smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cccc(C(=O)[O-])c4)c3=O)n2)cc1	ZINC000012371034	523168360	/nfs/dbraw/zinc/16/83/60/523168360.db2.gz	TYSQGXNXCSFZGS-FAJYDZGRSA-N	-2	0	497.536	4.736	40	30		JJEBRL
Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408844100	570054236	/nfs/dbraw/zinc/05/42/36/570054236.db2.gz	BWVQBJRYGNNFKP-KSEXSDGBSA-N	-2	0	488.281	4.846	40	30		JJEBRL
O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)SC2=Nc2ccccc2)cc1	ZINC000408962337	570086398	/nfs/dbraw/zinc/08/63/98/570086398.db2.gz	HOCBVQFEORAXNG-RNUJJHFSSA-N	-2	0	475.482	4.803	40	30		JJEBRL
Cc1c(/N=C/c2cc(Br)cc(I)c2[O-])cccc1C(=O)[O-]	ZINC000409107107	570130708	/nfs/dbraw/zinc/13/07/08/570130708.db2.gz	UWSUDFKERIAPOR-CNHKJKLMSA-N	-2	0	460.065	4.517	40	30		JJEBRL
CCOc1ccc(C(=O)[O-])cc1C1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2	ZINC000409207847	570167810	/nfs/dbraw/zinc/16/78/10/570167810.db2.gz	BFKOZKRHPYCYGA-UHFFFAOYSA-N	-2	0	495.572	4.554	40	30		JJEBRL
Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408850902	195489262	/nfs/dbraw/zinc/48/92/62/195489262.db2.gz	GARQPSBXZXAIRG-UUYOSTAYSA-N	-2	0	489.553	4.999	40	30		JJEBRL
O=C(Nc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C([O-])=N/[O-]	ZINC000040163586	563137007	/nfs/dbraw/zinc/13/70/07/563137007.db2.gz	PVEUUUJZCFCCIZ-UHFFFAOYSA-N	-2	0	480.205	4.783	40	30	in-vitro	JJEBRL
CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000101014844	569779302	/nfs/dbraw/zinc/77/93/02/569779302.db2.gz	YKILIQBGTYHWNK-CLEQQJOVSA-N	-2	0	465.593	4.555	40	30		JJEBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3cccc(C(=O)[O-])c3)N(C)C2=O)o1	ZINC000408962482	570086407	/nfs/dbraw/zinc/08/64/07/570086407.db2.gz	SOCHQTPRICXIPK-ZDVUMVNWSA-N	-2	0	462.483	4.885	40	30		JJEBRL
Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059248637	195395951	/nfs/dbraw/zinc/39/59/51/195395951.db2.gz	SLVFNSIKSJGORV-JAIQZWGSSA-N	-2	0	479.489	4.521	40	30		JJEBRL
CCOc1nnc([N-]S(=O)(=O)c2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2)s1	ZINC000101667900	569802744	/nfs/dbraw/zinc/80/27/44/569802744.db2.gz	MXBKFNYEZZXMMU-AWQFTUOYSA-N	-2	0	473.363	4.501	40	30		JJEBRL
CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000409061581	570114584	/nfs/dbraw/zinc/11/45/84/570114584.db2.gz	FZERPMMGYAINEZ-CFPRZNBBSA-N	-2	0	462.483	4.967	40	30		JJEBRL
COc1ccc(C(C2=C([O-])c3ccccc3C(=O)C2=O)C2=C([O-])c3ccccc3C(=O)C2=O)cc1OC	ZINC000001707224	553983888	/nfs/dbraw/zinc/98/38/88/553983888.db2.gz	GWYLEXVXHUJNLH-UHFFFAOYSA-N	-2	0	496.471	4.570	40	30		JJEBRL
O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)S2)cc1	ZINC000408811849	570049346	/nfs/dbraw/zinc/04/93/46/570049346.db2.gz	MBFUVFRPLHSZSC-ZDLGFXPLSA-N	-2	0	468.874	4.888	40	30		JJEBRL
COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)cc1Cl	ZINC000408859762	570057143	/nfs/dbraw/zinc/05/71/43/570057143.db2.gz	YVLAWJJZTIKEAH-OPEKNORGSA-N	-2	0	454.866	4.681	40	30		JJEBRL
O=C([O-])/C(CC(F)(F)C(F)(F)C(F)(F)F)=C(\CC(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-]	ZINC000100502022	569762698	/nfs/dbraw/zinc/76/26/98/569762698.db2.gz	CTUFUUGZRFKXAJ-ONEGZZNKSA-N	-2	0	480.148	4.898	40	30		JJEBRL
Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408847705	570054984	/nfs/dbraw/zinc/05/49/84/570054984.db2.gz	RCXQYCWWPBWXLG-UUYOSTAYSA-N	-2	0	489.553	4.999	40	30		JJEBRL
COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)c1	ZINC000059250457	195396462	/nfs/dbraw/zinc/39/64/62/195396462.db2.gz	IHOFZRUSWLHLIS-OPEKNORGSA-N	-2	0	454.866	4.681	40	30		JJEBRL
CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1OC	ZINC000101014594	569779242	/nfs/dbraw/zinc/77/92/42/569779242.db2.gz	ABAUQUYZYMZINL-UEIJICEPSA-N	-2	0	495.619	4.564	40	30		JJEBRL
CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000409061609	570114586	/nfs/dbraw/zinc/11/45/86/570114586.db2.gz	YIPZRBAXCUTZCL-CFPRZNBBSA-N	-2	0	462.483	4.967	40	30		JJEBRL
CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000409051627	195502625	/nfs/dbraw/zinc/50/26/25/195502625.db2.gz	DIPMZBCRQZFMFJ-CFPRZNBBSA-N	-2	0	462.483	4.967	40	30		JJEBRL
O=[P@@]([O-])(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100534560	569763859	/nfs/dbraw/zinc/76/38/59/569763859.db2.gz	XVQMYDZWOXOBMD-UHFFFAOYSA-N	-2	0	478.088	4.928	40	30		JJEBRL
Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408853118	570055853	/nfs/dbraw/zinc/05/58/53/570055853.db2.gz	PYKIZVUDFZLZQU-MTJSOVHGSA-N	-2	0	475.526	4.691	40	30		JJEBRL
CC(=NNc1ccccc1C(=O)[O-])c1cc(C(C)=[NH+][N-]c2ccccc2C(=O)[O-])c(C)nc1C	ZINC000039502339	569810204	/nfs/dbraw/zinc/81/02/04/569810204.db2.gz	YOZUTXURSNSBMT-UKNVNEPJSA-N	-2	0	459.506	4.767	40	30		JJEBRL
O=C([O-])c1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408917940	570076019	/nfs/dbraw/zinc/07/60/19/570076019.db2.gz	CZFGSVGRTXFJMD-QRBOLPMJSA-N	-2	0	458.495	4.887	40	30		JJEBRL
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c([O-])c(Cl)c2)C2=C1CCCC2=O	ZINC000409067969	570117187	/nfs/dbraw/zinc/11/71/87/570117187.db2.gz	RUJJCTDKJWOTNS-UHFFFAOYSA-N	-2	0	450.318	4.587	40	30		JJEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1cc(Br)cc(I)c1[O-]	ZINC000409100567	570128295	/nfs/dbraw/zinc/12/82/95/570128295.db2.gz	UWZADIPSFWBWSZ-CNHKJKLMSA-N	-2	0	460.065	4.517	40	30		JJEBRL
CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=Nc1cccc(C(=O)[O-])c1	ZINC000254494650	570105832	/nfs/dbraw/zinc/10/58/32/570105832.db2.gz	XPVWDZSLPUZSIS-CDHZYVHWSA-N	-2	0	488.521	4.896	40	30		JJEBRL
O=C([O-])c1ccc(Cl)c(/N=C/c2cc(Br)cc(I)c2[O-])c1	ZINC000409094078	570125886	/nfs/dbraw/zinc/12/58/86/570125886.db2.gz	CXZZBNUNHKOFOY-NGYBGAFCSA-N	-2	0	480.483	4.862	40	30		JJEBRL
CC(=O)Nc1ccc(C(C2=C([O-])c3ccccc3C(=O)C2=O)C2=C([O-])c3ccccc3C(=O)C2=O)cc1	ZINC000001707223	553984083	/nfs/dbraw/zinc/98/40/83/553984083.db2.gz	GFNCQVWVIZVJSI-UHFFFAOYSA-N	-2	0	493.471	4.511	40	30		JJEBRL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2cccc3ccccc32)c([N+](=O)[O-])c1	ZINC000025155960	556196717	/nfs/dbraw/zinc/19/67/17/556196717.db2.gz	ZNJVAPQDXLLLLM-MFKUBSTISA-N	-2	0	490.497	4.693	40	30		JJEBRL
Cc1cc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059302044	569602777	/nfs/dbraw/zinc/60/27/77/569602777.db2.gz	UVRZTMXFIAHXPD-MTJSOVHGSA-N	-2	0	475.526	4.691	40	30		JJEBRL
CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000101014850	569779352	/nfs/dbraw/zinc/77/93/52/569779352.db2.gz	GEFOEWLASDVSFU-AQRXXJNJSA-N	-2	0	479.620	4.945	40	30		JJEBRL
COC(=O)c1cc(/N=C/c2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)ccc1Cl	ZINC000408855354	570056344	/nfs/dbraw/zinc/05/63/44/570056344.db2.gz	CKUZLHOLJMWKQL-OPEKNORGSA-N	-2	0	454.866	4.681	40	30		JJEBRL
O=C([O-])c1cc(/N=C\c2cc(Br)cc(I)c2[O-])ccc1Cl	ZINC000409099688	570128011	/nfs/dbraw/zinc/12/80/11/570128011.db2.gz	SANVQTPMGPPNCV-FXBPXSCXSA-N	-2	0	480.483	4.862	40	30		JJEBRL
Cc1cc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000002156245	194157696	/nfs/dbraw/zinc/15/76/96/194157696.db2.gz	NNUAYYXNUOHYOF-UUYOSTAYSA-N	-2	0	489.553	4.999	40	30		JJEBRL
CC(=NNc1ccccc1C(=O)[O-])c1cc(C(C)=[NH+][N-]c2ccccc2C(=O)[O-])c(C)nc1C	ZINC000015905920	518465114	/nfs/dbraw/zinc/46/51/14/518465114.db2.gz	YOZUTXURSNSBMT-ODBZBXGJSA-N	-2	0	459.506	4.767	40	30		JJEBRL
[O-]c1c(Cl)cc(Cl)cc1/C=N/N1CCN(/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000001700723	553983599	/nfs/dbraw/zinc/98/35/99/553983599.db2.gz	DNUZXXAEMRXZRB-WDBPGAOMSA-N	-2	0	462.164	4.697	40	30		JJEBRL
[O-]c1c(Cl)cc(Cl)cc1/C=N\N1CCN(/N=C\c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000004990732	554484781	/nfs/dbraw/zinc/48/47/81/554484781.db2.gz	DNUZXXAEMRXZRB-RJVPWCEXSA-N	-2	0	462.164	4.697	40	30		JJEBRL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(N=NC2CCCCc3ccccc32)c([N+](=O)[O-])c1	ZINC000014358871	555797750	/nfs/dbraw/zinc/79/77/50/555797750.db2.gz	NETYSOBLXXUSEK-QQTULTPQSA-N	-2	0	494.529	4.636	40	30		JJEBRL
CCCCCCCCCCCCOC(=S)SCC(=O)N(CCC(=O)[O-])CCC(=O)[O-]	ZINC000100934084	569776414	/nfs/dbraw/zinc/77/64/14/569776414.db2.gz	NZWGVQROXWUVIH-UHFFFAOYSA-N	-2	0	463.662	4.720	40	30		JJEBRL
CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000101014848	569779341	/nfs/dbraw/zinc/77/93/41/569779341.db2.gz	GEFOEWLASDVSFU-CMAIMYMYSA-N	-2	0	479.620	4.945	40	30		JJEBRL
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2[O-])C2=C1CCCC2=O	ZINC000409064083	570115748	/nfs/dbraw/zinc/11/57/48/570115748.db2.gz	BNIGLEFWNPHRCY-UHFFFAOYSA-N	-2	0	450.318	4.587	40	30		JJEBRL
CCCC(=O)C1=C(O)C(C)(C)C(=O)C(CC2=C([O-])C(C)(C)C(=O)C(=C([O-])CCC)C2=O)=C1[O-]	ZINC000001703956	553984067	/nfs/dbraw/zinc/98/40/67/553984067.db2.gz	BTEFKZZSPZYUSO-UHFFFAOYSA-N	-3	0	460.523	4.581	40	30	biogenic,in-vitro	JJEBRL
O=C1C(=O)C(c2ccc(Br)cc2)=C([O-])C([O-])=C1c1ccc(Br)cc1	ZINC000001708223	553984337	/nfs/dbraw/zinc/98/43/37/553984337.db2.gz	BCQTUZLLEOJZLX-UHFFFAOYSA-N	-2	0	450.082	4.602	40	30		JJEBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccc(C(=O)[O-])cc3)N(C)C2=O)o1	ZINC000408960967	570085930	/nfs/dbraw/zinc/08/59/30/570085930.db2.gz	KLBYBFRBLZQAAS-ZDVUMVNWSA-N	-2	0	462.483	4.885	40	30		JJEBRL
Cc1ccc(C(=O)[O-])cc1/N=C\c1cc(Br)cc(I)c1[O-]	ZINC000409097119	570127106	/nfs/dbraw/zinc/12/71/06/570127106.db2.gz	FTGXKQAOLLAKDX-WSVATBPTSA-N	-2	0	460.065	4.517	40	30		JJEBRL
CCOc1cc(/C=C2\CC/C(=C\c3cc(OCC)c([O-])c([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000013914806	555646615	/nfs/dbraw/zinc/64/66/15/555646615.db2.gz	YREGHANSYHOEKU-BGPOSVGRSA-N	-2	0	470.434	4.542	40	30		JJEBRL
CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000100938652	569776796	/nfs/dbraw/zinc/77/67/96/569776796.db2.gz	OARAHHJLAGYZIC-ZPHFMMIUSA-N	-2	0	488.521	4.896	40	30		JJEBRL
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cc(Br)c([O-])c(Br)c2)c1[O-]	ZINC000038182135	569800217	/nfs/dbraw/zinc/80/02/17/569800217.db2.gz	ZQMRFBXPFTZDTH-YAXRCOADSA-N	-2	0	450.470	4.935	40	30		JJEBRL
CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(Br)c([O-])c(Br)c2)c1[O-]	ZINC000038182145	569800519	/nfs/dbraw/zinc/80/05/19/569800519.db2.gz	VSRQZTSXWDKTSW-CNHKJKLMSA-N	-2	0	460.078	4.680	40	30		JJEBRL
Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408811371	570049166	/nfs/dbraw/zinc/04/91/66/570049166.db2.gz	LHECGOQHJFYYHI-KSEXSDGBSA-N	-2	0	488.281	4.846	40	30		JJEBRL
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)S2)c(C)c1	ZINC000409006961	570098241	/nfs/dbraw/zinc/09/82/41/570098241.db2.gz	LRRAVHBATCWKPX-JAIQZWGSSA-N	-2	0	462.483	4.851	40	30		JJEBRL
CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000409061750	570114563	/nfs/dbraw/zinc/11/45/63/570114563.db2.gz	HHLOYDPNTGWTQK-CFPRZNBBSA-N	-2	0	462.483	4.967	40	30		JJEBRL
CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1C(=O)[O-]	ZINC000409217055	570172974	/nfs/dbraw/zinc/17/29/74/570172974.db2.gz	NOXXGJXRTBLDQE-UHFFFAOYSA-N	-2	0	495.572	4.554	40	30		JJEBRL
C=CCc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(OC)c1OCc1ccc(Cl)cc1	ZINC000409329608	570203552	/nfs/dbraw/zinc/20/35/52/570203552.db2.gz	GEAXVPNMLOPAQE-JXMROGBWSA-N	-2	0	469.881	4.936	40	30		JJEBRL
CC(C)(C)c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1	ZINC000012651629	195076250	/nfs/dbraw/zinc/07/62/50/195076250.db2.gz	JBOIFMQQHDOJRJ-MFKUBSTISA-N	-2	0	496.545	4.837	40	30		JJEBRL
CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)S2)cc1	ZINC000059248203	195395873	/nfs/dbraw/zinc/39/58/73/195395873.db2.gz	ZXZGWVBDXKRHID-XKZIYDEJSA-N	-2	0	489.553	4.945	40	30		JJEBRL
CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000101014841	569779303	/nfs/dbraw/zinc/77/93/03/569779303.db2.gz	YKILIQBGTYHWNK-NAVNFMRLSA-N	-2	0	465.593	4.555	40	30		JJEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408779440	570041028	/nfs/dbraw/zinc/04/10/28/570041028.db2.gz	WVXZUMHCOCIWEF-LFVJCYFKSA-N	-2	0	496.519	4.667	40	30		JJEBRL
Cc1cc(/C=N\c2cccc(I)c2)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408854688	570056335	/nfs/dbraw/zinc/05/63/35/570056335.db2.gz	BIACQXSBLFBCEB-KSEXSDGBSA-N	-2	0	488.281	4.846	40	30		JJEBRL
O=[N+]([O-])c1ccc(/C=N\c2ccccc2[N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([O-])c1	ZINC000100732273	569768099	/nfs/dbraw/zinc/76/80/99/569768099.db2.gz	YRGGYGSVGFQOTG-JMIUGGIZSA-N	-2	0	468.338	4.519	40	30		JJEBRL
CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1OC	ZINC000101014598	569779214	/nfs/dbraw/zinc/77/92/14/569779214.db2.gz	ABAUQUYZYMZINL-YZYPPFLQSA-N	-2	0	495.619	4.564	40	30		JJEBRL
Cc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408810431	570049013	/nfs/dbraw/zinc/04/90/13/570049013.db2.gz	KKBZQCTWXKKFQU-UUYOSTAYSA-N	-2	0	489.553	4.999	40	30		JJEBRL
O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)S2)c1	ZINC000408812395	570049478	/nfs/dbraw/zinc/04/94/78/570049478.db2.gz	OPXJSKMTFTWYPM-ZDLGFXPLSA-N	-2	0	468.874	4.888	40	30		JJEBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)o2)c1	ZINC000409283746	570191934	/nfs/dbraw/zinc/19/19/34/570191934.db2.gz	SWHFZILHJODNKR-UHFFFAOYSA-N	-2	0	485.496	4.983	40	30		JJEBRL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc2ccccc2c1	ZINC000014359925	555798657	/nfs/dbraw/zinc/79/86/57/555798657.db2.gz	MOKKKCUMGDMIHS-MFKUBSTISA-N	-2	0	490.497	4.693	40	30		JJEBRL
[O-]c1c(Cl)cc(Cl)cc1/C=N/N1CCN(/N=C\c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000017422575	556260667	/nfs/dbraw/zinc/26/06/67/556260667.db2.gz	DNUZXXAEMRXZRB-NFXRTZMGSA-N	-2	0	462.164	4.697	40	30		JJEBRL
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)cc(Br)c2[O-])cc1	ZINC000051376613	569852329	/nfs/dbraw/zinc/85/23/29/569852329.db2.gz	SKDVOIHXFHDEKM-UWVJOHFNSA-N	-2	0	484.173	4.729	40	30		JJEBRL