smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000409053306	556931544	/nfs/dbraw/zinc/93/15/44/556931544.db2.gz	BVEUITHLMRXKHX-OQLLNIDSSA-N	-2	0	430.800	2.478	40	10		IECBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000409056911	556934409	/nfs/dbraw/zinc/93/44/09/556934409.db2.gz	NMWKCEPJORPWOX-AWNIVKPZSA-N	-2	0	445.771	2.378	40	10		IECBRL
COc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409188720	556988622	/nfs/dbraw/zinc/98/86/22/556988622.db2.gz	FPABVSVQSHSODQ-PILJQMSFSA-N	-2	0	426.450	2.378	40	10		IECBRL
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000008821642	556223326	/nfs/dbraw/zinc/22/33/26/556223326.db2.gz	NYWVITXIQNLGQE-DKASORFFSA-N	-2	0	434.495	2.333	40	10		IECBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000015931132	556985810	/nfs/dbraw/zinc/98/58/10/556985810.db2.gz	ARKJDBSSXXKJDT-SFQUDFHCSA-N	-2	0	438.436	2.253	40	10		IECBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409240380	557021524	/nfs/dbraw/zinc/02/15/24/557021524.db2.gz	TUXOSLDAPRIQBV-CDDSVFCYSA-N	-2	0	428.372	2.353	40	10		IECBRL
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000059437400	557820982	/nfs/dbraw/zinc/82/09/82/557820982.db2.gz	BAWYRDXJZQVPDQ-UHFFFAOYSA-N	-2	0	430.800	2.375	40	10		IECBRL
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000012275001	520983180	/nfs/dbraw/zinc/98/31/80/520983180.db2.gz	NYWVITXIQNLGQE-VCHHOEMESA-N	-2	0	434.495	2.333	40	10		IECBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[n-]n4c3nc3ccccc3c4=O)C2=O)cc1C	ZINC000016312189	556599778	/nfs/dbraw/zinc/59/97/78/556599778.db2.gz	FHMUCBKUNDEPHQ-YVLHZVERSA-N	-2	0	427.420	2.459	40	10		IECBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409012244	556918420	/nfs/dbraw/zinc/91/84/20/556918420.db2.gz	KBUFJOTVYVKUEO-VSXLWIIGSA-N	-2	0	428.372	2.353	40	10		IECBRL
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000409189141	556990468	/nfs/dbraw/zinc/99/04/68/556990468.db2.gz	IYFTWVGDQABGCK-XNTDXEJSSA-N	-2	0	442.449	2.242	40	10		IECBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1Br	ZINC000408692729	556096238	/nfs/dbraw/zinc/09/62/38/556096238.db2.gz	TWIBNYUDHPHLQS-KPKJPENVSA-N	-2	0	437.246	2.317	40	10		IECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000408852953	556870205	/nfs/dbraw/zinc/87/02/05/556870205.db2.gz	OQFVXQJLLKDJBS-RIYZIHGNSA-N	-2	0	430.800	2.478	40	10		IECBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OC	ZINC000409195112	556993685	/nfs/dbraw/zinc/99/36/85/556993685.db2.gz	TWOSVVBMFNVADS-RIYZIHGNSA-N	-2	0	442.449	2.242	40	10		IECBRL
Cc1ccc2[nH]c(=O)c(C=C3C(=O)NN=C3c3c([O-])c4ccccc4n(C)c3=O)c([O-])c2c1	ZINC000100260889	557255987	/nfs/dbraw/zinc/25/59/87/557255987.db2.gz	LYSHFAVMQMSYNV-UVTDQMKNSA-N	-2	0	442.431	2.017	40	10		IECBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000109042013	569261051	/nfs/dbraw/zinc/26/10/51/569261051.db2.gz	UKASIMRZSGGOFQ-ZENNRRHLSA-N	-2	0	441.396	2.307	40	10		IECBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408942316	556897653	/nfs/dbraw/zinc/89/76/53/556897653.db2.gz	ZBSVMYBNHDJKKN-NTUHNPAUSA-N	-3	0	441.352	2.064	40	10		IECBRL
O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409050457	556932741	/nfs/dbraw/zinc/93/27/41/556932741.db2.gz	VXKNBBUZPGLYOJ-RIYZIHGNSA-N	-2	0	445.771	2.378	40	10		IECBRL
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409189446	556995829	/nfs/dbraw/zinc/99/58/29/556995829.db2.gz	GPTPMEMSZFQSKY-RIYZIHGNSA-N	-2	0	442.449	2.242	40	10		IECBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409223926	557017888	/nfs/dbraw/zinc/01/78/88/557017888.db2.gz	GRJDKORIYZYXQY-PKVLTRFUSA-N	-2	0	426.450	2.378	40	10		IECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409254217	557033977	/nfs/dbraw/zinc/03/39/77/557033977.db2.gz	WEIUVNOSXMVZEH-PILJQMSFSA-N	-2	0	440.408	2.222	40	10		IECBRL
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3cccc(C(=O)[O-])c3)C1=O)OCO2	ZINC000009324323	132313846	/nfs/dbraw/zinc/31/38/46/132313846.db2.gz	KWODEZAUSHJCSD-AUWJEWJLSA-N	-2	0	440.433	2.344	40	10		IECBRL
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1C(=O)[O-]	ZINC000010038288	132334258	/nfs/dbraw/zinc/33/42/58/132334258.db2.gz	LRVNIEAWGYDPTI-LFIBNONCSA-N	-2	0	438.392	2.237	40	10		IECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)c(OC)c1	ZINC000409193729	556992924	/nfs/dbraw/zinc/99/29/24/556992924.db2.gz	LSFJEVCBJJWDBR-XBUHWIKASA-N	-2	0	440.408	2.222	40	10		IECBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl	ZINC000059679617	557828517	/nfs/dbraw/zinc/82/85/17/557828517.db2.gz	VIRXVHLQHSNWLP-LFYBBSHMSA-N	-2	0	444.783	2.199	40	10		IECBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)[O-]	ZINC000409043353	556929725	/nfs/dbraw/zinc/92/97/25/556929725.db2.gz	QFSFYQHHZAWQTH-XYOKQWHBSA-N	-2	0	430.800	2.478	40	10		IECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)c(OC)c1	ZINC000409193727	556992900	/nfs/dbraw/zinc/99/29/00/556992900.db2.gz	LSFJEVCBJJWDBR-JXCQQFQQSA-N	-2	0	440.408	2.222	40	10		IECBRL
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21	ZINC000409190018	556995984	/nfs/dbraw/zinc/99/59/84/556995984.db2.gz	UQWBQXRTNWMOPR-CXUHLZMHSA-N	-3	0	449.444	2.255	40	10		IECBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409233073	557024713	/nfs/dbraw/zinc/02/47/13/557024713.db2.gz	DEGIHDRNTOUMEM-ZRRZQRFHSA-N	-2	0	428.372	2.353	40	10		IECBRL
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000008821640	556223323	/nfs/dbraw/zinc/22/33/23/556223323.db2.gz	QPDKGXVVCYDNTD-VCHHOEMESA-N	-2	0	434.495	2.189	40	10		IECBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408911697	556888444	/nfs/dbraw/zinc/88/84/44/556888444.db2.gz	CGIMDSRGRUXOOG-OVCLIPMQSA-N	-2	0	428.372	2.354	40	10		IECBRL
O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-]	ZINC000245239391	557849868	/nfs/dbraw/zinc/84/98/68/557849868.db2.gz	IMUHQHZZOKAAQS-UHFFFAOYSA-N	-2	0	432.348	2.412	40	10		IECBRL
COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCC(=O)[O-]	ZINC000033525535	569259308	/nfs/dbraw/zinc/25/93/08/569259308.db2.gz	SULSBDTYEXEEEZ-RIYZIHGNSA-N	-2	0	447.241	2.383	40	10		IECBRL
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1C(=O)[O-]	ZINC000010038290	132334275	/nfs/dbraw/zinc/33/42/75/132334275.db2.gz	HKXITDZVABVVKH-OQLLNIDSSA-N	-2	0	425.353	2.358	40	10		IECBRL
O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(C2CCCC2)C1=O	ZINC000408695156	556097420	/nfs/dbraw/zinc/09/74/20/556097420.db2.gz	RAOUJGCULGSSMV-MDWZMJQESA-N	-2	0	437.246	2.317	40	10		IECBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	ZINC000409046270	556930557	/nfs/dbraw/zinc/93/05/57/556930557.db2.gz	JUCZEZJQQJCJCA-NTUHNPAUSA-N	-2	0	445.771	2.378	40	10		IECBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000409048631	556932064	/nfs/dbraw/zinc/93/20/64/556932064.db2.gz	TWZGAFQTBPVRDD-VGOFMYFVSA-N	-2	0	430.800	2.478	40	10		IECBRL
O=c1[nH]c2ncccc2c([O-])c1C(c1ccc(O)c(O)c1)c1c([O-])c2cccnc2[nH]c1=O	ZINC000016430842	556607418	/nfs/dbraw/zinc/60/74/18/556607418.db2.gz	MCYXIXUVKZWVSP-UHFFFAOYSA-N	-2	0	444.403	2.162	40	10		IECBRL
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409071511	556945702	/nfs/dbraw/zinc/94/57/02/556945702.db2.gz	PERMYMAZQGNGOL-UHFFFAOYSA-N	-2	0	430.800	2.375	40	10		IECBRL
O=C([O-])c1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000034106626	557810947	/nfs/dbraw/zinc/81/09/47/557810947.db2.gz	AGALQVUDMSBVCS-RVDMUPIBSA-N	-2	0	427.438	2.486	40	10		IECBRL
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408934122	556895239	/nfs/dbraw/zinc/89/52/39/556895239.db2.gz	CPOINYSAZZGZGW-UHFFFAOYSA-N	-2	0	441.465	2.089	40	10		IECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000408945913	556897371	/nfs/dbraw/zinc/89/73/71/556897371.db2.gz	OHCHQHJTVJOIIQ-KPENOIPVSA-N	-2	0	440.408	2.222	40	10		IECBRL
COc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409188719	556988660	/nfs/dbraw/zinc/98/86/60/556988660.db2.gz	FPABVSVQSHSODQ-JASJWYONSA-N	-2	0	426.450	2.378	40	10		IECBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409045316	556930390	/nfs/dbraw/zinc/93/03/90/556930390.db2.gz	GFGQIBZHWAUEPW-NTUHNPAUSA-N	-2	0	430.800	2.478	40	10		IECBRL
CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C1=O)OCO2	ZINC000409193638	556992908	/nfs/dbraw/zinc/99/29/08/556992908.db2.gz	KPAGLYVAEKPANY-VGOFMYFVSA-N	-2	0	440.433	2.344	40	10		IECBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409240379	557021508	/nfs/dbraw/zinc/02/15/08/557021508.db2.gz	TUXOSLDAPRIQBV-BVRAVYJCSA-N	-2	0	428.372	2.353	40	10		IECBRL
COc1cccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)[N-]C2=S)c1	ZINC000100311878	557257333	/nfs/dbraw/zinc/25/73/33/557257333.db2.gz	JOCWMKFICHTULF-ZCWPUFOUSA-N	-2	0	434.477	2.408	40	10		IECBRL
O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1/N=N/c1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-]	ZINC000006507098	556092257	/nfs/dbraw/zinc/09/22/57/556092257.db2.gz	IMUHQHZZOKAAQS-BUHFOSPRSA-N	-2	0	432.348	2.412	40	10		IECBRL
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000008821641	556223358	/nfs/dbraw/zinc/22/33/58/556223358.db2.gz	QPDKGXVVCYDNTD-DKASORFFSA-N	-2	0	434.495	2.189	40	10		IECBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408858787	556871404	/nfs/dbraw/zinc/87/14/04/556871404.db2.gz	SMCCOTNKZLQGFD-AWNIVKPZSA-N	-2	0	442.340	2.274	40	10		IECBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408938740	556897477	/nfs/dbraw/zinc/89/74/77/556897477.db2.gz	RIXDPCYQHPOBHW-NTUHNPAUSA-N	-2	0	442.340	2.274	40	10		IECBRL
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000408946623	556898245	/nfs/dbraw/zinc/89/82/45/556898245.db2.gz	ATBWKLAREZEVCO-NYYWCZLTSA-N	-2	0	431.744	2.349	40	10		IECBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408955546	556899219	/nfs/dbraw/zinc/89/92/19/556899219.db2.gz	UQNWAPNUJIIBEQ-LFYBBSHMSA-N	-2	0	441.352	2.094	40	10		IECBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409012243	556918429	/nfs/dbraw/zinc/91/84/29/556918429.db2.gz	KBUFJOTVYVKUEO-GJSJWPQCSA-N	-2	0	428.372	2.353	40	10		IECBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409015577	556920673	/nfs/dbraw/zinc/92/06/73/556920673.db2.gz	SOVDVIYTAHBKTL-JXCQQFQQSA-N	-2	0	426.450	2.378	40	10		IECBRL
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1OC	ZINC000409191842	556991935	/nfs/dbraw/zinc/99/19/35/556991935.db2.gz	OPIHTLQKMFKQTJ-GXDHUFHOSA-N	-2	0	442.449	2.242	40	10		IECBRL
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409214990	557009603	/nfs/dbraw/zinc/00/96/03/557009603.db2.gz	ZAPLQCBKIMGLLJ-XNTDXEJSSA-N	-2	0	425.353	2.358	40	10		IECBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000109042019	569261048	/nfs/dbraw/zinc/26/10/48/569261048.db2.gz	UKASIMRZSGGOFQ-CDCQXCROSA-N	-2	0	441.396	2.307	40	10		IECBRL
O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1/N=N\c1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-]	ZINC000013403687	556504577	/nfs/dbraw/zinc/50/45/77/556504577.db2.gz	IMUHQHZZOKAAQS-YPKPFQOOSA-N	-2	0	432.348	2.412	40	10		IECBRL
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000016196162	556590441	/nfs/dbraw/zinc/59/04/41/556590441.db2.gz	PTHKBDWFIPGLDH-VGOFMYFVSA-N	-2	0	447.241	2.383	40	10		IECBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409233072	557024568	/nfs/dbraw/zinc/02/45/68/557024568.db2.gz	DEGIHDRNTOUMEM-BTAWCLGRSA-N	-2	0	428.372	2.353	40	10		IECBRL
COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCC(=O)[O-]	ZINC000033525534	569259298	/nfs/dbraw/zinc/25/92/98/569259298.db2.gz	SULSBDTYEXEEEZ-ZSOIEALJSA-N	-2	0	447.241	2.383	40	10		IECBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000106119231	569260583	/nfs/dbraw/zinc/26/05/83/569260583.db2.gz	ZLLSXLBHXFNCHA-QPEQYQDCSA-N	-2	0	447.241	2.383	40	10		IECBRL
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000408830510	556866693	/nfs/dbraw/zinc/86/66/93/556866693.db2.gz	GDBQTVCSEXCEBV-LFIBNONCSA-N	-2	0	438.392	2.237	40	10		IECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409254216	557033954	/nfs/dbraw/zinc/03/39/54/557033954.db2.gz	WEIUVNOSXMVZEH-JASJWYONSA-N	-2	0	440.408	2.222	40	10		IECBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000033321685	557807375	/nfs/dbraw/zinc/80/73/75/557807375.db2.gz	CCFQPHIAIYSESN-QPEQYQDCSA-N	-2	0	447.241	2.383	40	10		IECBRL
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1C(=O)[O-]	ZINC000010038282	132334261	/nfs/dbraw/zinc/33/42/61/132334261.db2.gz	MSNCWUSAXLYJFD-XNTDXEJSSA-N	-2	0	425.353	2.358	40	10		IECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000408945918	556897455	/nfs/dbraw/zinc/89/74/55/556897455.db2.gz	OHCHQHJTVJOIIQ-YUSFRKCESA-N	-2	0	440.408	2.222	40	10		IECBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408990615	556911324	/nfs/dbraw/zinc/91/13/24/556911324.db2.gz	OFSQNVFCCSOXBH-XNTDXEJSSA-N	-2	0	426.450	2.380	40	10		IECBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409015582	556920730	/nfs/dbraw/zinc/92/07/30/556920730.db2.gz	SOVDVIYTAHBKTL-XBUHWIKASA-N	-2	0	426.450	2.378	40	10		IECBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409223928	557017871	/nfs/dbraw/zinc/01/78/71/557017871.db2.gz	GRJDKORIYZYXQY-YGRGUWMTSA-N	-2	0	426.450	2.378	40	10		IECBRL