([O-])=C1c1nccs1	ZINC000136525796	564000096	/nfs/dbraw/zinc/00/00/96/564000096.db2.gz	XEWUMKBSZUGSPI-RJQBZGFSSA-N	-1	0	338.816	4.353	40	30		EIEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1cccn1-c1ccc(N(C)C)cc1	ZINC000408950149	564008195	/nfs/dbraw/zinc/00/81/95/564008195.db2.gz	DQNGRYTXSBWBND-HMAPJEAMSA-N	-1	0	347.418	4.301	40	30		EIEBRM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1/C=N/[O-]	ZINC000409079494	564009591	/nfs/dbraw/zinc/00/95/91/564009591.db2.gz	BMHUAZOSFAHSQZ-QGMBQPNBSA-N	-1	0	326.230	4.214	40	30		EIEBRM
CCCCCCCC(=O)N1NC(CCCC)=C[C@@]1(O)C(F)(F)F	ZINC000101493993	219128827	/nfs/dbraw/zinc/12/88/27/219128827.db2.gz	RSRBTOBTPSWHPA-OAHLLOKOSA-N	-1	0	336.398	4.376	40	30		EIEBRM
CCCCC[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000004096983	210119660	/nfs/dbraw/zinc/11/96/60/210119660.db2.gz	TUXFWOHFPFBNEJ-GJGHEGAFSA-N	-1	0	334.456	4.200	40	30	endogenous,in-man	EIEBRM
CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000012495022	211393963	/nfs/dbraw/zinc/39/39/63/211393963.db2.gz	FMKLAIBZMCURLI-BFVRRIQPSA-N	-1	0	334.456	4.489	40	30	endogenous,in-man	EIEBRM
COc1cc(N2CCCCC2)ccc1/C=N/c1cccc(C(=O)[O-])c1	ZINC000409238107	257873517	/nfs/dbraw/zinc/87/35/17/257873517.db2.gz	CBKMCQSBTBUSSA-KGENOOAVSA-N	-1	0	338.407	4.134	40	30		EIEBRM
COc1cccc(/C=N/c2cccc(C(=O)[O-])c2C)c1OC(C)C	ZINC000409014963	257882589	/nfs/dbraw/zinc/88/25/89/257882589.db2.gz	QZOXRIYSJOJHEQ-RGVLZGJSSA-N	-1	0	327.380	4.240	40	30		EIEBRM
CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(C(=O)[O-])c(O)c2)C1	ZINC000408563633	257896695	/nfs/dbraw/zinc/89/66/95/257896695.db2.gz	QNIDKJTUPBOPJV-XZHRJIJLSA-N	-1	0	331.412	4.192	40	30		EIEBRM
O=C([O-])c1ccccc1/C=N/N=C1c2ccccc2-c2ccccc21	ZINC000001710151	563405708	/nfs/dbraw/zinc/40/57/08/563405708.db2.gz	AMULTEKXIYUBCP-LPYMAVHISA-N	-1	0	326.355	4.237	40	30	in-vitro	EIEBRM
CSc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000002586916	563443638	/nfs/dbraw/zinc/44/36/38/563443638.db2.gz	LTYYGQXXOUFRAH-BOPFTXTBSA-N	-1	0	326.450	4.212	40	30		EIEBRM
Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1Br	ZINC000005287488	563525189	/nfs/dbraw/zinc/52/51/89/563525189.db2.gz	CLKXYYDRFLWVKY-LZYBPNLTSA-N	-1	0	335.157	4.122	40	30		EIEBRM
CCCCn1c(=O)c(C(=O)/C=C/c2ccccc2)c([O-])c2ccccc21	ZINC000006593072	563573937	/nfs/dbraw/zinc/57/39/37/563573937.db2.gz	OOYJNKMCFMHFEC-BUHFOSPRSA-N	-1	0	347.414	4.403	40	30		EIEBRM
COc1cc(NC=CC(=O)c2ccc(C)cc2)c(Cl)cc1C(=O)[O-]	ZINC000016291710	563807816	/nfs/dbraw/zinc/80/78/16/563807816.db2.gz	FXXMIPSGEQORTN-FPLPWBNLSA-N	-1	0	345.782	4.164	40	30		EIEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccc(Cl)c3cccnc23)c1	ZINC000025692601	563887418	/nfs/dbraw/zinc/88/74/18/563887418.db2.gz	SMIHUVQXPFKXJE-OCKHKDLRSA-N	-1	0	327.727	4.253	40	30		EIEBRM
C[C@@H](Oc1ccc(/C=N/c2cccc(Br)c2)cc1)C(=O)[O-]	ZINC000039557344	563900261	/nfs/dbraw/zinc/90/02/61/563900261.db2.gz	WATURTGCCMDDEW-VDCVXVNISA-N	-1	0	348.196	4.052	40	30		EIEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1Cl	ZINC000408844718	564007532	/nfs/dbraw/zinc/00/75/32/564007532.db2.gz	LBKVCBKPBSZDDW-FBCYGCLPSA-N	-1	0	342.153	4.347	40	30		EIEBRM
CCCCOC(=O)c1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408905123	564007881	/nfs/dbraw/zinc/00/78/81/564007881.db2.gz	UABQRNOJNKTCSN-XDHOZWIPSA-N	-1	0	342.351	4.008	40	30		EIEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(N2CCCC2)c(F)c1	ZINC000409072073	564009481	/nfs/dbraw/zinc/00/94/81/564009481.db2.gz	ASECQKOIFWRJHK-CIAFOILYSA-N	-1	0	326.371	4.183	40	30		EIEBRM
CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1O	ZINC000006613701	564014871	/nfs/dbraw/zinc/01/48/71/564014871.db2.gz	JDHZEQOMJZSQJZ-CMDGGOBGSA-N	-1	0	347.208	4.450	40	30		EIEBRM
CCCCC[C@H](O)/C=C\C1=C(C/C=C\CCCC(=O)[O-])C(=O)CC1	ZINC000013521587	564073885	/nfs/dbraw/zinc/07/38/85/564073885.db2.gz	PRFXRIUZNKLRHM-YLHQBQKESA-N	-1	0	334.456	4.345	40	30	in-vitro	EIEBRM
O=C([O-])c1ccccc1/C=N/c1c(-c2ccco2)nc2ccccn21	ZINC000107885850	564129982	/nfs/dbraw/zinc/12/99/82/564129982.db2.gz	VQTPLLRJLLOWOY-UDWIEESQSA-N	-1	0	331.331	4.043	40	30		EIEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@H]1CCC1=CCOC1=O	ZINC000253388250	564130356	/nfs/dbraw/zinc/13/03/56/564130356.db2.gz	FHQSDRHZGCMBKG-XAMWDVODSA-N	-1	0	332.440	4.113	40	30	biogenic,in-vitro	EIEBRM
CCCCC[C@@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000014952989	520294180	/nfs/dbraw/zinc/29/41/80/520294180.db2.gz	TUXFWOHFPFBNEJ-VSTXSWORSA-N	-1	0	334.456	4.200	40	30	in-vitro	EIEBRM
CCCCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000005309357	520720503	/nfs/dbraw/zinc/72/05/03/520720503.db2.gz	FQWDYEWFGNWHDA-XDHOZWIPSA-N	-1	0	342.351	4.008	40	30		EIEBRM
O=[N+]([O-])c1ccc([O-])cc1/C=N\CCSc1ccc(Cl)cc1	ZINC000104214060	527370772	/nfs/dbraw/zinc/37/07/72/527370772.db2.gz	OPDLONPGGPBTJP-YVLHZVERSA-N	-1	0	336.800	4.165	40	30		EIEBRM
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000005820773	560203309	/nfs/dbraw/zinc/20/33/09/560203309.db2.gz	UQOQENZZLBSFKO-UIELIKDOSA-N	-1	0	334.456	4.056	40	30	in-vitro	EIEBRM
O=C([O-])c1ccccc1/C=N\N=C1c2ccccc2-c2ccccc21	ZINC000013703967	563712956	/nfs/dbraw/zinc/71/29/56/563712956.db2.gz	AMULTEKXIYUBCP-XKZIYDEJSA-N	-1	0	326.355	4.237	40	30	in-vitro	EIEBRM
O=C([O-])c1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1	ZINC000013703974	563712970	/nfs/dbraw/zinc/71/29/70/563712970.db2.gz	UDYNXPSETJWNEU-XKZIYDEJSA-N	-1	0	326.355	4.237	40	30	in-vitro	EIEBRM
Cc1cc([O-])c(C(=O)/C=C/c2ccc3c(c2)Cc2ccccc2-3)c(=O)o1	ZINC000225394072	563995857	/nfs/dbraw/zinc/99/58/57/563995857.db2.gz	XCMWOKSMRKZNHF-VQHVLOKHSA-N	-1	0	344.366	4.121	40	30		EIEBRM
Cc1cc(Br)ccc1/N=C\c1cccc([N+](=O)[O-])c1[O-]	ZINC000409067285	564009347	/nfs/dbraw/zinc/00/93/47/564009347.db2.gz	OTBCKIGQCVJPOL-PXNMLYILSA-N	-1	0	335.157	4.122	40	30		EIEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2O)cc1	ZINC000409248100	564011320	/nfs/dbraw/zinc/01/13/20/564011320.db2.gz	FZVXIKFZBXLVDK-JAIQZWGSSA-N	-1	0	340.766	4.285	40	30		EIEBRM
Cc1cc([O-])c(C(=O)/C=C/c2ccc(-c3ccccc3)s2)c(=O)o1	ZINC000007351513	564066504	/nfs/dbraw/zinc/06/65/04/564066504.db2.gz	PEGIPGXUAGPUGD-VQHVLOKHSA-N	-1	0	338.384	4.278	40	30		EIEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccccc3Cl)SC2=N)s1	ZINC000107870804	564130010	/nfs/dbraw/zinc/13/00/10/564130010.db2.gz	XONGZHNMCBUWMT-IKKFDYCRSA-N	-1	0	349.868	4.172	40	30		EIEBRM
CCCCCCCC[C@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)[O-]	ZINC000137067608	564130028	/nfs/dbraw/zinc/13/00/28/564130028.db2.gz	NGTXCORNXNELNU-GTIBUSQDSA-N	-1	0	338.488	4.382	40	30		EIEBRM
O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(Cl)cc2)c1[O-]	ZINC000038176478	213205303	/nfs/dbraw/zinc/20/53/03/213205303.db2.gz	SAFPLQJKYOPING-FRKPEAEDSA-N	-1	0	326.139	4.053	40	30		EIEBRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\Cc3ccccc3C2=O)o1	ZINC000409368560	257872373	/nfs/dbraw/zinc/87/23/73/257872373.db2.gz	CBBZYQDGGVTQSE-WYMLVPIESA-N	-1	0	330.339	4.467	40	30		EIEBRM
COc1cccc(/C=N/c2ccccc2SC)c1O[C@H](C)C(=O)[O-]	ZINC000409238911	257873782	/nfs/dbraw/zinc/87/37/82/257873782.db2.gz	OIOUHDVHMQIGKA-ZGXHQARYSA-N	-1	0	345.420	4.020	40	30		EIEBRM
CCc1nnc(C2=C([O-])C(=CC=Cc3ccccc3)SC2=N)s1	ZINC000006024752	564129774	/nfs/dbraw/zinc/12/97/74/564129774.db2.gz	SKWDVMNGXOVYNO-BNFXKCNQSA-N	-1	0	341.461	4.075	40	30		EIEBRM
CCCCCC(=O)CC[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000027646200	564133634	/nfs/dbraw/zinc/13/36/34/564133634.db2.gz	GCYWVCQBMLYQGZ-BFVRRIQPSA-N	-1	0	334.456	4.489	40	30	in-vitro	EIEBRM
CCCCCCCCCCS(=O)(=O)N(C)CCCCCC(=O)[O-]	ZINC000100922042	219111792	/nfs/dbraw/zinc/11/17/92/219111792.db2.gz	VLAWKWUYVNAENI-UHFFFAOYSA-N	-1	0	349.537	4.034	40	30		EIEBRM
Cc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000005547898	210486533	/nfs/dbraw/zinc/48/65/33/210486533.db2.gz	PVMSJIGMFNXCIL-LZYBPNLTSA-N	-1	0	335.157	4.122	40	30		EIEBRM
COc1cccc(/C=N/c2ccc(C)c(Cl)c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409247020	257873243	/nfs/dbraw/zinc/87/32/43/257873243.db2.gz	FVWTUQHQRJOYKD-QDBSGRMGSA-N	-1	0	347.798	4.260	40	30		EIEBRM
COc1cccc(/C=N/c2cccc3ccccc32)c1O[C@H](C)C(=O)[O-]	ZINC000409235655	257873502	/nfs/dbraw/zinc/87/35/02/257873502.db2.gz	CRVVBUMELJXEGF-CYGNYLSHSA-N	-1	0	349.386	4.451	40	30		EIEBRM
CCCOc1ccccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000408604187	257894329	/nfs/dbraw/zinc/89/43/29/257894329.db2.gz	UFRLIMQXSZSKFG-YBFXNURJSA-N	-1	0	332.787	4.273	40	30		EIEBRM
COc1cc(C)c(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)cc1OC	ZINC000408548049	257897712	/nfs/dbraw/zinc/89/77/12/257897712.db2.gz	CJNNLGMTYBCQGY-OCKHKDLRSA-N	-1	0	333.771	4.114	40	30		EIEBRM
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C(=O)[O-])CC/C=C(\C)CC[C@H]12	ZINC000031165533	518657057	/nfs/dbraw/zinc/65/70/57/518657057.db2.gz	SORYERHBQFTRIK-XAVJKDHNSA-N	-1	0	330.424	4.342	40	30	biogenic,in-vitro	EIEBRM
CCOc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccc(C)cc1	ZINC000001261616	563382097	/nfs/dbraw/zinc/38/20/97/563382097.db2.gz	PAXBCTBMFWUHDH-UNOMPAQXSA-N	-1	0	338.436	4.197	40	30		EIEBRM
CCCCC[C@H](O)/C=C\[C@@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013537584	563700479	/nfs/dbraw/zinc/70/04/79/563700479.db2.gz	UQOQENZZLBSFKO-VMCADSPHSA-N	-1	0	334.456	4.056	40	30		EIEBRM
CCCCC[C@@](C)(O)/C=C/[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639064	563897941	/nfs/dbraw/zinc/89/79/41/563897941.db2.gz	UEBXYYKXJUBAJX-RBXXKYSDSA-N	-1	0	348.483	4.446	40	30	in-vitro	EIEBRM
Cc1ccc(/N=C\c2cccn2-c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000409102557	564009965	/nfs/dbraw/zinc/00/99/65/564009965.db2.gz	YPEJZKNTTDVFCI-NDENLUEZSA-N	-1	0	349.346	4.143	40	30		EIEBRM
Oc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000051376659	214092787	/nfs/dbraw/zinc/09/27/87/214092787.db2.gz	LZVRAPDGMBUQQD-NDENLUEZSA-N	-1	0	346.415	4.349	40	30		EIEBRM
C/C(=N\c1cccc(Cl)c1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101161052	219118036	/nfs/dbraw/zinc/11/80/36/219118036.db2.gz	ZCRPCINKVBEVQC-RGVLZGJSSA-N	-1	0	326.783	4.038	40	30		EIEBRM
COc1c2ccoc2cc([O-])c1C(=O)/C=C/c1ccc(N(C)C)cc1	ZINC000004235717	210147878	/nfs/dbraw/zinc/14/78/78/210147878.db2.gz	SEDZRELYWQNTEK-RMKNXTFCSA-N	-1	0	337.375	4.109	40	30		EIEBRM
CC(C)C1=C([O-])C2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2C(=O)C1=O	ZINC000068564926	215318204	/nfs/dbraw/zinc/31/82/04/215318204.db2.gz	SQVFZTKEIBMQQZ-AZUAARDMSA-N	-1	0	330.424	4.191	40	30		EIEBRM
CCCCCC(=O)CC[C@H]1C(=O)C=C[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027646207	212571135	/nfs/dbraw/zinc/57/11/35/212571135.db2.gz	GCYWVCQBMLYQGZ-LDHWIHMBSA-N	-1	0	334.456	4.489	40	30	in-vitro	EIEBRM
O=C([O-])c1nc(Cl)c(Cl)c(/N=C/c2ccccc2)c1Cl	ZINC000006222651	210601754	/nfs/dbraw/zinc/60/17/54/210601754.db2.gz	STLKIMSCXKAPTD-UBKPWBPPSA-N	-1	0	329.570	4.491	40	30		EIEBRM
Cc1ccc(/N=C\c2cccn2-c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000409252405	257873091	/nfs/dbraw/zinc/87/30/91/257873091.db2.gz	XRSMGKBQLWMELG-NDENLUEZSA-N	-1	0	349.346	4.143	40	30		EIEBRM
C#CCOc1ccc2ccccc2c1CNc1cccc(C(=O)[O-])c1	ZINC000408609264	257894156	/nfs/dbraw/zinc/89/41/56/257894156.db2.gz	MRPUTUKVGLYMHG-UHFFFAOYSA-N	-1	0	331.371	4.162	40	30		EIEBRM
O=C([O-])c1ccccc1/C=C/C(=O)c1ccc(Br)cc1	ZINC000016448941	563811639	/nfs/dbraw/zinc/81/16/39/563811639.db2.gz	BMDIJUSHNSXJFJ-JXMROGBWSA-N	-1	0	331.165	4.043	40	30		EIEBRM
Cc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c(C)n1-c1ccccc1	ZINC000408782383	564007252	/nfs/dbraw/zinc/00/72/52/564007252.db2.gz	HPPFGMYXWMVJDC-HYARGMPZSA-N	-1	0	332.403	4.411	40	30		EIEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N\c2ccccc2O)cc1	ZINC000408858391	564007653	/nfs/dbraw/zinc/00/76/53/564007653.db2.gz	RZBAKSSCUFTNNF-XKZIYDEJSA-N	-1	0	347.370	4.420	40	30		EIEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)c(C)n1-c1ccccn1	ZINC000409250860	564011324	/nfs/dbraw/zinc/01/13/24/564011324.db2.gz	OKKBBOXXTRUEDC-WSDLNYQXSA-N	-1	0	333.391	4.246	40	30		EIEBRM
[O-]/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1	ZINC000011864395	564018001	/nfs/dbraw/zinc/01/80/01/564018001.db2.gz	CAONHLWDINSYHA-CAOOACKPSA-N	-1	0	340.604	4.490	40	30		EIEBRM
CC(=NNc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1[O-]	ZINC000005504641	564032481	/nfs/dbraw/zinc/03/24/81/564032481.db2.gz	WOGXGFBMNAZTMU-CAOOACKPSA-N	-1	0	340.166	4.443	40	30		EIEBRM
O=C([O-])COc1ccc(/C=N/c2ccc3ncccc3c2)cc1Cl	ZINC000059301843	564050657	/nfs/dbraw/zinc/05/06/57/564050657.db2.gz	JOVHJBNXFBZQFO-UFFVCSGVSA-N	-1	0	340.766	4.102	40	30		EIEBRM
C[C@@H](Oc1ccc(/C=N/c2ccc(Br)cc2)cc1)C(=O)[O-]	ZINC000059678307	564050984	/nfs/dbraw/zinc/05/09/84/564050984.db2.gz	QCVAZQOOVCKTQC-VDCVXVNISA-N	-1	0	348.196	4.052	40	30		EIEBRM
CCCCCC=CC=C1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000005978026	564057398	/nfs/dbraw/zinc/05/73/98/564057398.db2.gz	QUGBPWLPAUHDTI-PLGLXCLHSA-N	-1	0	334.456	4.200	40	30	in-vitro	EIEBRM
O=[N+]([O-])c1cccc(C=Nc2ccc(N3CCCCC3)cc2)c1[O-]	ZINC000254657141	1050726044	/nfs/dbraw/zinc/72/60/44/1050726044.db2.gz	IKUQPEJOXFJBLK-UHFFFAOYSA-N	-1	0	325.368	4.041	40	30		EIEBRM
COc1cc(/C=N\c2ccc3ccccc3c2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409015573	257882430	/nfs/dbraw/zinc/88/24/30/257882430.db2.gz	RNKXMPVIZWJLHF-CRRPLPBISA-N	-1	0	349.386	4.451	40	30		EIEBRM
CCCCC[C@H](O)/C=C\[C@@H]1C(=O)C=C[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000100616128	520315313	/nfs/dbraw/zinc/31/53/13/520315313.db2.gz	UQOQENZZLBSFKO-CMANBLQGSA-N	-1	0	334.456	4.056	40	30		EIEBRM
Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2[O-])ccc1Br	ZINC000409072375	564009470	/nfs/dbraw/zinc/00/94/70/564009470.db2.gz	VFYHCAFRYJMHGB-LZYBPNLTSA-N	-1	0	335.157	4.122	40	30		EIEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccc(N3CCCCC3)cc2)c1	ZINC000016428170	563811025	/nfs/dbraw/zinc/81/10/25/563811025.db2.gz	ZCECQSRPLJFOOF-UYRXBGFRSA-N	-1	0	325.368	4.041	40	30		EIEBRM
CCCc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000016923577	563826032	/nfs/dbraw/zinc/82/60/32/563826032.db2.gz	MTRZNTTXCPDXFS-HEHNFIMWSA-N	-1	0	340.814	4.311	40	30		EIEBRM
N#CCCc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000014607833	564023612	/nfs/dbraw/zinc/02/36/12/564023612.db2.gz	TYYKXHNCPCONBU-UHFFFAOYSA-N	-1	0	346.415	4.311	40	30		EIEBRM
CSc1ccccc1/N=C/c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000059301845	564050659	/nfs/dbraw/zinc/05/06/59/564050659.db2.gz	BXEQQWILJNLQHZ-GIJQJNRQSA-N	-1	0	335.812	4.276	40	30		EIEBRM
CCCCC[C@](C)(O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000100013085	564075195	/nfs/dbraw/zinc/07/51/95/564075195.db2.gz	UEBXYYKXJUBAJX-FEDDIGFFSA-N	-1	0	348.483	4.446	40	30	in-vitro	EIEBRM
Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cccc(C(=O)[O-])c1C	ZINC000006266071	564129799	/nfs/dbraw/zinc/12/97/99/564129799.db2.gz	KNLZNGJUZFCEDH-WSDLNYQXSA-N	-1	0	340.398	4.492	40	30		EIEBRM
N=C1SC(=Cc2c[nH]c3ccccc23)C([O-])=C1c1nccs1	ZINC000033684110	564129892	/nfs/dbraw/zinc/12/98/92/564129892.db2.gz	GCAMYOFROJWUIN-ZJEQXIFMSA-N	-1	0	325.418	4.042	40	30		EIEBRM
CCCCCC(=O)CC[C@@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000100016289	219087945	/nfs/dbraw/zinc/08/79/45/219087945.db2.gz	GCYWVCQBMLYQGZ-AZTQUHGTSA-N	-1	0	334.456	4.489	40	30	in-vitro	EIEBRM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000028538025	212623617	/nfs/dbraw/zinc/62/36/17/212623617.db2.gz	BFVRFWIQTACAPT-KRWDZBQOSA-N	-1	0	343.508	4.029	40	30		EIEBRM
CC1=CC(C)(C)N(C)c2ccc(C=[NH+][N-]c3ccc(C(=O)[O-])cc3)cc21	ZINC000208437716	241067013	/nfs/dbraw/zinc/06/70/13/241067013.db2.gz	NESDLAAZEDTDFU-XKZIYDEJSA-N	-1	0	349.434	4.463	40	30		EIEBRM
COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)[O-]	ZINC000409216205	257874427	/nfs/dbraw/zinc/87/44/27/257874427.db2.gz	IRUPDVDHUXHQPP-AWQFTUOYSA-N	-1	0	347.798	4.179	40	30		EIEBRM
Cc1ccccc1C(C#N)=C([O-])C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000001614394	563396810	/nfs/dbraw/zinc/39/68/10/563396810.db2.gz	NVDFZCYNDNKJJY-CYBMUJFWSA-N	-1	0	347.201	4.117	40	30		EIEBRM
Cc1sc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])nc1-c1ccccc1	ZINC000016696101	563821118	/nfs/dbraw/zinc/82/11/18/563821118.db2.gz	UIKRRDIPHXPAPJ-ZDLGFXPLSA-N	-1	0	339.376	4.483	40	30		EIEBRM
COc1ccc(/N=C\c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cn1	ZINC000408851616	564007567	/nfs/dbraw/zinc/00/75/67/564007567.db2.gz	DJKJRPZAWBYHFE-JAIQZWGSSA-N	-1	0	336.347	4.107	40	30		EIEBRM
Cc1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)cc1C(=O)[O-]	ZINC000408856203	564007706	/nfs/dbraw/zinc/00/77/06/564007706.db2.gz	JLUUJXYTLSSDPS-FBHDLOMBSA-N	-1	0	349.342	4.433	40	30		EIEBRM
O=C([O-])c1ccc(COc2c(Cl)cc(/C=N/O)cc2Cl)cc1	ZINC000409064404	564009360	/nfs/dbraw/zinc/00/93/60/564009360.db2.gz	CSVMLOCQEIVVHD-CNHKJKLMSA-N	-1	0	340.162	4.079	40	30		EIEBRM
CCOc1ccccc1/N=C\c1cccn1-c1cccc(C(=O)[O-])c1	ZINC000409107962	564010150	/nfs/dbraw/zinc/01/01/50/564010150.db2.gz	ZABWGIRXKLSKPK-STZFKDTASA-N	-1	0	334.375	4.325	40	30		EIEBRM
O=C([O-])c1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)cc1	ZINC000409369171	564011891	/nfs/dbraw/zinc/01/18/91/564011891.db2.gz	GHMDXWNJGBQRIJ-FOWTUZBSSA-N	-1	0	330.339	4.467	40	30		EIEBRM
CCOc1cc(/C=N/c2cccc(Cl)c2C)cc([N+](=O)[O-])c1[O-]	ZINC000006959018	564126371	/nfs/dbraw/zinc/12/63/71/564126371.db2.gz	LEQJDFDCIUUKTJ-GIJQJNRQSA-N	-1	0	334.759	4.412	40	30		EIEBRM
C=CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000033385469	564129883	/nfs/dbraw/zinc/12/98/83/564129883.db2.gz	AFMUNZGCGBSLOX-GETRYHMISA-N	-1	0	342.445	4.126	40	30		EIEBRM
Cc1cccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000098064187	219075869	/nfs/dbraw/zinc/07/58/69/219075869.db2.gz	PVMSJIGMFNXCIL-PXNMLYILSA-N	-1	0	335.157	4.122	40	30		EIEBRM
CCCCCCCCCCCCCCS(=O)(=O)NCCC(=O)[O-]	ZINC000100922017	219111590	/nfs/dbraw/zinc/11/15/90/219111590.db2.gz	QVWJDXSUTUZVNA-UHFFFAOYSA-N	-1	0	349.537	4.082	40	30		EIEBRM
CCn1c(=O)c(/C=N/c2ccccc2Cl)c([O-])c2ccccc21	ZINC000103461973	219302997	/nfs/dbraw/zinc/30/29/97/219302997.db2.gz	FJAYMPJOTAJOAE-RGVLZGJSSA-N	-1	0	326.783	4.131	40	30		EIEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1nonc1-c1ccccc1	ZINC000005490369	210474910	/nfs/dbraw/zinc/47/49/10/210474910.db2.gz	ZWZCHPAIIFWZSA-QGMBQPNBSA-N	-1	0	334.162	4.500	40	30		EIEBRM
C=CCn1c(-c2ccccc2)csc1=Nc1cccc(C(=O)[O-])c1	ZINC000004866811	210307286	/nfs/dbraw/zinc/30/72/86/210307286.db2.gz	ZYKBTLRGDYIPLM-UHFFFAOYSA-O	-1	0	337.424	4.330	40	30		EIEBRM
C=CCOc1c(Cl)cc(CNc2cccc(C(=O)[O-])c2)cc1OC	ZINC000408602928	257894715	/nfs/dbraw/zinc/89/47/15/257894715.db2.gz	BNCOJKOIQBLGDU-UHFFFAOYSA-N	-1	0	347.798	4.224	40	30		EIEBRM
CCc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000005686810	563545498	/nfs/dbraw/zinc/54/54/98/563545498.db2.gz	WZLKUIICMAVDQO-RQZCQDPDSA-N	-1	0	349.184	4.376	40	30		EIEBRM
CCCCC[C@H](O)/C=C\[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013521575	563700398	/nfs/dbraw/zinc/70/03/98/563700398.db2.gz	MYHXHCUNDDAEOZ-QSKZXMGCSA-N	-1	0	334.456	4.056	40	30		EIEBRM
CCCCCCCC[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)[O-]	ZINC000064858050	563957198	/nfs/dbraw/zinc/95/71/98/563957198.db2.gz	NGTXCORNXNELNU-HSWWGKEZSA-N	-1	0	338.488	4.382	40	30	in-vitro	EIEBRM
O=C([O-])c1cc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)ccc1Cl	ZINC000409103986	564009793	/nfs/dbraw/zinc/00/97/93/564009793.db2.gz	XVIPSWAXQJKOKX-IDUWFGFVSA-N	-1	0	339.134	4.350	40	30		EIEBRM
Cc1ccc(C(=O)[O-])cc1/N=C/c1ccc(N2CCCC2)c(F)c1	ZINC000409102415	564009942	/nfs/dbraw/zinc/00/99/42/564009942.db2.gz	ZKXBWMWAQFTCMF-CIAFOILYSA-N	-1	0	326.371	4.183	40	30		EIEBRM
Cc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000409108945	564010205	/nfs/dbraw/zinc/01/02/05/564010205.db2.gz	ZQUZQYVYAIYGPW-LZYBPNLTSA-N	-1	0	335.157	4.122	40	30		EIEBRM
COc1cccc(/C=N\c2ccc3ccccc3c2)c1O[C@H](C)C(=O)[O-]	ZINC000409238596	564011229	/nfs/dbraw/zinc/01/12/29/564011229.db2.gz	KLDKERMMAYQNAJ-BXSODOALSA-N	-1	0	349.386	4.451	40	30		EIEBRM
COc1ccc(OC)c(/C=C/C(=O)c2cc(Cl)c(C)cc2[O-])c1	ZINC000048057020	564029908	/nfs/dbraw/zinc/02/99/08/564029908.db2.gz	QLENLAFIMABLCC-GQCTYLIASA-N	-1	0	332.783	4.267	40	30		EIEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O	ZINC000095912696	564141905	/nfs/dbraw/zinc/14/19/05/564141905.db2.gz	FHQSDRHZGCMBKG-GIYDNNGJSA-N	-1	0	332.440	4.113	40	30	biogenic,in-vitro	EIEBRM
Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2[O-])c(O)c1	ZINC000003115515	564155219	/nfs/dbraw/zinc/15/52/19/564155219.db2.gz	WUVOJFUZOALKBD-CNHKJKLMSA-N	-1	0	334.759	4.335	40	30		EIEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(Cl)c3cccnc23)c1	ZINC000003122814	209966900	/nfs/dbraw/zinc/96/69/00/209966900.db2.gz	SMIHUVQXPFKXJE-DJKKODMXSA-N	-1	0	327.727	4.253	40	30		EIEBRM
Cc1cc(Br)c([O-])c(/C=N/c2ccccc2[N+](=O)[O-])c1	ZINC000008300575	563625853	/nfs/dbraw/zinc/62/58/53/563625853.db2.gz	MCYYAHLHUXOOEC-LZYBPNLTSA-N	-1	0	335.157	4.122	40	30		EIEBRM
CC/C=C\C[C@@H](O)/C=C/C1=C(C/C=C\CCCC(=O)[O-])C(=O)CC1	ZINC000014500777	563760126	/nfs/dbraw/zinc/76/01/26/563760126.db2.gz	DQRGQQAJYRBDRP-VRGRKWPPSA-N	-1	0	332.440	4.121	40	30	in-vitro	EIEBRM
O=c1oc2ccccc2c([O-])c1C=Nc1cc(Cl)cc(Cl)c1	ZINC000016524230	563814064	/nfs/dbraw/zinc/81/40/64/563814064.db2.gz	CPSWJLKUKMPRKV-MDWZMJQESA-N	-1	0	334.158	4.091	40	30		EIEBRM
Cc1sc(N=Cc2cc([N+](=O)[O-])ccc2[O-])nc1-c1ccccc1	ZINC000245229318	563950328	/nfs/dbraw/zinc/95/03/28/563950328.db2.gz	UIKRRDIPHXPAPJ-UHFFFAOYSA-N	-1	0	339.376	4.483	40	30		EIEBRM
N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccccc1)CCCCCC2	ZINC000005392778	564003575	/nfs/dbraw/zinc/00/35/75/564003575.db2.gz	SKPUMUKXIICKAF-UHFFFAOYSA-N	-1	0	346.477	4.080	40	30		EIEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=N/c2ccc3c(c2)OCO3)o1	ZINC000408910924	564007994	/nfs/dbraw/zinc/00/79/94/564007994.db2.gz	MAFWOUDUIXMZHP-UFFVCSGVSA-N	-1	0	349.342	4.433	40	30		EIEBRM
COc1ccc(/N=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cn1	ZINC000408962096	564008362	/nfs/dbraw/zinc/00/83/62/564008362.db2.gz	PVCMPODMUGULHW-JAIQZWGSSA-N	-1	0	336.347	4.107	40	30		EIEBRM
COc1cc(/C=N\c2ccc3ccccc3c2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409015569	564008989	/nfs/dbraw/zinc/00/89/89/564008989.db2.gz	RNKXMPVIZWJLHF-BXSODOALSA-N	-1	0	349.386	4.451	40	30		EIEBRM
Cc1oc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c(C#N)c1C	ZINC000409087442	564009670	/nfs/dbraw/zinc/00/96/70/564009670.db2.gz	YSNNHDHOKJYJQW-UFFVCSGVSA-N	-1	0	334.331	4.477	40	30		EIEBRM
CC(C)OC(=O)COc1ccc(/C=N/c2ccccc2[S-])cc1	ZINC000409188357	564010821	/nfs/dbraw/zinc/01/08/21/564010821.db2.gz	YLDPNGJXAPXAPN-YBFXNURJSA-N	-1	0	329.421	4.056	40	30		EIEBRM
COc1ccccc1C=CC=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000005895989	564033051	/nfs/dbraw/zinc/03/30/51/564033051.db2.gz	FLKMCUZITYTFMU-PGRWIBNWSA-N	-1	0	336.420	4.164	40	30		EIEBRM
CC/N=C1\S/C(=C\c2cc(Cl)cc(Cl)c2[O-])C(=O)N1CC	ZINC000059104716	564050443	/nfs/dbraw/zinc/05/04/43/564050443.db2.gz	SEOHVPCKQGSMHE-AJEADFGNSA-N	-1	0	345.251	4.011	40	30		EIEBRM
CCCCC[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000013533044	564073918	/nfs/dbraw/zinc/07/39/18/564073918.db2.gz	TUXFWOHFPFBNEJ-NPDWOVDUSA-N	-1	0	334.456	4.200	40	30	in-vitro	EIEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1cc(F)c(N2CCCC2)cc1C	ZINC000105728378	564129968	/nfs/dbraw/zinc/12/99/68/564129968.db2.gz	UCEIFJOASYDPEN-UUYOSTAYSA-N	-1	0	340.398	4.492	40	30		EIEBRM
C=CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000137762291	564130041	/nfs/dbraw/zinc/13/00/41/564130041.db2.gz	AFMUNZGCGBSLOX-SWSUDDKPSA-N	-1	0	342.445	4.126	40	30		EIEBRM
C/C(=N\N(C)c1cc(C)nc(-c2ccccc2[O-])n1)c1ccccc1	ZINC000004697421	210250242	/nfs/dbraw/zinc/25/02/42/210250242.db2.gz	BVQNQXUTGWFFRF-HZHRSRAPSA-N	-1	0	332.407	4.018	40	30		EIEBRM
O=[N+]([O-])c1cc2oc3c(c2c(/C=N\c2ccccn2)c1[O-])CCCC3	ZINC000100455813	219099878	/nfs/dbraw/zinc/09/98/78/219099878.db2.gz	GQILUKOQIXISMJ-JMIUGGIZSA-N	-1	0	337.335	4.071	40	30		EIEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2N2CCCC2)c1[O-]	ZINC000006615558	210664858	/nfs/dbraw/zinc/66/48/58/210664858.db2.gz	WAKFQRCVKLKPNR-YBFXNURJSA-N	-1	0	345.786	4.305	40	30		EIEBRM
C=CCc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)cc(OCC)c1O	ZINC000059248197	257851047	/nfs/dbraw/zinc/85/10/47/257851047.db2.gz	CWCPBYFPUJITBO-CIAFOILYSA-N	-1	0	339.391	4.277	40	30		EIEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Br)cc2)c1[O-]	ZINC000016269530	563807412	/nfs/dbraw/zinc/80/74/12/563807412.db2.gz	IWOLSDRHPVGKOF-LZYBPNLTSA-N	-1	0	335.157	4.122	40	30		EIEBRM
CCOc1ccccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000001240570	563381040	/nfs/dbraw/zinc/38/10/40/563381040.db2.gz	WDUWGGFQTQDKIU-PDGQHHTCSA-N	-1	0	330.457	4.269	40	30		EIEBRM
COc1cc(C)c(/C=N/c2cc(C(=O)[O-])ccc2Cl)cc1OC	ZINC000408548044	563447002	/nfs/dbraw/zinc/44/70/02/563447002.db2.gz	CINJDDBZULHYTL-DJKKODMXSA-N	-1	0	333.771	4.114	40	30		EIEBRM
O=C([O-])C[C@H](NC(=S)Nc1ccccc1)c1ccc(Cl)cc1	ZINC000005934352	563554693	/nfs/dbraw/zinc/55/46/93/563554693.db2.gz	STNXPTGJAVYEPR-AWEZNQCLSA-N	-1	0	334.828	4.254	40	30		EIEBRM
C[C@@H](Oc1ccc(/C=N\c2ccccc2Br)cc1)C(=O)[O-]	ZINC000408848163	564007569	/nfs/dbraw/zinc/00/75/69/564007569.db2.gz	QJFCJNVVBMFZOE-IPHDDYSGSA-N	-1	0	348.196	4.052	40	30		EIEBRM
O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(N3CCCC3)cc2)c1	ZINC000408959759	564008265	/nfs/dbraw/zinc/00/82/65/564008265.db2.gz	FIILPACNGVCBFD-UDWIEESQSA-N	-1	0	328.799	4.389	40	30		EIEBRM
COc1cc(/C=N/c2cccc3ccccc32)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409010436	564008878	/nfs/dbraw/zinc/00/88/78/564008878.db2.gz	DXLIUHUFCYFBDW-KOUDTOEKSA-N	-1	0	349.386	4.451	40	30		EIEBRM
Cc1oc(/N=C/c2ccc(-c3ccccc3C(=O)[O-])o2)c(C#N)c1C	ZINC000409092305	564009590	/nfs/dbraw/zinc/00/95/90/564009590.db2.gz	TZYYPQZOBSLMSJ-UFFVCSGVSA-N	-1	0	334.331	4.477	40	30		EIEBRM
Cc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)c(C)n1-c1ccccn1	ZINC000409240924	564011268	/nfs/dbraw/zinc/01/12/68/564011268.db2.gz	VLEUIQMZDWKWQP-UUYOSTAYSA-N	-1	0	333.391	4.246	40	30		EIEBRM
COc1cccc(/C=N/c2ccc(C)c(Cl)c2)c1O[C@H](C)C(=O)[O-]	ZINC000409247018	564011341	/nfs/dbraw/zinc/01/13/41/564011341.db2.gz	FVWTUQHQRJOYKD-HMASQMOLSA-N	-1	0	347.798	4.260	40	30		EIEBRM
N#Cc1c(=O)c2ccccc2[n-]c1-c1ccc(Br)cc1	ZINC000011919436	564077067	/nfs/dbraw/zinc/07/70/67/564077067.db2.gz	FTGYYMGZDRKAQQ-UHFFFAOYSA-N	-1	0	325.165	4.242	40	30		EIEBRM
Cc1ccc(N=Cc2ccc(-c3ccc(S(=O)(=O)[O-])cc3)o2)cc1	ZINC000245228106	564124114	/nfs/dbraw/zinc/12/41/14/564124114.db2.gz	DPMUIXIOXJTWOH-UHFFFAOYSA-N	-1	0	341.388	4.252	40	30		EIEBRM
CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc([N+](=O)[O-])c1[O-]	ZINC000006958984	564126362	/nfs/dbraw/zinc/12/63/62/564126362.db2.gz	XUYWJOVQEPFPHY-GIJQJNRQSA-N	-1	0	334.759	4.412	40	30		EIEBRM
Cc1ccc(C)c(/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000098064188	219075804	/nfs/dbraw/zinc/07/58/04/219075804.db2.gz	BLZFKWOUINXYAK-IUXPMGMMSA-N	-1	0	349.184	4.430	40	30		EIEBRM
CC[C@@H](C)/N=C(\C)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370484	219097373	/nfs/dbraw/zinc/09/73/73/219097373.db2.gz	UCXVWNRHOYZZFK-CVZTXRPJSA-N	-1	0	334.419	4.304	40	30		EIEBRM
CCn1c(=O)c(/C=N/c2ccc(Cl)cc2)c([O-])c2ccccc21	ZINC000103461959	219303441	/nfs/dbraw/zinc/30/34/41/219303441.db2.gz	NVOBKBZYSBMASG-RGVLZGJSSA-N	-1	0	326.783	4.131	40	30		EIEBRM
O=C([O-])c1cccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)c1	ZINC000015227512	211809721	/nfs/dbraw/zinc/80/97/21/211809721.db2.gz	YCUXWIXYKTWRRU-JMIUGGIZSA-N	-1	0	335.315	4.124	40	30		EIEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N\c2cccc(O)c2)cc1	ZINC000408961992	257885362	/nfs/dbraw/zinc/88/53/62/257885362.db2.gz	WPYQXBPANUTKJN-XKZIYDEJSA-N	-1	0	347.370	4.420	40	30		EIEBRM
Cc1ccc(O)c(/C(CSc2nc3ccccc3s2)=N/[O-])c1	ZINC000005541889	525331263	/nfs/dbraw/zinc/33/12/63/525331263.db2.gz	LCHKMDBXRLMJBH-QGOAFFKASA-N	-1	0	330.434	4.281	40	30		EIEBRM
Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])c(Br)c1	ZINC000033246226	564050110	/nfs/dbraw/zinc/05/01/10/564050110.db2.gz	FZDCMMPDFGXGHN-PXNMLYILSA-N	-1	0	335.157	4.122	40	30		EIEBRM
O=C([O-])C[C@@H](NC(=S)Nc1ccccc1)c1ccc(Cl)cc1	ZINC000005934355	563554740	/nfs/dbraw/zinc/55/47/40/563554740.db2.gz	STNXPTGJAVYEPR-CQSZACIVSA-N	-1	0	334.828	4.254	40	30		EIEBRM
Cc1ccccc1C(C#N)=C([O-])C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000006491590	563569902	/nfs/dbraw/zinc/56/99/02/563569902.db2.gz	NVDFZCYNDNKJJY-ZDUSSCGKSA-N	-1	0	347.201	4.117	40	30		EIEBRM
CCCCCCCCCCCC1=C([O-])C(OC(C)=O)=CC(=O)C1=O	ZINC000008382372	563628361	/nfs/dbraw/zinc/62/83/61/563628361.db2.gz	WVPYXPCOBXYDAL-UHFFFAOYSA-N	-1	0	336.428	4.318	40	30	biogenic,in-vitro	EIEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc3c(c2)OCO3)o1	ZINC000408913077	564007947	/nfs/dbraw/zinc/00/79/47/564007947.db2.gz	SJLGLSWLUXRQRE-UFFVCSGVSA-N	-1	0	349.342	4.433	40	30		EIEBRM
COc1ccc(-n2cccc2/C=N/c2cccc(C(=O)[O-])c2C)cc1	ZINC000408950465	564008191	/nfs/dbraw/zinc/00/81/91/564008191.db2.gz	FFVREMHLRSOING-FYJGNVAPSA-N	-1	0	334.375	4.243	40	30		EIEBRM
COc1cccc(/C=N/c2cc(Cl)ccc2C)c1O[C@H](C)C(=O)[O-]	ZINC000409229728	564011219	/nfs/dbraw/zinc/01/12/19/564011219.db2.gz	UGBOAQPCQNOVNX-HMASQMOLSA-N	-1	0	347.798	4.260	40	30		EIEBRM
COc1cccc(/C=N/c2cccc(Cl)c2C)c1O[C@H](C)C(=O)[O-]	ZINC000409231774	564011257	/nfs/dbraw/zinc/01/12/57/564011257.db2.gz	KNQSSQDFTCXMBE-HMASQMOLSA-N	-1	0	347.798	4.260	40	30		EIEBRM
CCc1nnc(C2=C([O-])C(=CC=Cc3ccccc3)SC2=N)s1	ZINC000409337024	564011811	/nfs/dbraw/zinc/01/18/11/564011811.db2.gz	SKWDVMNGXOVYNO-YFQKUQGVSA-N	-1	0	341.461	4.075	40	30		EIEBRM
C=C1CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@H]1CCC1=CCOC1=O	ZINC000014486553	564023464	/nfs/dbraw/zinc/02/34/64/564023464.db2.gz	FHQSDRHZGCMBKG-LNKGRISISA-N	-1	0	332.440	4.113	40	30	biogenic,in-vitro	EIEBRM
CC(C)Oc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1	ZINC000033648949	564050247	/nfs/dbraw/zinc/05/02/47/564050247.db2.gz	KEILCPJIPLPBCW-CQCSDLFSSA-N	-1	0	344.461	4.348	40	30		EIEBRM
CCCCCC=CC=C1C(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000064857718	214810469	/nfs/dbraw/zinc/81/04/69/214810469.db2.gz	QUGBPWLPAUHDTI-QUWOEMCXSA-N	-1	0	334.456	4.200	40	30	in-vitro	EIEBRM
[O-]/N=C/c1ccc(-c2ccc(Br)cc2Br)o1	ZINC000020154460	212107614	/nfs/dbraw/zinc/10/76/14/212107614.db2.gz	VDPOPNUHLKSMSH-MKMNVTDBSA-N	-1	0	344.990	4.280	40	30		EIEBRM
Cc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000005548991	210485972	/nfs/dbraw/zinc/48/59/72/210485972.db2.gz	JRWAHLXTWUNKFW-LZYBPNLTSA-N	-1	0	335.157	4.122	40	30		EIEBRM
COc1cccc(/C=N/c2ccccc2SC)c1O[C@@H](C)C(=O)[O-]	ZINC000409238910	257873703	/nfs/dbraw/zinc/87/37/03/257873703.db2.gz	OIOUHDVHMQIGKA-MKFNJMOCSA-N	-1	0	345.420	4.020	40	30		EIEBRM
CN(C)c1oc(/C=N/c2ccccc2[S-])cc1Br	ZINC000059105134	257851093	/nfs/dbraw/zinc/85/10/93/257851093.db2.gz	LTIAHTGVTATCOC-OVCLIPMQSA-N	-1	0	325.231	4.147	40	30		EIEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(Cl)cc3)SC2=N)s1	ZINC000137096068	564000228	/nfs/dbraw/zinc/00/02/28/564000228.db2.gz	YOVYMTKQMXOZJM-LNYDFZRASA-N	-1	0	349.868	4.172	40	30		EIEBRM
C=CCc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)cc(OCC)c1O	ZINC000408806623	564007319	/nfs/dbraw/zinc/00/73/19/564007319.db2.gz	AMOCLPZSQNXPPY-MTJSOVHGSA-N	-1	0	339.391	4.277	40	30		EIEBRM
Cc1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000408935812	564008146	/nfs/dbraw/zinc/00/81/46/564008146.db2.gz	NWLCVHIAXCJLGF-UDWIEESQSA-N	-1	0	349.346	4.143	40	30		EIEBRM
O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000409089162	564009716	/nfs/dbraw/zinc/00/97/16/564009716.db2.gz	HMVLKOICFSAUCP-WDZFZDKYSA-N	-1	0	334.158	4.044	40	30		EIEBRM
Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409214502	564011137	/nfs/dbraw/zinc/01/11/37/564011137.db2.gz	XVXCYHMYRIIRQF-MTJSOVHGSA-N	-1	0	334.375	4.249	40	30		EIEBRM
Cc1ccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])c(C)c1	ZINC000113856204	564019738	/nfs/dbraw/zinc/01/97/38/564019738.db2.gz	UUSKZPGYDWOXNN-IUXPMGMMSA-N	-1	0	349.184	4.430	40	30		EIEBRM
CC(=N\c1ccc(C)c(Cl)c1)/C(=N\[O-])C(=O)Nc1ccccc1	ZINC000045920354	564091047	/nfs/dbraw/zinc/09/10/47/564091047.db2.gz	LAYXZMXNAJFYNR-FHCHWCQOSA-N	-1	0	329.787	4.210	40	30		EIEBRM
COc1ccc([C@H](C)/N=C/c2cc(Br)ccc2O)cc1	ZINC000057412003	1046244457	/nfs/dbraw/zinc/24/44/57/1046244457.db2.gz	HZPFYHSKQOETIF-HPAYWCODSA-N	-1	0	334.213	4.343	40	30		EIEBRM
COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1O[C@H](C)C(=O)[O-]	ZINC000409011998	257882781	/nfs/dbraw/zinc/88/27/81/257882781.db2.gz	IIVWHJHPZSUXTD-HMASQMOLSA-N	-1	0	347.798	4.260	40	30		EIEBRM
Cc1cc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)ccc1Br	ZINC000408904702	564007911	/nfs/dbraw/zinc/00/79/11/564007911.db2.gz	NHLXDBYLCSCGRI-LZYBPNLTSA-N	-1	0	335.157	4.122	40	30		EIEBRM
COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409012000	564008898	/nfs/dbraw/zinc/00/88/98/564008898.db2.gz	IIVWHJHPZSUXTD-QDBSGRMGSA-N	-1	0	347.798	4.260	40	30		EIEBRM
Cc1cccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])c1	ZINC000409071479	564009478	/nfs/dbraw/zinc/00/94/78/564009478.db2.gz	OWAWVDPZONKJLM-PXNMLYILSA-N	-1	0	335.157	4.122	40	30		EIEBRM
Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1cccc(C(=O)[O-])c1	ZINC000409096328	564009848	/nfs/dbraw/zinc/00/98/48/564009848.db2.gz	KSMVJNMQKSFGMP-UDWIEESQSA-N	-1	0	349.346	4.143	40	30		EIEBRM
CCOc1ccccc1/N=C\c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000409230278	564011262	/nfs/dbraw/zinc/01/12/62/564011262.db2.gz	CXAAKHBVQLIMKU-STZFKDTASA-N	-1	0	334.375	4.325	40	30		EIEBRM
O=C([O-])c1cc(/N=C\c2cccn2-c2ccc(Cl)cc2)ccc1O	ZINC000015227479	564024109	/nfs/dbraw/zinc/02/41/09/564024109.db2.gz	KCDMRKSZALHZEL-JAIQZWGSSA-N	-1	0	340.766	4.285	40	30		EIEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccccc3Cl)SC2=N)s1	ZINC000136340897	564034895	/nfs/dbraw/zinc/03/48/95/564034895.db2.gz	XONGZHNMCBUWMT-LNYDFZRASA-N	-1	0	349.868	4.172	40	30		EIEBRM
C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@H]1CCC1=CCOC1=O	ZINC000253388249	564130381	/nfs/dbraw/zinc/13/03/81/564130381.db2.gz	FHQSDRHZGCMBKG-CPLUKWAASA-N	-1	0	332.440	4.113	40	30	biogenic,in-vitro	EIEBRM
CCCCC[C@@H](O)C/C=C1/C(=O)C=C[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000100015769	219088018	/nfs/dbraw/zinc/08/80/18/219088018.db2.gz	TUXFWOHFPFBNEJ-NRAXJCMJSA-N	-1	0	334.456	4.200	40	30	in-vitro	EIEBRM
CCn1c(=O)c(/C=N/c2cccc(Cl)c2)c([O-])c2ccccc21	ZINC000103461945	219303199	/nfs/dbraw/zinc/30/31/99/219303199.db2.gz	QILZQPVYOADOPJ-RGVLZGJSSA-N	-1	0	326.783	4.131	40	30		EIEBRM
CC(C)C1=C([O-])C2=CC(=O)[C@@H]3C(C)(C)CCC[C@]3(C)C2C(=O)C1=O	ZINC000068564927	215319097	/nfs/dbraw/zinc/31/90/97/215319097.db2.gz	SQVFZTKEIBMQQZ-UYAOXDASSA-N	-1	0	330.424	4.191	40	30		EIEBRM
CCN(CC)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000059248235	257850366	/nfs/dbraw/zinc/85/03/66/257850366.db2.gz	YAWWUWLVWPIEIF-HBBMIWKISA-N	-1	0	340.423	4.135	40	30		EIEBRM
Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c(C)n1-c1ccccc1	ZINC000408784789	564007272	/nfs/dbraw/zinc/00/72/72/564007272.db2.gz	VCDRNLMJCHJBRU-UDWIEESQSA-N	-1	0	335.363	4.459	40	30		EIEBRM
O=[N+]([O-])c1ccc([O-])c(/N=C/c2cccn2-c2ccc(Cl)cc2)c1	ZINC000408851243	564007655	/nfs/dbraw/zinc/00/76/55/564007655.db2.gz	APDZVLCEHCZCCC-YBFXNURJSA-N	-1	0	341.754	4.495	40	30		EIEBRM
COC(=O)c1ccc(-c2ccc(/C=N/c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000408915471	564008010	/nfs/dbraw/zinc/00/80/10/564008010.db2.gz	VUPSVLDYBQKKOB-CIAFOILYSA-N	-1	0	349.342	4.182	40	30		EIEBRM
[O-]/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	ZINC000100983567	564012969	/nfs/dbraw/zinc/01/29/69/564012969.db2.gz	MEBYLZPYRYPLRX-CAOOACKPSA-N	-1	0	340.604	4.490	40	30		EIEBRM
CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000027642627	564133635	/nfs/dbraw/zinc/13/36/35/564133635.db2.gz	UQOQENZZLBSFKO-ZGCAFGAXSA-N	-1	0	334.456	4.056	40	30	in-vitro	EIEBRM
C=C1C(=O)O[C@H]2C=C(C)CCC=C(C(=O)[O-])CCC=C(C)CC[C@@H]12	ZINC000299807742	1023891984	/nfs/dbraw/zinc/89/19/84/1023891984.db2.gz	SORYERHBQFTRIK-ROUUACIJSA-N	-1	0	330.424	4.342	40	30	biogenic,in-vitro	EIEBRM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1C	ZINC000113856221	257859319	/nfs/dbraw/zinc/85/93/19/257859319.db2.gz	IESYLALOFVTCGM-CAOOACKPSA-N	-1	0	349.184	4.430	40	30		EIEBRM
Cc1cc(C)c(Sc2nnc([N-][NH+]=Cc3ccccc3)[n-]2)c(C)c1	ZINC000020344493	524327269	/nfs/dbraw/zinc/32/72/69/524327269.db2.gz	MSPXKFCMBTUKQC-YBFXNURJSA-N	-1	0	337.452	4.327	40	30		EIEBRM
CCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000006050632	563558242	/nfs/dbraw/zinc/55/82/42/563558242.db2.gz	ITRQKTUOLSWNDK-GIJQJNRQSA-N	-1	0	347.758	4.053	40	30		EIEBRM
O=C([O-])c1ccc(C=NNc2ccnc3cc(Cl)ccc32)cc1	ZINC000007949630	564006892	/nfs/dbraw/zinc/00/68/92/564006892.db2.gz	XFWHSKTZLBZSOC-KEBDBYFISA-N	-1	0	325.755	4.032	40	30		EIEBRM
Cc1ccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)c(Br)c1	ZINC000408965236	564008380	/nfs/dbraw/zinc/00/83/80/564008380.db2.gz	UWAIIKOBKSDMIT-PXNMLYILSA-N	-1	0	335.157	4.122	40	30		EIEBRM
O=C([O-])c1ccc(C/N=C/c2cccn2-c2ccc(Cl)cc2)cc1	ZINC000033293989	564050136	/nfs/dbraw/zinc/05/01/36/564050136.db2.gz	JBEBRIBWUIYCCN-FYJGNVAPSA-N	-1	0	338.794	4.448	40	30		EIEBRM
CCCCOc1ccc(/C=N\c2cccc(C(=O)[O-])c2)cc1OC	ZINC000035155156	520855776	/nfs/dbraw/zinc/85/57/76/520855776.db2.gz	JEZLYDCXCOGUBU-MOSHPQCFSA-N	-1	0	327.380	4.323	40	30		EIEBRM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000113856405	564019742	/nfs/dbraw/zinc/01/97/42/564019742.db2.gz	HOYITHWLMYGFPE-LZYBPNLTSA-N	-1	0	335.157	4.122	40	30		EIEBRM
NC(=S)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000000569417	563348747	/nfs/dbraw/zinc/34/87/47/563348747.db2.gz	KECUDPBFJPKABX-CNHKJKLMSA-N	-1	0	340.235	4.105	40	30		EIEBRM
CCOc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000001245765	563381337	/nfs/dbraw/zinc/38/13/37/563381337.db2.gz	YHYDTWDUSXRFQC-PDGQHHTCSA-N	-1	0	330.457	4.269	40	30		EIEBRM
Cc1[nH]c2ccccc2c1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000137030710	564000194	/nfs/dbraw/zinc/00/01/94/564000194.db2.gz	NWYPZMWERBAODU-IXINVZQISA-N	-1	0	339.445	4.351	40	30		EIEBRM
O=C([O-])c1cc(/N=C\c2ccc(N3CCCC3)cc2)ccc1Cl	ZINC000408961349	564008307	/nfs/dbraw/zinc/00/83/07/564008307.db2.gz	RUZMUDHXCSOSTD-NDENLUEZSA-N	-1	0	328.799	4.389	40	30		EIEBRM
O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000409066886	564009366	/nfs/dbraw/zinc/00/93/66/564009366.db2.gz	MXLCDAKAFQXWDT-REZTVBANSA-N	-1	0	339.134	4.350	40	30		EIEBRM
Cc1ccc(/N=C\c2cccc([N+](=O)[O-])c2[O-])c(Br)c1	ZINC000409107532	564010174	/nfs/dbraw/zinc/01/01/74/564010174.db2.gz	RVYHADDMJRHQOK-PXNMLYILSA-N	-1	0	335.157	4.122	40	30		EIEBRM
CCCCC(=O)Nc1cccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000006396842	564129835	/nfs/dbraw/zinc/12/98/35/564129835.db2.gz	KSUYSHALIVMOFJ-XDHOZWIPSA-N	-1	0	341.367	4.180	40	30		EIEBRM