smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(Br)c2)SC1=S	ZINC000036613110	556507252	/nfs/dbraw/zinc/50/72/52/556507252.db2.gz	QRPGDQDDPOCFEL-ISAHRAOESA-N	-2	0	446.300	2.674	40	10		IFCBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408931182	556894799	/nfs/dbraw/zinc/89/47/99/556894799.db2.gz	ICJBXGXRYDAEDZ-LICLKQGHSA-N	-2	0	445.387	2.571	40	10		IFCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1	ZINC000408941826	556896428	/nfs/dbraw/zinc/89/64/28/556896428.db2.gz	PWBCTJVZSSMBSZ-KPKJPENVSA-N	-2	0	431.198	2.519	40	10		IFCBRL
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1[O-]	ZINC000408983420	556908204	/nfs/dbraw/zinc/90/82/04/556908204.db2.gz	MABBQJZDVBWATN-MLPAPPSSSA-N	-2	0	431.788	2.937	40	10		IFCBRL
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1C	ZINC000409190940	556991666	/nfs/dbraw/zinc/99/16/66/556991666.db2.gz	CAPXEESJBDDROJ-XNTDXEJSSA-N	-2	0	426.450	2.542	40	10		IFCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409244927	557027125	/nfs/dbraw/zinc/02/71/25/557027125.db2.gz	KQOMUSUXEZINJV-YBFXNURJSA-N	-2	0	430.420	2.854	40	10		IFCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409246189	557027942	/nfs/dbraw/zinc/02/79/42/557027942.db2.gz	GEHPADQAWBMKJM-LVLBFHFTSA-N	-2	0	438.436	2.776	40	10		IFCBRL
COc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1[O-]	ZINC000059104512	557814345	/nfs/dbraw/zinc/81/43/45/557814345.db2.gz	VHFRTKIKROTJPP-LFYBBSHMSA-N	-2	0	427.325	2.544	40	10		IFCBRL
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000408936389	556895704	/nfs/dbraw/zinc/89/57/04/556895704.db2.gz	FVSCFQMZVJDUFU-MDWZMJQESA-N	-2	0	445.225	2.822	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409020585	556922124	/nfs/dbraw/zinc/92/21/24/556922124.db2.gz	QUCFHJJTBKSHLW-LERPTODRSA-N	-2	0	440.477	2.687	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)[O-]	ZINC000409044299	556930033	/nfs/dbraw/zinc/93/00/33/556930033.db2.gz	BRCJXNCWEHHTFD-VGOFMYFVSA-N	-2	0	444.827	2.787	40	10		IFCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000409102966	556956632	/nfs/dbraw/zinc/95/66/32/556956632.db2.gz	UYACBLHEBWAKOV-CPNJWEJPSA-N	-2	0	431.404	2.851	40	10		IFCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C2=O)cc1	ZINC000409188690	556988645	/nfs/dbraw/zinc/98/86/45/556988645.db2.gz	JYGGUUXLUCMGTR-HTMJNSLASA-N	-2	0	433.420	2.962	40	10		IFCBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)ccc21	ZINC000409191569	556991890	/nfs/dbraw/zinc/99/18/90/556991890.db2.gz	ZHYNWSLHNQTQIO-RGZVIEDOSA-N	-2	0	447.403	2.682	40	10		IFCBRL
CCOc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409192646	556992530	/nfs/dbraw/zinc/99/25/30/556992530.db2.gz	DFISQPQFYDATRH-LVLBFHFTSA-N	-2	0	440.477	2.769	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409241497	557031615	/nfs/dbraw/zinc/03/16/15/557031615.db2.gz	XXNAVPJYVCQOJX-CDDSVFCYSA-N	-2	0	444.440	2.518	40	10		IFCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409252452	557037233	/nfs/dbraw/zinc/03/72/33/557037233.db2.gz	XVTHOTQCGXFCEG-YBFXNURJSA-N	-2	0	430.420	2.854	40	10		IFCBRL
COc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2ccc(C(=O)[O-])cc2)c1=O	ZINC000102918271	557309835	/nfs/dbraw/zinc/30/98/35/557309835.db2.gz	RNZQNRXGBXKHDZ-SMIQVMJNSA-N	-2	0	437.412	2.619	40	10		IFCBRL
COc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2ccc(C(=O)[O-])cc2)c1=O	ZINC000104315450	557324982	/nfs/dbraw/zinc/32/49/82/557324982.db2.gz	RNZQNRXGBXKHDZ-QNBCRBJRSA-N	-2	0	437.412	2.619	40	10		IFCBRL
COc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000002594490	568788848	/nfs/dbraw/zinc/78/88/48/568788848.db2.gz	WXTNXATVJGBGSQ-OOIIIRTPSA-N	-2	0	426.450	2.790	40	10		IFCBRL
O=C([O-])c1ccc(CNC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	ZINC000408550350	555863119	/nfs/dbraw/zinc/86/31/19/555863119.db2.gz	GKQHSDOOTJZPQX-LCYFTJDESA-N	-2	0	433.848	2.599	40	10		IFCBRL
COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)c(Cl)cc1O	ZINC000036613140	556507118	/nfs/dbraw/zinc/50/71/18/556507118.db2.gz	VGLBKHSWWCYRLU-UKWOQQOSSA-N	-2	0	431.875	2.573	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OC	ZINC000408946713	556898329	/nfs/dbraw/zinc/89/83/29/556898329.db2.gz	ZDIFJJYOZSTSEB-NTUHNPAUSA-N	-2	0	430.800	2.722	40	10		IFCBRL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408981196	556907719	/nfs/dbraw/zinc/90/77/19/556907719.db2.gz	ABKBIUJJUSSNMJ-XGICHPGQSA-N	-2	0	431.788	2.937	40	10		IFCBRL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408985512	556909317	/nfs/dbraw/zinc/90/93/17/556909317.db2.gz	XFDAWZNJUQZOHJ-BOPFTXTBSA-N	-2	0	438.436	2.778	40	10		IFCBRL
COc1cccc2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)nc21	ZINC000054360835	568940568	/nfs/dbraw/zinc/94/05/68/568940568.db2.gz	BZTJAGAQKCKEPM-CJAAZZPWSA-N	-2	0	432.479	2.763	40	10		IFCBRL
O=C([O-])c1cccc(S(=O)(=O)[N-]N2C(=O)CS[C@@H]2c2c(O)ccc3ccccc32)c1	ZINC000001642143	555707899	/nfs/dbraw/zinc/70/78/99/555707899.db2.gz	IGYZXJCGDWQACZ-LJQANCHMSA-N	-2	0	444.490	2.711	40	10		IFCBRL
O=C([O-])c1ccc(O)c(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	ZINC000408550641	555867671	/nfs/dbraw/zinc/86/76/71/555867671.db2.gz	IQMWYDARKOPMPC-YFHOEESVSA-N	-2	0	435.820	2.627	40	10		IFCBRL
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408723297	556151023	/nfs/dbraw/zinc/15/10/23/556151023.db2.gz	STPBXGJVCSQBKG-WUXMJOGZSA-N	-2	0	448.800	2.693	40	10		IFCBRL
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2)c(=O)[n-]1	ZINC000017021139	556653377	/nfs/dbraw/zinc/65/33/77/556653377.db2.gz	JTGRMOQVNQJUFW-FMQUCBEESA-N	-2	0	438.520	2.862	40	10		IFCBRL
CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1[O-]	ZINC000408899374	556881943	/nfs/dbraw/zinc/88/19/43/556881943.db2.gz	OUXARALLHYHGPY-CXUHLZMHSA-N	-2	0	425.397	2.982	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409020586	556922091	/nfs/dbraw/zinc/92/20/91/556922091.db2.gz	QUCFHJJTBKSHLW-QQFZQELXSA-N	-2	0	440.477	2.687	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409019925	556924347	/nfs/dbraw/zinc/92/43/47/556924347.db2.gz	KWWIVFYWWAWNPX-BTAWCLGRSA-N	-2	0	444.827	2.867	40	10		IFCBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1	ZINC000409099927	556954944	/nfs/dbraw/zinc/95/49/44/556954944.db2.gz	RTWIYRMNMRYZOK-LICLKQGHSA-N	-2	0	445.387	2.571	40	10		IFCBRL
COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000409187926	556988408	/nfs/dbraw/zinc/98/84/08/556988408.db2.gz	DFQGMGSQQJYLMV-NTUHNPAUSA-N	-2	0	446.868	2.887	40	10		IFCBRL
CCOc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409192647	556992433	/nfs/dbraw/zinc/99/24/33/556992433.db2.gz	DFISQPQFYDATRH-VLURKWGBSA-N	-2	0	440.477	2.769	40	10		IFCBRL
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1OC	ZINC000409210141	557004610	/nfs/dbraw/zinc/00/46/10/557004610.db2.gz	DZTKOIQDVXBFFM-NTEUORMPSA-N	-2	0	441.396	2.764	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409239655	557021032	/nfs/dbraw/zinc/02/10/32/557021032.db2.gz	IAOHZCOZXAPTOT-KWWJGWKXSA-N	-2	0	440.477	2.687	40	10		IFCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409246190	557027998	/nfs/dbraw/zinc/02/79/98/557027998.db2.gz	GEHPADQAWBMKJM-VLURKWGBSA-N	-2	0	438.436	2.776	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409244067	557033743	/nfs/dbraw/zinc/03/37/43/557033743.db2.gz	WZNCJRXGUXTVQF-KWWJGWKXSA-N	-2	0	440.477	2.687	40	10		IFCBRL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OC	ZINC000016195163	557470807	/nfs/dbraw/zinc/47/08/07/557470807.db2.gz	SDMKAWFVRAZODA-RIYZIHGNSA-N	-2	0	426.381	2.917	40	10		IFCBRL
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000033700564	569259578	/nfs/dbraw/zinc/25/95/78/569259578.db2.gz	LJIACBXUVMHCQU-VIZOYTHASA-N	-2	0	449.462	2.851	40	10		IFCBRL
Nc1ccccc1NN=C1C(=O)c2c(O)cc(S(=O)(=O)[O-])cc2C=C1S(=O)(=O)[O-]	ZINC000013703916	556283271	/nfs/dbraw/zinc/28/32/71/556283271.db2.gz	XLDBFKFFJKGSTN-HNENSFHCSA-N	-2	0	439.427	2.742	40	10	in-vitro	IFCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)c(C)c1	ZINC000016284810	556597488	/nfs/dbraw/zinc/59/74/88/556597488.db2.gz	HAZSRQRHQJHQKZ-ZROIWOOFSA-N	-2	0	438.396	2.836	40	10		IFCBRL
O=C1c2c(O)cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NN=c1cccc[nH]1	ZINC000299888513	556708200	/nfs/dbraw/zinc/70/82/00/556708200.db2.gz	MJTZJDRAIFALLM-UHFFFAOYSA-N	-2	0	425.400	2.555	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408845846	556868846	/nfs/dbraw/zinc/86/88/46/556868846.db2.gz	LRTSXCYCGGFYEB-AWNIVKPZSA-N	-2	0	448.790	2.618	40	10		IFCBRL
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408917079	556888705	/nfs/dbraw/zinc/88/87/05/556888705.db2.gz	MDXACCKNDQRZBY-DHDCSXOGSA-N	-2	0	444.440	2.519	40	10		IFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)c(OCC)c1	ZINC000408962324	556901389	/nfs/dbraw/zinc/90/13/89/556901389.db2.gz	HJUGCSWPSNWYRO-NTEUORMPSA-N	-2	0	441.396	2.764	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409015037	556920584	/nfs/dbraw/zinc/92/05/84/556920584.db2.gz	RAOWZHJRLCQQOP-FBJMNJBLSA-N	-2	0	438.436	2.830	40	10		IFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409050121	556932415	/nfs/dbraw/zinc/93/24/15/556932415.db2.gz	ZBIYQARVKIQNKI-RIYZIHGNSA-N	-2	0	444.827	2.869	40	10		IFCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)c1	ZINC000409194138	556993196	/nfs/dbraw/zinc/99/31/96/556993196.db2.gz	NHEYRMKTSQWDRH-HNEYUBDGSA-N	-2	0	440.477	2.769	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409228475	557015328	/nfs/dbraw/zinc/01/53/28/557015328.db2.gz	ANZWHZZLQASSSF-LUYJPIOASA-N	-2	0	438.436	2.830	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409232105	557024072	/nfs/dbraw/zinc/02/40/72/557024072.db2.gz	GZTCYCGMDPFRKD-BTAWCLGRSA-N	-2	0	444.827	2.867	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409244068	557033702	/nfs/dbraw/zinc/03/37/02/557033702.db2.gz	WZNCJRXGUXTVQF-XDUBLRSXSA-N	-2	0	440.477	2.687	40	10		IFCBRL
COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409329417	557063808	/nfs/dbraw/zinc/06/38/08/557063808.db2.gz	FSNMWFVFFVZAIH-KPKJPENVSA-N	-2	0	437.480	2.917	40	10		IFCBRL
COc1ccc(NC(=O)CC(=O)n2[n-]c(C)c(N=Nc3ccc(C(=O)[O-])cc3)c2=O)cc1	ZINC000104315473	557324840	/nfs/dbraw/zinc/32/48/40/557324840.db2.gz	NAWFPOYOMLERBD-QNBCRBJRSA-N	-2	0	437.412	2.619	40	10		IFCBRL
Nc1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000004365542	555990536	/nfs/dbraw/zinc/99/05/36/555990536.db2.gz	IWOSIGNANKUKIQ-VHEBQXMUSA-N	-2	0	439.427	2.742	40	10		IFCBRL
COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)c(Cl)cc1O	ZINC000036613139	556507186	/nfs/dbraw/zinc/50/71/86/556507186.db2.gz	VGLBKHSWWCYRLU-IWKZGAEBSA-N	-2	0	431.875	2.573	40	10		IFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408859139	556872976	/nfs/dbraw/zinc/87/29/76/556872976.db2.gz	WTHAZKIYENQURZ-LICLKQGHSA-N	-2	0	438.436	2.832	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409019927	556924333	/nfs/dbraw/zinc/92/43/33/556924333.db2.gz	KWWIVFYWWAWNPX-ZRRZQRFHSA-N	-2	0	444.827	2.867	40	10		IFCBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)ccc21	ZINC000409191568	556991882	/nfs/dbraw/zinc/99/18/82/556991882.db2.gz	ZHYNWSLHNQTQIO-GFQQVXNGSA-N	-2	0	447.403	2.682	40	10		IFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)[N-]C2=S)cc1	ZINC000409195971	556994163	/nfs/dbraw/zinc/99/41/63/556994163.db2.gz	XSJSPNUYDPQYCA-KPKJPENVSA-N	-2	0	447.266	2.684	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409243974	557033805	/nfs/dbraw/zinc/03/38/05/557033805.db2.gz	ZXSBRMMZNAIUHM-SWEABUAFSA-N	-2	0	438.436	2.830	40	10		IFCBRL
C[C@H](Oc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)C(=O)[O-]	ZINC000034721122	569260065	/nfs/dbraw/zinc/26/00/65/569260065.db2.gz	NEVORFFATGWIHO-SAIXKJTDSA-N	-2	0	431.242	2.762	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409204101	557002945	/nfs/dbraw/zinc/00/29/45/557002945.db2.gz	BBTXEKWHXKAIIN-LFYBBSHMSA-N	-2	0	431.788	2.937	40	10		IFCBRL
COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c(N=Nc3ccc(C(=O)[O-])cc3)c2=O)c1	ZINC000102946971	557310604	/nfs/dbraw/zinc/31/06/04/557310604.db2.gz	PBNIYUVSTZBQSO-SMIQVMJNSA-N	-2	0	437.412	2.619	40	10		IFCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000059679753	557828532	/nfs/dbraw/zinc/82/85/32/557828532.db2.gz	HTJGUGHRMRJHHS-VBEHJTROSA-N	-2	0	440.477	2.769	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OC	ZINC000409193398	556992695	/nfs/dbraw/zinc/99/26/95/556992695.db2.gz	JXOSTEPPYWXBSE-NTUHNPAUSA-N	-2	0	446.868	2.887	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409238595	557020139	/nfs/dbraw/zinc/02/01/39/557020139.db2.gz	LGFAEZLTGYQKIW-JMRXEAOASA-N	-2	0	440.477	2.687	40	10		IFCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409393288	557097585	/nfs/dbraw/zinc/09/75/85/557097585.db2.gz	PQNOHSKENOMHIN-XDHOZWIPSA-N	-2	0	430.420	2.854	40	10		IFCBRL
COc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2ccc(C(=O)[O-])cc2)c1=O	ZINC000102918270	557309899	/nfs/dbraw/zinc/30/98/99/557309899.db2.gz	RNZQNRXGBXKHDZ-FYTMPNSFSA-N	-2	0	437.412	2.619	40	10		IFCBRL
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000033452049	569259382	/nfs/dbraw/zinc/25/93/82/569259382.db2.gz	APNDSCPCOJJJMY-NDENLUEZSA-N	-2	0	445.431	2.952	40	10		IFCBRL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S	ZINC000096306233	569392176	/nfs/dbraw/zinc/39/21/76/569392176.db2.gz	XERSBYXFZUFAMF-AISSWFOISA-N	-3	0	447.446	2.774	40	10		IFCBRL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(Br)c2)SC1=S	ZINC000036613111	556507258	/nfs/dbraw/zinc/50/72/58/556507258.db2.gz	QRPGDQDDPOCFEL-NJQKBMNKSA-N	-2	0	446.300	2.674	40	10		IFCBRL
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c(=O)[n-]1	ZINC000017021145	556653308	/nfs/dbraw/zinc/65/33/08/556653308.db2.gz	YBEJHDLFVHXJDY-GHVJWSGMSA-N	-2	0	432.491	2.801	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408991811	556911720	/nfs/dbraw/zinc/91/17/20/556911720.db2.gz	QZVVNPMAFBRJOD-CXUHLZMHSA-N	-2	0	440.477	2.607	40	10		IFCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000409009625	556917366	/nfs/dbraw/zinc/91/73/66/556917366.db2.gz	HADLZXDWNGRNAK-VVBXCHJUSA-N	-2	0	438.436	2.776	40	10		IFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)[N-]C2=S)cc1	ZINC000409192136	556992165	/nfs/dbraw/zinc/99/21/65/556992165.db2.gz	AWBPYJKDAKUFBW-LDADJPATSA-N	-2	0	433.445	2.712	40	10		IFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OC	ZINC000409195037	556993695	/nfs/dbraw/zinc/99/36/95/556993695.db2.gz	QVFFGWBPCWKXMW-XNTDXEJSSA-N	-2	0	426.450	2.623	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409239656	557020942	/nfs/dbraw/zinc/02/09/42/557020942.db2.gz	IAOHZCOZXAPTOT-XDUBLRSXSA-N	-2	0	440.477	2.687	40	10		IFCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OC)c2O[C@@H](C)C(=O)[O-])C1=O	ZINC000409246290	557027992	/nfs/dbraw/zinc/02/79/92/557027992.db2.gz	AMGWPMZIOCBVLK-HKJJFUAXSA-N	-2	0	438.436	2.776	40	10		IFCBRL
COc1ccc(NC(=O)CC(=O)n2[n-]c(C)c(N=Nc3ccc(C(=O)[O-])cc3)c2=O)cc1	ZINC000102946047	557310700	/nfs/dbraw/zinc/31/07/00/557310700.db2.gz	NAWFPOYOMLERBD-FYTMPNSFSA-N	-2	0	437.412	2.619	40	10		IFCBRL
Nc1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000104039804	557319541	/nfs/dbraw/zinc/31/95/41/557319541.db2.gz	IWOSIGNANKUKIQ-HNENSFHCSA-N	-2	0	439.427	2.742	40	10		IFCBRL
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c(=O)[n-]1	ZINC000104090709	557320005	/nfs/dbraw/zinc/32/00/05/557320005.db2.gz	YBEJHDLFVHXJDY-FCQUAONHSA-N	-2	0	432.491	2.801	40	10		IFCBRL
COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c(N=Nc3ccc(C(=O)[O-])cc3)c2=O)c1	ZINC000104315461	557324963	/nfs/dbraw/zinc/32/49/63/557324963.db2.gz	PBNIYUVSTZBQSO-QNBCRBJRSA-N	-2	0	437.412	2.619	40	10		IFCBRL
COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c(N=Nc3ccc(C(=O)[O-])cc3)c2=O)c1	ZINC000104315469	557324970	/nfs/dbraw/zinc/32/49/70/557324970.db2.gz	PBNIYUVSTZBQSO-OAFDPHIXSA-N	-2	0	437.412	2.619	40	10		IFCBRL
COc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000002594492	568788977	/nfs/dbraw/zinc/78/89/77/568788977.db2.gz	WXTNXATVJGBGSQ-PBSOMRJOSA-N	-2	0	426.450	2.790	40	10		IFCBRL
C[C@@H](Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)C(=O)[O-]	ZINC000107609698	569260565	/nfs/dbraw/zinc/26/05/65/569260565.db2.gz	ZNXKQPPYIMKEHN-RLIURORJSA-N	-2	0	431.242	2.762	40	10		IFCBRL
C[C@H](Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000108101606	569260798	/nfs/dbraw/zinc/26/07/98/569260798.db2.gz	HPNVYRJFURROMY-WULZRQGASA-N	-2	0	431.788	2.562	40	10		IFCBRL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S	ZINC000096306232	569392202	/nfs/dbraw/zinc/39/22/02/569392202.db2.gz	XERSBYXFZUFAMF-OBTCNRAFSA-N	-3	0	447.446	2.774	40	10		IFCBRL
O=C([O-])c1cccc(S(=O)(=O)[N-]N2C(=O)CS[C@H]2c2c(O)ccc3ccccc32)c1	ZINC000005955484	556070786	/nfs/dbraw/zinc/07/07/86/556070786.db2.gz	IGYZXJCGDWQACZ-IBGZPJMESA-N	-2	0	444.490	2.711	40	10		IFCBRL
CCOc1cccc(N2C(=O)/C(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000408740693	556213029	/nfs/dbraw/zinc/21/30/29/556213029.db2.gz	LUPJFNZFTJOQGC-VGOFMYFVSA-N	-2	0	443.437	2.539	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409226927	557014419	/nfs/dbraw/zinc/01/44/19/557014419.db2.gz	NYXFCFLTQSNTDN-MPMPPSQCSA-N	-2	0	438.436	2.830	40	10		IFCBRL
CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000409379281	557094257	/nfs/dbraw/zinc/09/42/57/557094257.db2.gz	VQLFGGJBCRGOOZ-RIYZIHGNSA-N	-2	0	427.438	2.703	40	10		IFCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000059679749	557828503	/nfs/dbraw/zinc/82/85/03/557828503.db2.gz	HTJGUGHRMRJHHS-FHXOWUIVSA-N	-2	0	440.477	2.769	40	10		IFCBRL
C[C@@H](Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000033657005	569259605	/nfs/dbraw/zinc/25/96/05/569259605.db2.gz	ONQBTMYFMIUGIY-QVASGMJFSA-N	-2	0	431.788	2.562	40	10		IFCBRL
C[C@H](Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br)C(=O)[O-]	ZINC000107609691	569260526	/nfs/dbraw/zinc/26/05/26/569260526.db2.gz	ZNXKQPPYIMKEHN-HOXUKUGESA-N	-2	0	431.242	2.762	40	10		IFCBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Cl	ZINC000032189242	556537150	/nfs/dbraw/zinc/53/71/50/556537150.db2.gz	DLEBRQIIQQLCHU-YRNVUSSQSA-N	-2	0	434.832	2.774	40	10		IFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408852709	556869864	/nfs/dbraw/zinc/86/98/64/556869864.db2.gz	VSFOSLGAATZSTD-OVCLIPMQSA-N	-2	0	425.397	2.982	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409015039	556920470	/nfs/dbraw/zinc/92/04/70/556920470.db2.gz	RAOWZHJRLCQQOP-NGWPFTMJSA-N	-2	0	438.436	2.830	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409238600	557020046	/nfs/dbraw/zinc/02/00/46/557020046.db2.gz	LGFAEZLTGYQKIW-WDGDVPDHSA-N	-2	0	440.477	2.687	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409232109	557024013	/nfs/dbraw/zinc/02/40/13/557024013.db2.gz	GZTCYCGMDPFRKD-ZRRZQRFHSA-N	-2	0	444.827	2.867	40	10		IFCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OC)c2O[C@H](C)C(=O)[O-])C1=O	ZINC000409246291	557028002	/nfs/dbraw/zinc/02/80/02/557028002.db2.gz	AMGWPMZIOCBVLK-MLDYKZIASA-N	-2	0	438.436	2.776	40	10		IFCBRL
C[C@@H](Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000108101612	569260830	/nfs/dbraw/zinc/26/08/30/569260830.db2.gz	HPNVYRJFURROMY-DOQDJBIESA-N	-2	0	431.788	2.562	40	10		IFCBRL
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(O)c1	ZINC000408551544	555859357	/nfs/dbraw/zinc/85/93/57/555859357.db2.gz	NBTWXOVQCFTYNU-YFHOEESVSA-N	-2	0	435.820	2.627	40	10		IFCBRL
Nc1ccc(/N=N/c2c(N)ccc3cc(S(=O)(=O)[O-])cc([O-])c32)c(S(=O)(=O)[O-])c1	ZINC000005488280	556056077	/nfs/dbraw/zinc/05/60/77/556056077.db2.gz	VCLBPBRTEMUQBU-FMQUCBEESA-N	-3	0	438.443	2.619	40	10		IFCBRL
COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc(Cl)c1O	ZINC000036613144	556507451	/nfs/dbraw/zinc/50/74/51/556507451.db2.gz	VFVMFDUPUUNMQL-NJQKBMNKSA-N	-2	0	431.875	2.573	40	10		IFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408896708	556881277	/nfs/dbraw/zinc/88/12/77/556881277.db2.gz	HMULNRULPCNNMR-OVCLIPMQSA-N	-2	0	425.397	2.982	40	10		IFCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C2=O)cc1	ZINC000409188691	556988580	/nfs/dbraw/zinc/98/85/80/556988580.db2.gz	JYGGUUXLUCMGTR-RNEAKCBISA-N	-2	0	433.420	2.962	40	10		IFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000409188895	556988865	/nfs/dbraw/zinc/98/88/65/556988865.db2.gz	BTDQOIAYCFDYMD-FOWTUZBSSA-N	-2	0	425.466	2.799	40	10		IFCBRL
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000409192408	556992138	/nfs/dbraw/zinc/99/21/38/556992138.db2.gz	WWSHRDAWUGKRNE-XNTDXEJSSA-N	-2	0	426.450	2.623	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409241495	557031567	/nfs/dbraw/zinc/03/15/67/557031567.db2.gz	XXNAVPJYVCQOJX-BVRAVYJCSA-N	-2	0	444.440	2.518	40	10		IFCBRL
COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c(N=Nc3ccc(C(=O)[O-])cc3)c2=O)c1	ZINC000102946970	557310609	/nfs/dbraw/zinc/31/06/09/557310609.db2.gz	PBNIYUVSTZBQSO-FYTMPNSFSA-N	-2	0	437.412	2.619	40	10		IFCBRL
Nc1ccc(/N=N\c2c(N)ccc3cc(S(=O)(=O)[O-])cc(O)c32)c(S(=O)(=O)[O-])c1	ZINC000104251349	557323309	/nfs/dbraw/zinc/32/33/09/557323309.db2.gz	VCLBPBRTEMUQBU-VXPUYCOJSA-N	-2	0	438.443	2.619	40	10		IFCBRL
COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc(Cl)c1O	ZINC000036613143	556507523	/nfs/dbraw/zinc/50/75/23/556507523.db2.gz	VFVMFDUPUUNMQL-ISAHRAOESA-N	-2	0	431.875	2.573	40	10		IFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408851076	556870909	/nfs/dbraw/zinc/87/09/09/556870909.db2.gz	HKGDJYXLFMQCRM-OQLLNIDSSA-N	-2	0	425.397	2.928	40	10		IFCBRL
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408904227	556883735	/nfs/dbraw/zinc/88/37/35/556883735.db2.gz	GSSMNDDWWVYGNW-WUXMJOGZSA-N	-2	0	448.254	2.894	40	10		IFCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000409009624	556917344	/nfs/dbraw/zinc/91/73/44/556917344.db2.gz	HADLZXDWNGRNAK-HNEYUBDGSA-N	-2	0	438.436	2.776	40	10		IFCBRL
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1C(=O)[O-]	ZINC000409044361	556930039	/nfs/dbraw/zinc/93/00/39/556930039.db2.gz	BOFHLCMBLFYLBS-ZROIWOOFSA-N	-2	0	445.225	2.822	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)[O-]	ZINC000409046799	556931291	/nfs/dbraw/zinc/93/12/91/556931291.db2.gz	MHBKTFPGHJOWFO-MDWZMJQESA-N	-2	0	444.827	2.787	40	10		IFCBRL
COc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2cccc(C(=O)[O-])c2)c1=O	ZINC000104272631	557323541	/nfs/dbraw/zinc/32/35/41/557323541.db2.gz	HPSURSFLVVBABK-FYTMPNSFSA-N	-2	0	437.412	2.619	40	10		IFCBRL
COc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2cccc(C(=O)[O-])c2)c1=O	ZINC000104272639	557323601	/nfs/dbraw/zinc/32/36/01/557323601.db2.gz	HPSURSFLVVBABK-SMIQVMJNSA-N	-2	0	437.412	2.619	40	10		IFCBRL
COc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2cccc(C(=O)[O-])c2)c1=O	ZINC000104272629	557323613	/nfs/dbraw/zinc/32/36/13/557323613.db2.gz	HPSURSFLVVBABK-QNBCRBJRSA-N	-2	0	437.412	2.619	40	10		IFCBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)c1	ZINC000059250072	557819175	/nfs/dbraw/zinc/81/91/75/557819175.db2.gz	RXCQUHPDZWMSLV-RIYZIHGNSA-N	-2	0	430.869	2.943	40	10		IFCBRL
Nc1ccccc1NN=C1C(=O)c2c(O)cc(S(=O)(=O)[O-])cc2C=C1S(=O)(=O)[O-]	ZINC000003954186	555951438	/nfs/dbraw/zinc/95/14/38/555951438.db2.gz	XLDBFKFFJKGSTN-VHEBQXMUSA-N	-2	0	439.427	2.742	40	10	in-vitro	IFCBRL
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408722866	556150090	/nfs/dbraw/zinc/15/00/90/556150090.db2.gz	NYRLZJMVOIOGIB-LFYBBSHMSA-N	-2	0	448.800	2.693	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408722907	556150288	/nfs/dbraw/zinc/15/02/88/556150288.db2.gz	ODIMPYLWDNBPJX-LFYBBSHMSA-N	-2	0	433.829	2.794	40	10		IFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1O	ZINC000408938598	556897197	/nfs/dbraw/zinc/89/71/97/556897197.db2.gz	LDTCUWUGOYHZBI-NTUHNPAUSA-N	-2	0	430.800	2.809	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409012725	556918724	/nfs/dbraw/zinc/91/87/24/556918724.db2.gz	RNUJZOYJUHBORI-OXFWXOROSA-N	-2	0	444.827	2.867	40	10		IFCBRL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)[O-]	ZINC000409058109	556935193	/nfs/dbraw/zinc/93/51/93/556935193.db2.gz	RGUDNMLQVJYIFD-LCYFTJDESA-N	-2	0	444.827	2.869	40	10		IFCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)c1	ZINC000409194140	556993133	/nfs/dbraw/zinc/99/31/33/556993133.db2.gz	NHEYRMKTSQWDRH-VVBXCHJUSA-N	-2	0	440.477	2.769	40	10		IFCBRL
O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)SC1=S	ZINC000409341259	557068640	/nfs/dbraw/zinc/06/86/40/557068640.db2.gz	APVLGOCFHVMRKK-MLPAPPSSSA-N	-3	0	433.419	2.629	40	10		IFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000104024634	557141605	/nfs/dbraw/zinc/14/16/05/557141605.db2.gz	RDURGUHPDYWEDC-NTUHNPAUSA-N	-2	0	436.848	2.607	40	10		IFCBRL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)[O-]	ZINC000059136094	557815516	/nfs/dbraw/zinc/81/55/16/557815516.db2.gz	KJYYLBUFKBDSRW-XYOKQWHBSA-N	-2	0	430.413	2.969	40	10		IFCBRL
C[C@@H](Oc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)C(=O)[O-]	ZINC000034721124	569260092	/nfs/dbraw/zinc/26/00/92/569260092.db2.gz	NEVORFFATGWIHO-MKVLZVNKSA-N	-2	0	431.242	2.762	40	10		IFCBRL
COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O	ZINC000205691214	569261104	/nfs/dbraw/zinc/26/11/04/569261104.db2.gz	KGDAUMOVNBKYLD-VGOFMYFVSA-N	-2	0	431.378	2.552	40	10		IFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000408816480	556863705	/nfs/dbraw/zinc/86/37/05/556863705.db2.gz	JRYRSLKTLXCKDJ-OQLLNIDSSA-N	-2	0	444.827	2.869	40	10		IFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408854005	556871594	/nfs/dbraw/zinc/87/15/94/556871594.db2.gz	VJOBLHBFZYWOIG-RIYZIHGNSA-N	-2	0	425.397	2.982	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408908825	556887063	/nfs/dbraw/zinc/88/70/63/556887063.db2.gz	DIVDRPKPUQFGLD-WLRTZDKTSA-N	-2	0	448.790	2.618	40	10		IFCBRL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000408960666	556899472	/nfs/dbraw/zinc/89/94/72/556899472.db2.gz	HSFWDLYWOMSQBD-XYOKQWHBSA-N	-2	0	432.186	2.729	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409015056	556920508	/nfs/dbraw/zinc/92/05/08/556920508.db2.gz	ACHZGZIRDXXFPR-BVTUPMQUSA-N	-2	0	440.477	2.687	40	10		IFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)cc1	ZINC000409190119	556991091	/nfs/dbraw/zinc/99/10/91/556991091.db2.gz	KVECLLYGBZNZCG-LFIBNONCSA-N	-2	0	439.468	2.955	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409226940	557014273	/nfs/dbraw/zinc/01/42/73/557014273.db2.gz	NYXFCFLTQSNTDN-SWEABUAFSA-N	-2	0	438.436	2.830	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409228473	557015241	/nfs/dbraw/zinc/01/52/41/557015241.db2.gz	ANZWHZZLQASSSF-DSQDWWTGSA-N	-2	0	438.436	2.830	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409246712	557028283	/nfs/dbraw/zinc/02/82/83/557028283.db2.gz	AQYLPEYRGITJJZ-KBVGCWLLSA-N	-2	0	444.827	2.867	40	10		IFCBRL
COc1ccc(NC(=O)CC(=O)n2[n-]c(C)c(N=Nc3ccc(C(=O)[O-])cc3)c2=O)cc1	ZINC000102946049	557310760	/nfs/dbraw/zinc/31/07/60/557310760.db2.gz	NAWFPOYOMLERBD-SMIQVMJNSA-N	-2	0	437.412	2.619	40	10		IFCBRL
O=C1C=C([O-])C=CC1=NNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21	ZINC000254794127	568644870	/nfs/dbraw/zinc/64/48/70/568644870.db2.gz	BTEWRTUJKSQHIE-UHFFFAOYSA-N	-3	0	440.411	2.865	40	10		IFCBRL
C[C@H](Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000033657003	569259683	/nfs/dbraw/zinc/25/96/83/569259683.db2.gz	ONQBTMYFMIUGIY-BNDQCTAISA-N	-2	0	431.788	2.562	40	10		IFCBRL
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000408741845	556215307	/nfs/dbraw/zinc/21/53/07/556215307.db2.gz	SIWICMFXBOPVRR-IZZDOVSWSA-N	-2	0	432.186	2.729	40	10		IFCBRL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000408902395	556885245	/nfs/dbraw/zinc/88/52/45/556885245.db2.gz	IKWTVAYTGAJLLR-MDWZMJQESA-N	-2	0	432.186	2.729	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409012726	556918735	/nfs/dbraw/zinc/91/87/35/556918735.db2.gz	RNUJZOYJUHBORI-UXYFDLPDSA-N	-2	0	444.827	2.867	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409015057	556920763	/nfs/dbraw/zinc/92/07/63/556920763.db2.gz	ACHZGZIRDXXFPR-RKPNYOAGSA-N	-2	0	440.477	2.687	40	10		IFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)[N-]C2=S)cc1	ZINC000409195502	556993901	/nfs/dbraw/zinc/99/39/01/556993901.db2.gz	VVONYEBZRNNKNO-GZTJUZNOSA-N	-2	0	439.468	2.955	40	10		IFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409216538	557011355	/nfs/dbraw/zinc/01/13/55/557011355.db2.gz	JCXOPVGENWKPSA-IZZDOVSWSA-N	-2	0	431.788	2.937	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409246711	557028170	/nfs/dbraw/zinc/02/81/70/557028170.db2.gz	AQYLPEYRGITJJZ-HGLKBHAMSA-N	-2	0	444.827	2.867	40	10		IFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409243973	557033756	/nfs/dbraw/zinc/03/37/56/557033756.db2.gz	ZXSBRMMZNAIUHM-MPMPPSQCSA-N	-2	0	438.436	2.830	40	10		IFCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409393868	557097880	/nfs/dbraw/zinc/09/78/80/557097880.db2.gz	STTSNYZSOZKZDA-XDHOZWIPSA-N	-2	0	430.420	2.854	40	10		IFCBRL
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2)c(=O)[n-]1	ZINC000104090697	557320137	/nfs/dbraw/zinc/32/01/37/557320137.db2.gz	JTGRMOQVNQJUFW-VXPUYCOJSA-N	-2	0	438.520	2.862	40	10		IFCBRL
COc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2cccc(C(=O)[O-])c2)c1=O	ZINC000104272637	557323530	/nfs/dbraw/zinc/32/35/30/557323530.db2.gz	HPSURSFLVVBABK-OAFDPHIXSA-N	-2	0	437.412	2.619	40	10		IFCBRL
COc1ccccc1NC(=O)CC(=O)n1[n-]c(C)c(N=Nc2ccc(C(=O)[O-])cc2)c1=O	ZINC000104315455	557324876	/nfs/dbraw/zinc/32/48/76/557324876.db2.gz	RNZQNRXGBXKHDZ-OAFDPHIXSA-N	-2	0	437.412	2.619	40	10		IFCBRL
COc1ccc(NC(=O)CC(=O)n2[n-]c(C)c(N=Nc3ccc(C(=O)[O-])cc3)c2=O)cc1	ZINC000104315478	557324940	/nfs/dbraw/zinc/32/49/40/557324940.db2.gz	NAWFPOYOMLERBD-OAFDPHIXSA-N	-2	0	437.412	2.619	40	10		IFCBRL
CCOc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1[O-]	ZINC000059105217	557814581	/nfs/dbraw/zinc/81/45/81/557814581.db2.gz	XJEDISLHSFABGI-AWNIVKPZSA-N	-2	0	441.352	2.935	40	10		IFCBRL
COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000059417343	557822860	/nfs/dbraw/zinc/82/28/60/557822860.db2.gz	PWCCIQSPZFOMCZ-NTEUORMPSA-N	-2	0	445.225	2.822	40	10		IFCBRL
COc1cccc2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)nc21	ZINC000054360836	568940481	/nfs/dbraw/zinc/94/04/81/568940481.db2.gz	BZTJAGAQKCKEPM-OJLMPMFISA-N	-2	0	432.479	2.763	40	10		IFCBRL