smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)NCCC(=O)[O-])C1=O	ZINC000005374989	557648879	/nfs/dbraw/zinc/64/88/79/557648879.db2.gz	CFBBHFHUZYQYGK-CEHLPYKYSA-N	-1	0	404.513	2.815	40	10		HFCBRM
O=C([O-])c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc1	ZINC000005552567	557661365	/nfs/dbraw/zinc/66/13/65/557661365.db2.gz	GEXBFRXDXDNBBS-NTEUORMPSA-N	-1	0	400.437	2.637	40	10		HFCBRM
O=C(Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1[N+](=O)[O-])c1ccco1	ZINC000035361992	557698059	/nfs/dbraw/zinc/69/80/59/557698059.db2.gz	QWKUYJQLEKSSJY-QINSGFPZSA-N	-1	0	419.349	2.868	40	10		HFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1O	ZINC000408692694	557709291	/nfs/dbraw/zinc/70/92/91/557709291.db2.gz	SHUYMOBSJRZZCJ-KPKJPENVSA-N	-1	0	423.263	2.958	40	10		HFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000408724386	557775750	/nfs/dbraw/zinc/77/57/50/557775750.db2.gz	DXFRZBPSWIBSAI-UHFFFAOYSA-N	-1	0	424.453	2.566	40	10		HFCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3O)C2=O)ccc1Br	ZINC000408757373	557818313	/nfs/dbraw/zinc/81/83/13/557818313.db2.gz	ZAVKJFSNYXPPHC-NTUHNPAUSA-N	-1	0	417.215	2.835	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1	ZINC000408801191	560642437	/nfs/dbraw/zinc/64/24/37/560642437.db2.gz	SBGZVQCLKOXXPK-UHFFFAOYSA-N	-1	0	401.762	2.577	40	10		HFCBRM
COC(=O)Cn1c(C)c(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc21	ZINC000409094265	560674653	/nfs/dbraw/zinc/67/46/53/560674653.db2.gz	DBDCJWSAHIHDGN-OQLLNIDSSA-N	-1	0	418.496	2.799	40	10		HFCBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C1=O)OCO2	ZINC000409113156	560678268	/nfs/dbraw/zinc/67/82/68/560678268.db2.gz	GWMMKTMWZDSUMJ-NVNXTCNLSA-N	-1	0	410.451	2.954	40	10		HFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1C[C@@H]1CCCO1	ZINC000409206416	560691130	/nfs/dbraw/zinc/69/11/30/560691130.db2.gz	JHEYSNWASCPJDW-GUBFPNNNSA-N	-1	0	407.470	2.946	40	10		HFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(O)cc1	ZINC000409390574	560718739	/nfs/dbraw/zinc/71/87/39/560718739.db2.gz	FXBBAKVFMVYQIY-XDHOZWIPSA-N	-1	0	402.410	2.861	40	10		HFCBRM
Cc1ccc(OCCOc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000005746145	560738447	/nfs/dbraw/zinc/73/84/47/560738447.db2.gz	BFVMSROYDBKOAG-UHFFFAOYSA-N	-1	0	400.818	2.856	40	10		HFCBRM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OC	ZINC000013343717	560804814	/nfs/dbraw/zinc/80/48/14/560804814.db2.gz	FTYNSKPUQNFXPX-YHYXMXQVSA-N	-1	0	418.290	2.752	40	10		HFCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O	ZINC000100149960	569012448	/nfs/dbraw/zinc/01/24/48/569012448.db2.gz	FVKSMGCGVGWZEW-BMWRIWPGSA-N	-1	0	401.513	2.949	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-]	ZINC000224138620	569284472	/nfs/dbraw/zinc/28/44/72/569284472.db2.gz	PYWMGKWBNJQQHX-MDWZMJQESA-N	-1	0	401.762	2.923	40	10		HFCBRM
COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl	ZINC000033562963	569360145	/nfs/dbraw/zinc/36/01/45/569360145.db2.gz	JOWVFLNSZNFICN-DYTQJMLRSA-N	-1	0	400.818	2.742	40	10		HFCBRM
CC1(C)C[C@@H](O)C[C@](C)(CNC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)C1	ZINC000019832588	569430869	/nfs/dbraw/zinc/43/08/69/569430869.db2.gz	LMGUPZRPNJYARL-ASPMODFSSA-N	-1	0	419.909	2.974	40	10		HFCBRM
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3C)C(=O)[N-]C2=S)cc1	ZINC000408549830	557396700	/nfs/dbraw/zinc/39/67/00/557396700.db2.gz	ZWLZFDPTZPMIBM-MHWRWJLKSA-N	-1	0	412.467	2.852	40	10		HFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccco1	ZINC000005879788	557678777	/nfs/dbraw/zinc/67/87/77/557678777.db2.gz	VUNJHOBREMNVOV-VBKFSLOCSA-N	-1	0	404.378	2.969	40	10		HFCBRM
COc1cc(N2CCCCC2)ccc1/C=C1/C(=O)[N-]C(=O)N(c2cccnc2)C1=O	ZINC000015013900	558701143	/nfs/dbraw/zinc/70/11/43/558701143.db2.gz	QXRVPCVNVFHDBR-PDGQHHTCSA-N	-1	0	406.442	2.747	40	10		HFCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)c(O)c1	ZINC000016678426	558799018	/nfs/dbraw/zinc/79/90/18/558799018.db2.gz	AJYCDYJAHAGTOS-FOWTUZBSSA-N	-1	0	409.442	2.913	40	10		HFCBRM
N=C(N)NS(=O)(=O)c1ccc(NN=C2c3ccccc3C=C(C(=O)[O-])C2=O)cc1	ZINC000104123525	559158126	/nfs/dbraw/zinc/15/81/26/559158126.db2.gz	MUOFBLRJLQRVDM-DQRAZIAOSA-N	-1	0	413.415	2.831	40	10		HFCBRM
CCCC[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374922	560574587	/nfs/dbraw/zinc/57/45/87/560574587.db2.gz	HDAYOYHKJIEBOJ-GWQWUEFDSA-N	-1	0	406.529	2.956	40	10		HFCBRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc2c(c1)OCO2	ZINC000409141372	560683473	/nfs/dbraw/zinc/68/34/73/560683473.db2.gz	VCEXGTZREPMPSY-OMCISZLKSA-N	-1	0	400.412	2.944	40	10		HFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(Cl)cc1OC	ZINC000409393612	560719512	/nfs/dbraw/zinc/71/95/12/560719512.db2.gz	RHOYNRGWOAZPTE-MDWZMJQESA-N	-1	0	401.806	2.809	40	10		HFCBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-]	ZINC000059417351	568705730	/nfs/dbraw/zinc/70/57/30/568705730.db2.gz	BNNLZAISKUAWLJ-RIYZIHGNSA-N	-1	0	414.805	2.981	40	10		HFCBRM
Cc1cc(NC=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1C	ZINC000408526586	557288058	/nfs/dbraw/zinc/28/80/58/557288058.db2.gz	CPPGPHZOGCUAMN-SFQUDFHCSA-N	-1	0	408.414	2.829	40	10		HFCBRM
COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O	ZINC000408528280	557296504	/nfs/dbraw/zinc/29/65/04/557296504.db2.gz	HGZFHKDWHNKQNL-GXDHUFHOSA-N	-1	0	410.386	2.799	40	10		HFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)ccc1OC(C)=O	ZINC000408535305	557330788	/nfs/dbraw/zinc/33/07/88/557330788.db2.gz	NMTOPLRUUVEQEJ-PTNGSMBKSA-N	-1	0	424.409	2.686	40	10		HFCBRM
Cc1cc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1Br	ZINC000408547111	557370168	/nfs/dbraw/zinc/37/01/68/557370168.db2.gz	YWGBRGBBFFTBBR-JYRVWZFOSA-N	-1	0	404.220	2.925	40	10		HFCBRM
CCCCOc1ccc(/C=C2\SC(=S)N([C@H](CO)C(=O)[O-])C2=O)cc1OC	ZINC000005373749	557648316	/nfs/dbraw/zinc/64/83/16/557648316.db2.gz	ZCEIYXANMQLPRS-CDCQXCROSA-N	-1	0	411.501	2.521	40	10		HFCBRM
CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374896	557648667	/nfs/dbraw/zinc/64/86/67/557648667.db2.gz	WZPXEQGGDJHMSL-MJOSUIAZSA-N	-1	0	406.529	2.893	40	10		HFCBRM
Cc1cccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)c1	ZINC000006924258	557730243	/nfs/dbraw/zinc/73/02/43/557730243.db2.gz	UUUBRUWAILMCTE-WQRHYEAKSA-N	-1	0	413.389	2.600	40	10		HFCBRM
COC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000408769373	560638953	/nfs/dbraw/zinc/63/89/53/560638953.db2.gz	SGMXWARHMLQMMK-GZTJUZNOSA-N	-1	0	408.410	2.522	40	10		HFCBRM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c2ccccc21	ZINC000408786079	560641278	/nfs/dbraw/zinc/64/12/78/560641278.db2.gz	LMHLEWXGVLBHLV-WOJGMQOQSA-N	-1	0	417.421	2.789	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Br	ZINC000408815673	560644303	/nfs/dbraw/zinc/64/43/03/560644303.db2.gz	XTWHMNJWUWAKKT-MDWZMJQESA-N	-1	0	417.215	2.830	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc2c1OCO2	ZINC000408966815	560659228	/nfs/dbraw/zinc/65/92/28/560659228.db2.gz	QRHIHOYXFWKKKK-AWNIVKPZSA-N	-1	0	400.774	2.744	40	10		HFCBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)c1	ZINC000409020531	560666709	/nfs/dbraw/zinc/66/67/09/560666709.db2.gz	QFNODVDFXMHIOW-SFQUDFHCSA-N	-1	0	411.483	2.564	40	10		HFCBRM
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)[O-]	ZINC000409083907	560674174	/nfs/dbraw/zinc/67/41/74/560674174.db2.gz	USWOQNSIEUCDSG-LWLPBDFMSA-N	-1	0	423.512	2.929	40	10		HFCBRM
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000409108902	560678897	/nfs/dbraw/zinc/67/88/97/560678897.db2.gz	YTVHJABGWTXWNM-SFQUDFHCSA-N	-1	0	421.453	2.970	40	10		HFCBRM
CCOC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21	ZINC000409204233	560693969	/nfs/dbraw/zinc/69/39/69/560693969.db2.gz	DTCAOMMIXMHTAT-BOPFTXTBSA-N	-1	0	409.442	2.609	40	10		HFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1Br	ZINC000409239173	560699683	/nfs/dbraw/zinc/69/96/83/560699683.db2.gz	CHTNQCWOPSYEHA-MDWZMJQESA-N	-1	0	416.231	2.909	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc(OC)c1O	ZINC000409240514	560699943	/nfs/dbraw/zinc/69/99/43/560699943.db2.gz	LAJMPYYDAFVHBK-YRNVUSSQSA-N	-1	0	418.858	2.894	40	10		HFCBRM
O=C([O-])COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1	ZINC000016906470	560861609	/nfs/dbraw/zinc/86/16/09/560861609.db2.gz	SMFDMGWTXYDROC-XNTDXEJSSA-N	-1	0	414.464	2.696	40	10		HFCBRM
CN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)N(C)C1=S	ZINC000059139700	568701949	/nfs/dbraw/zinc/70/19/49/568701949.db2.gz	URZKHWALLYXVQZ-UHFFFAOYSA-N	-1	0	404.831	2.897	40	10		HFCBRM
COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OC	ZINC000035112860	569360827	/nfs/dbraw/zinc/36/08/27/569360827.db2.gz	BSJSPBMKFJFYGL-ZROIWOOFSA-N	-1	0	403.232	2.928	40	10		HFCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1O	ZINC000009259847	132337656	/nfs/dbraw/zinc/33/76/56/132337656.db2.gz	FETIYUPFNCDKFC-JYRVWZFOSA-N	-1	0	417.215	2.830	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O	ZINC000015219360	132461426	/nfs/dbraw/zinc/46/14/26/132461426.db2.gz	QWKAJNXWSRPKDX-NTUHNPAUSA-N	-1	0	418.858	2.894	40	10		HFCBRM
Cc1c(C)c([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O	ZINC000408528389	557296527	/nfs/dbraw/zinc/29/65/27/557296527.db2.gz	FWZXALDSLBGPHZ-FOWTUZBSSA-N	-1	0	408.414	2.829	40	10		HFCBRM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C	ZINC000408532074	557310537	/nfs/dbraw/zinc/31/05/37/557310537.db2.gz	POICKEAGLMEHOZ-UVTDQMKNSA-N	-1	0	424.392	2.643	40	10		HFCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(OC)cc2OC)C1=O	ZINC000409065631	560672306	/nfs/dbraw/zinc/67/23/06/560672306.db2.gz	JUPDRMGFEKRFDU-RVDMUPIBSA-N	-1	0	412.467	2.934	40	10		HFCBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C1=O)OCO2	ZINC000409072875	560673453	/nfs/dbraw/zinc/67/34/53/560673453.db2.gz	NVUBBAQJSOAVMH-AUWJEWJLSA-N	-1	0	410.451	2.872	40	10		HFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1	ZINC000409093969	560674581	/nfs/dbraw/zinc/67/45/81/560674581.db2.gz	CAOFKPKDXLFAIT-HMMYKYKNSA-N	-1	0	405.454	2.752	40	10		HFCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000409104037	560675566	/nfs/dbraw/zinc/67/55/66/560675566.db2.gz	IFXHINWDMCFNTO-HMMYKYKNSA-N	-1	0	421.522	2.917	40	10		HFCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1	ZINC000409098080	560676254	/nfs/dbraw/zinc/67/62/54/560676254.db2.gz	KATAHNSMEYFCGM-XSFVSMFZSA-N	-1	0	421.453	2.588	40	10		HFCBRM
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)o2)cc1	ZINC000409392103	560719034	/nfs/dbraw/zinc/71/90/34/560719034.db2.gz	LAUKSSSWUPLELC-SFQUDFHCSA-N	-1	0	417.377	2.795	40	10		HFCBRM
CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccncc2)C1=O	ZINC000409392933	560719270	/nfs/dbraw/zinc/71/92/70/560719270.db2.gz	OJCSDSVPWAQPTK-GXDHUFHOSA-N	-1	0	416.231	2.909	40	10		HFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(I)o2)C1=O	ZINC000014132651	560838620	/nfs/dbraw/zinc/83/86/20/560838620.db2.gz	WRMCAEHTMMYYRT-DHZHZOJOSA-N	-1	0	422.178	2.859	40	10		HFCBRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)cc2)s1	ZINC000223420461	568548420	/nfs/dbraw/zinc/54/84/20/568548420.db2.gz	UUGBISVUISNOIC-UHFFFAOYSA-N	-1	0	423.564	2.601	40	10		HFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(C)=O	ZINC000107566496	569352670	/nfs/dbraw/zinc/35/26/70/569352670.db2.gz	ICAYSVPAXLYEFS-BOPFTXTBSA-N	-1	0	408.410	2.985	40	10		HFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(C)=O	ZINC000408531856	557308252	/nfs/dbraw/zinc/30/82/52/557308252.db2.gz	HJTQJIUJQMFPJL-WJDWOHSUSA-N	-1	0	408.410	2.985	40	10		HFCBRM
O=Cc1ccc(/C=C2/SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)cc1	ZINC000005552990	557661618	/nfs/dbraw/zinc/66/16/18/557661618.db2.gz	WMGRDZXULHLXPL-XNTDXEJSSA-N	-1	0	404.494	2.594	40	10		HFCBRM
CC(C)[C@H](NC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000016805936	558807533	/nfs/dbraw/zinc/80/75/33/558807533.db2.gz	OQDPXTKVIZISHN-FZSZEPLDSA-N	-1	0	404.513	2.669	40	10		HFCBRM
O=C([O-])C1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CC1	ZINC000033545316	559209474	/nfs/dbraw/zinc/20/94/74/559209474.db2.gz	JPEDSAOXLAUJAO-RVDMUPIBSA-N	-1	0	422.503	2.740	40	10		HFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OC)C2=O)cc1	ZINC000408801613	560642469	/nfs/dbraw/zinc/64/24/69/560642469.db2.gz	UXPWVABAVSWPSQ-XNTDXEJSSA-N	-1	0	414.801	2.802	40	10		HFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)cc3)C2=O)cc1	ZINC000408813503	560644924	/nfs/dbraw/zinc/64/49/24/560644924.db2.gz	ULAOCNLVBIATNI-QGOAFFKASA-N	-1	0	408.410	2.928	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(O)c1	ZINC000408884723	560649754	/nfs/dbraw/zinc/64/97/54/560649754.db2.gz	YFGKCLRKSYZMEU-RIYZIHGNSA-N	-1	0	417.215	2.830	40	10		HFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OC	ZINC000408916335	560654263	/nfs/dbraw/zinc/65/42/63/560654263.db2.gz	CCPMLDZRJRJLTO-ZSOIEALJSA-N	-1	0	416.430	2.683	40	10		HFCBRM
COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000409089415	560675160	/nfs/dbraw/zinc/67/51/60/560675160.db2.gz	MIRGSJCSBAXOJN-OVCLIPMQSA-N	-1	0	408.501	2.590	40	10		HFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c1	ZINC000409125101	560680861	/nfs/dbraw/zinc/68/08/61/560680861.db2.gz	CAQFJOLOSMSCJR-SFQUDFHCSA-N	-1	0	409.417	2.637	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc(OC)c1O	ZINC000409139758	560683312	/nfs/dbraw/zinc/68/33/12/560683312.db2.gz	ONXTZNVTYIMYKT-RIYZIHGNSA-N	-1	0	412.467	2.858	40	10		HFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)OC(C)C)cc2)C1=O	ZINC000409187075	560687926	/nfs/dbraw/zinc/68/79/26/560687926.db2.gz	LPSIGNWOYZFUFF-LDADJPATSA-N	-1	0	422.437	2.992	40	10		HFCBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)c1	ZINC000409193904	560689906	/nfs/dbraw/zinc/68/99/06/560689906.db2.gz	HJLPYIGLDIEWMG-YBCYLVPRSA-N	-1	0	423.469	2.959	40	10		HFCBRM
COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)o1	ZINC000409227633	560698218	/nfs/dbraw/zinc/69/82/18/560698218.db2.gz	RBSYOGMFMIABOI-GZTJUZNOSA-N	-1	0	417.377	2.795	40	10		HFCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)o2)C1=O	ZINC000409229219	560698405	/nfs/dbraw/zinc/69/84/05/560698405.db2.gz	LMGYOBTXRHEWKB-SDNWHVSQSA-N	-1	0	415.833	2.744	40	10		HFCBRM
O=C([O-])CN1C(=O)/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S	ZINC000409338653	560712688	/nfs/dbraw/zinc/71/26/88/560712688.db2.gz	NSVXGCVDHKGREZ-ZSOIEALJSA-N	-1	0	403.441	2.730	40	10		HFCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O	ZINC000005427295	568443424	/nfs/dbraw/zinc/44/34/24/568443424.db2.gz	FVKSMGCGVGWZEW-LTAXBSGQSA-N	-1	0	401.513	2.949	40	10		HFCBRM
CCOC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000035403177	569360712	/nfs/dbraw/zinc/36/07/12/569360712.db2.gz	FBKKRHJPELHBPT-WJDWOHSUSA-N	-1	0	400.818	2.743	40	10		HFCBRM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OC(=O)c1ccco1	ZINC000013388283	569413265	/nfs/dbraw/zinc/41/32/65/569413265.db2.gz	OEVSYBVLOAMVAM-ZSOIEALJSA-N	-1	0	419.436	2.793	40	10		HFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1C	ZINC000009263178	132337788	/nfs/dbraw/zinc/33/77/88/132337788.db2.gz	GJSMORRPIZOXRQ-ZHZULCJRSA-N	-1	0	405.454	2.806	40	10		HFCBRM
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)c1O	ZINC000005879698	557678733	/nfs/dbraw/zinc/67/87/33/557678733.db2.gz	QDIILQRBOUSZOZ-WZUFQYTHSA-N	-1	0	407.741	2.563	40	10		HFCBRM
CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1O	ZINC000036613187	558726636	/nfs/dbraw/zinc/72/66/36/558726636.db2.gz	GUNYTRIWYRPWTF-BJMVGYQFSA-N	-1	0	418.290	2.839	40	10		HFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC)c3)C2=O)cc1	ZINC000408880238	560649351	/nfs/dbraw/zinc/64/93/51/560649351.db2.gz	GTLIQFJCMIVYLX-QGOAFFKASA-N	-1	0	408.410	2.928	40	10		HFCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000409000382	560663753	/nfs/dbraw/zinc/66/37/53/560663753.db2.gz	SVLGYMQEEZJEJH-QPEQYQDCSA-N	-1	0	402.794	2.747	40	10		HFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(O)cc3)C2=O)cc1	ZINC000409022840	560667080	/nfs/dbraw/zinc/66/70/80/560667080.db2.gz	ULBFRSGYZSKSHB-CPNJWEJPSA-N	-1	0	403.394	2.858	40	10		HFCBRM
COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409064976	560672187	/nfs/dbraw/zinc/67/21/87/560672187.db2.gz	JUGGHTZRMZVHSL-WJDWOHSUSA-N	-1	0	411.483	2.601	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)C(=O)N1	ZINC000409066428	560672408	/nfs/dbraw/zinc/67/24/08/560672408.db2.gz	VNULOUXGLUGGPK-UHFFFAOYSA-N	-1	0	412.764	2.964	40	10		HFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C1=O	ZINC000409148145	560683737	/nfs/dbraw/zinc/68/37/37/560683737.db2.gz	OTCDAJRLPGBGTC-FOWTUZBSSA-N	-1	0	409.417	2.637	40	10		HFCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000409215162	560696792	/nfs/dbraw/zinc/69/67/92/560696792.db2.gz	XRLYENRCZKXGCV-OQLLNIDSSA-N	-1	0	424.409	2.879	40	10		HFCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(C)c2)C(=O)[N-]C1=S	ZINC000409248859	560701979	/nfs/dbraw/zinc/70/19/79/560701979.db2.gz	RTIAPIJKDIVPCL-NBVRZTHBSA-N	-1	0	421.522	2.971	40	10		HFCBRM
COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)o1	ZINC000409394358	560719727	/nfs/dbraw/zinc/71/97/27/560719727.db2.gz	ZIXJMINZMCHVFD-SFQUDFHCSA-N	-1	0	417.377	2.795	40	10		HFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1O	ZINC000059104312	568700311	/nfs/dbraw/zinc/70/03/11/568700311.db2.gz	WINWYMAFHFCPEV-LFYBBSHMSA-N	-1	0	412.354	2.645	40	10		HFCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC)cc3)C(=O)[N-]C2=S)cc1	ZINC000108935862	569353626	/nfs/dbraw/zinc/35/36/26/569353626.db2.gz	LRYDTOAOYUVQJZ-LDADJPATSA-N	-1	0	424.478	2.632	40	10		HFCBRM
COC(=O)[C@@H](C)Oc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000108134365	569361265	/nfs/dbraw/zinc/36/12/65/569361265.db2.gz	GFYRITJVNZKQGO-COOUDCDJSA-N	-1	0	400.818	2.742	40	10		HFCBRM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNNc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1	ZINC000408529194	557294571	/nfs/dbraw/zinc/29/45/71/557294571.db2.gz	HEZQHNJUHNQTCE-MHWRWJLKSA-N	-1	0	409.402	2.603	40	10		HFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3cccc(C)c3)C2=O)cc1	ZINC000408535911	557325495	/nfs/dbraw/zinc/32/54/95/557325495.db2.gz	UOYKUHOIGDTHNB-SFQUDFHCSA-N	-1	0	408.414	2.682	40	10		HFCBRM
CN1C(=O)C(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)N(C)C1=S	ZINC000004723937	557586858	/nfs/dbraw/zinc/58/68/58/557586858.db2.gz	YQMQGQXAEJPSKX-UHFFFAOYSA-N	-1	0	410.451	2.563	40	10		HFCBRM
N=C(N)NS(=O)(=O)c1ccc(NN=C2c3ccccc3C=C(C(=O)[O-])C2=O)cc1	ZINC000004972341	557618681	/nfs/dbraw/zinc/61/86/81/557618681.db2.gz	MUOFBLRJLQRVDM-QURGRASLSA-N	-1	0	413.415	2.831	40	10		HFCBRM
CC[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374978	557648846	/nfs/dbraw/zinc/64/88/46/557648846.db2.gz	LDEORJMMHBUTRR-CJANLCRMSA-N	-1	0	404.513	2.814	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OC	ZINC000408774930	560639435	/nfs/dbraw/zinc/63/94/35/560639435.db2.gz	YYGTVDWRAYKXSS-CXUHLZMHSA-N	-1	0	410.426	2.996	40	10		HFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC	ZINC000408801685	560642477	/nfs/dbraw/zinc/64/24/77/560642477.db2.gz	VFICJVKQBGADBA-OQLLNIDSSA-N	-1	0	411.370	2.669	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)N1	ZINC000408883182	560650029	/nfs/dbraw/zinc/65/00/29/560650029.db2.gz	UBAKVVFGQKYMOB-UHFFFAOYSA-N	-1	0	419.206	2.917	40	10		HFCBRM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408913641	560653645	/nfs/dbraw/zinc/65/36/45/560653645.db2.gz	VURDJKIWFXDKBG-NTUHNPAUSA-N	-1	0	417.874	2.702	40	10		HFCBRM
CN(C)c1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408954020	560657344	/nfs/dbraw/zinc/65/73/44/560657344.db2.gz	QWWSFJBCCGUDTR-GOZVUGRMSA-N	-1	0	405.410	2.704	40	10		HFCBRM
Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000408960283	560657778	/nfs/dbraw/zinc/65/77/78/560657778.db2.gz	KQWNQCDCEMXEOP-WOJGMQOQSA-N	-1	0	419.437	2.990	40	10		HFCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(Br)c(C)c1	ZINC000408998205	560663346	/nfs/dbraw/zinc/66/33/46/560663346.db2.gz	UASGYLDJIJYCAZ-UHFFFAOYSA-N	-1	0	402.248	2.914	40	10		HFCBRM
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3O)C2=O)cc1OC	ZINC000409146268	560684678	/nfs/dbraw/zinc/68/46/78/560684678.db2.gz	KKQGQSBPCDLNKG-FOWTUZBSSA-N	-1	0	410.426	2.852	40	10		HFCBRM
CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(Br)cc1O	ZINC000409340457	560711223	/nfs/dbraw/zinc/71/12/23/560711223.db2.gz	XNOHBHFUFOPUAW-NYYWCZLTSA-N	-1	0	418.290	2.839	40	10		HFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1Br	ZINC000409394102	560719623	/nfs/dbraw/zinc/71/96/23/560719623.db2.gz	VQZXZVKYURLNRE-UKTHLTGXSA-N	-1	0	416.231	2.909	40	10		HFCBRM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl	ZINC000107890043	569361166	/nfs/dbraw/zinc/36/11/66/569361166.db2.gz	XZZQVXUQFPFPHO-GDNBJRDFSA-N	-1	0	400.818	2.743	40	10		HFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(OC)c(Cl)c3)C2=O)cc1	ZINC000408530806	557297632	/nfs/dbraw/zinc/29/76/32/557297632.db2.gz	JPCWDPZLGXJWEW-UVTDQMKNSA-N	-1	0	401.806	2.936	40	10		HFCBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)c1	ZINC000408547050	557369992	/nfs/dbraw/zinc/36/99/92/557369992.db2.gz	HSALUWAYLOTZKT-WQLSENKSSA-N	-1	0	404.220	2.925	40	10		HFCBRM
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C(=O)[O-])C(C)C)C2=O)cc1	ZINC000005374957	557648866	/nfs/dbraw/zinc/64/88/66/557648866.db2.gz	XEBHONSUOOBAIP-DKGMDFAASA-N	-1	0	406.529	2.812	40	10		HFCBRM
O=C([O-])c1cc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)ccc1O	ZINC000002700450	557741722	/nfs/dbraw/zinc/74/17/22/557741722.db2.gz	RMNSPPSKSXBQIW-NTEUORMPSA-N	-1	0	418.452	2.913	40	10		HFCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c(O)c1	ZINC000408741582	557808445	/nfs/dbraw/zinc/80/84/45/557808445.db2.gz	QSPWOPSLQNSZSV-LDADJPATSA-N	-1	0	409.442	2.913	40	10		HFCBRM
NC(=O)CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	ZINC000012273940	558363466	/nfs/dbraw/zinc/36/34/66/558363466.db2.gz	KBONXUHPVACOBV-KMFOOYFMSA-N	-1	0	419.311	2.913	40	10		HFCBRM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(I)o1	ZINC000015013932	558701353	/nfs/dbraw/zinc/70/13/53/558701353.db2.gz	UDEPJIDOLZBNTB-FLIBITNWSA-N	-1	0	414.199	2.679	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc(OC)c1O	ZINC000016195054	558777828	/nfs/dbraw/zinc/77/78/28/558777828.db2.gz	UZRAXGRVKAVYBW-AWNIVKPZSA-N	-1	0	419.231	2.633	40	10		HFCBRM
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)cc(Br)c1[O-]	ZINC000016606769	558796570	/nfs/dbraw/zinc/79/65/70/558796570.db2.gz	XUHWBBMNKLFBAT-JTQLQIEISA-N	-1	0	420.057	2.718	40	10		HFCBRM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000016682827	558799702	/nfs/dbraw/zinc/79/97/02/558799702.db2.gz	DJZLDKLLKKXKPX-PDGQHHTCSA-N	-1	0	408.410	2.603	40	10		HFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)cc1	ZINC000408803287	560642988	/nfs/dbraw/zinc/64/29/88/560642988.db2.gz	NGMPCEOGTSFYLG-NTEUORMPSA-N	-1	0	414.801	2.802	40	10		HFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)cc1	ZINC000408808010	560643573	/nfs/dbraw/zinc/64/35/73/560643573.db2.gz	MAHSICMNCDWWMU-LDADJPATSA-N	-1	0	408.410	2.927	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000408951643	560656956	/nfs/dbraw/zinc/65/69/56/560656956.db2.gz	JLCIJZXMNICDBM-YLTNESKFSA-N	-1	0	407.338	2.546	40	10		HFCBRM
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408997072	560662828	/nfs/dbraw/zinc/66/28/28/560662828.db2.gz	QQCCOYHUKNQJMM-UHFFFAOYSA-N	-1	0	415.833	2.880	40	10		HFCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)c1	ZINC000409189374	560690964	/nfs/dbraw/zinc/69/09/64/560690964.db2.gz	KHJAJHVHOBRDKY-HNEYUBDGSA-N	-1	0	424.409	2.604	40	10		HFCBRM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12	ZINC000409239082	560699674	/nfs/dbraw/zinc/69/96/74/560699674.db2.gz	GFXBJATWZFFZRO-MKMNVTDBSA-N	-1	0	411.215	2.992	40	10		HFCBRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCC(C)CC3)cc2)s1	ZINC000224494615	568582794	/nfs/dbraw/zinc/58/27/94/568582794.db2.gz	DXYNFIMUKPOHIY-ZDUSSCGKSA-N	-1	0	423.564	2.772	40	10		HFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)c(OC)c3)C2=O)cc1	ZINC000408535876	557325400	/nfs/dbraw/zinc/32/54/00/557325400.db2.gz	UIIOQJMKJFVSGK-UVTDQMKNSA-N	-1	0	401.806	2.936	40	10		HFCBRM
CCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374953	557648699	/nfs/dbraw/zinc/64/86/99/557648699.db2.gz	MVIUSXRYOBHJJL-AYYGCFCKSA-N	-1	0	406.529	2.956	40	10		HFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C(=O)[O-])C(C)C)C2=O)cc1	ZINC000008870105	557812689	/nfs/dbraw/zinc/81/26/89/557812689.db2.gz	HEBCSOPWFCGOBY-DKGMDFAASA-N	-1	0	422.528	2.512	40	10		HFCBRM
CCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)[O-]	ZINC000008870095	557812692	/nfs/dbraw/zinc/81/26/92/557812692.db2.gz	IIQDAZUCAOURAC-AYYGCFCKSA-N	-1	0	422.528	2.656	40	10		HFCBRM
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)S1	ZINC000408758628	559271354	/nfs/dbraw/zinc/27/13/54/559271354.db2.gz	OEDCICFSSJOAHP-SXGWCWSVSA-N	-1	0	411.395	2.920	40	10		HFCBRM
COC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000408842807	560646229	/nfs/dbraw/zinc/64/62/29/560646229.db2.gz	BRMQVHFZYVJREQ-GZTJUZNOSA-N	-1	0	408.410	2.522	40	10		HFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(O)ccc4ccccc43)C2=O)cc1	ZINC000408882607	560650012	/nfs/dbraw/zinc/65/00/12/560650012.db2.gz	PICKFVJXSFCLJZ-LDADJPATSA-N	-1	0	416.389	2.998	40	10		HFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1	ZINC000408896994	560651558	/nfs/dbraw/zinc/65/15/58/560651558.db2.gz	POGWGHPSLXAKOR-XNTDXEJSSA-N	-1	0	414.801	2.889	40	10		HFCBRM
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O	ZINC000409066333	560672422	/nfs/dbraw/zinc/67/24/22/560672422.db2.gz	BVIPJIFWRMTKGW-XDHOZWIPSA-N	-1	0	409.417	2.637	40	10		HFCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)[N-]C2=S)cc1	ZINC000409070671	560673247	/nfs/dbraw/zinc/67/32/47/560673247.db2.gz	GIMGDPFJALYLEC-XSFVSMFZSA-N	-1	0	421.522	2.971	40	10		HFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c1C	ZINC000409134272	560682187	/nfs/dbraw/zinc/68/21/87/560682187.db2.gz	NYVMLNYNRZDAQP-SFQUDFHCSA-N	-1	0	423.444	2.946	40	10		HFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C1=O	ZINC000409144734	560684398	/nfs/dbraw/zinc/68/43/98/560684398.db2.gz	PQTYNFJQCILONR-GHRIWEEISA-N	-1	0	423.444	2.891	40	10		HFCBRM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccccc3Cl)C1=O)OCO2	ZINC000409240101	560699920	/nfs/dbraw/zinc/69/99/20/560699920.db2.gz	JPRFKFBLPDJLHJ-IZZDOVSWSA-N	-1	0	416.842	2.909	40	10		HFCBRM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(OC)c1	ZINC000409239976	560699981	/nfs/dbraw/zinc/69/99/81/560699981.db2.gz	IVFNMMUQZCZOBT-RVDMUPIBSA-N	-1	0	412.467	2.852	40	10		HFCBRM
CCN1C(=O)[N-]C(=O)/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C1=O	ZINC000006517615	560744002	/nfs/dbraw/zinc/74/40/02/560744002.db2.gz	HWVKYFWFFOPWBG-QGOAFFKASA-N	-1	0	422.485	2.526	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc2sc(=O)oc21	ZINC000013635688	560825802	/nfs/dbraw/zinc/82/58/02/560825802.db2.gz	OSEZHGNDVGKLNT-LFYBBSHMSA-N	-1	0	402.815	2.978	40	10		HFCBRM
CCN(CC)c1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1	ZINC000012411705	568715478	/nfs/dbraw/zinc/71/54/78/568715478.db2.gz	JHCNUZIPVVBKRA-SDNWHVSQSA-N	-1	0	400.547	2.622	40	10		HFCBRM
O=C([O-])CN1C(=O)/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC1=S	ZINC000256055574	568774935	/nfs/dbraw/zinc/77/49/35/568774935.db2.gz	LTTFZVKPSKULDE-BASWHVEKSA-N	-1	0	408.844	2.903	40	10		HFCBRM
Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(CO)c2)c2c1C(=O)c1ccccc1C2=O	ZINC000004824625	557603300	/nfs/dbraw/zinc/60/33/00/557603300.db2.gz	UDDQNNULYINZJP-UHFFFAOYSA-N	-1	0	424.434	2.527	40	10		HFCBRM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1	ZINC000005333976	557645401	/nfs/dbraw/zinc/64/54/01/557645401.db2.gz	ATZWJHWFZCMVIA-VGOFMYFVSA-N	-1	0	414.801	2.707	40	10		HFCBRM
O=C([O-])[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	ZINC000033542238	559208735	/nfs/dbraw/zinc/20/87/35/559208735.db2.gz	FYWZVUFKOHWPBX-XDPMZMSMSA-N	-1	0	422.503	2.883	40	10		HFCBRM
CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000002126786	560559188	/nfs/dbraw/zinc/55/91/88/560559188.db2.gz	KEVADGFSYVXQTA-XYOKQWHBSA-N	-1	0	404.831	2.945	40	10		HFCBRM
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)[O-]	ZINC000409090669	560675342	/nfs/dbraw/zinc/67/53/42/560675342.db2.gz	NAXKTONILGLQKM-PWDRSIHYSA-N	-1	0	409.485	2.539	40	10		HFCBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccccc3F)C1=O)OCO2	ZINC000409096686	560675830	/nfs/dbraw/zinc/67/58/30/560675830.db2.gz	KQPUAAVQCVNBGZ-GHXNOFRVSA-N	-1	0	414.414	2.784	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1Br	ZINC000409373957	560717007	/nfs/dbraw/zinc/71/70/07/560717007.db2.gz	XGLVPMOEPFVIQL-KPKJPENVSA-N	-1	0	405.204	2.713	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000409390462	560718720	/nfs/dbraw/zinc/71/87/20/560718720.db2.gz	FPQOTHHSEQSKDL-LFIBNONCSA-N	-1	0	404.338	2.916	40	10		HFCBRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCCCC3)cc2)s1	ZINC000222736955	568525096	/nfs/dbraw/zinc/52/50/96/568525096.db2.gz	BHFZILBMIOAEDU-ZDUSSCGKSA-N	-1	0	423.564	2.916	40	10		HFCBRM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1	ZINC000223281073	568543938	/nfs/dbraw/zinc/54/39/38/568543938.db2.gz	MYRIWMCNZWZMGR-UHFFFAOYSA-N	-1	0	403.485	2.736	40	10		HFCBRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCCCC3)cc2)s1	ZINC000225876095	568682939	/nfs/dbraw/zinc/68/29/39/568682939.db2.gz	QNOSTHOPFYOQNC-LBPRGKRZSA-N	-1	0	409.537	2.526	40	10		HFCBRM
CC1(C)C[C@H](O)C[C@@](C)(CNC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)C1	ZINC000006232515	569033750	/nfs/dbraw/zinc/03/37/50/569033750.db2.gz	LMGUPZRPNJYARL-HFHGARRFSA-N	-1	0	419.909	2.974	40	10		HFCBRM
CCOC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC	ZINC000033633340	569360234	/nfs/dbraw/zinc/36/02/34/569360234.db2.gz	KUGLCZWYCAYHLD-QLENYVDCSA-N	-1	0	424.453	2.877	40	10		HFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(O)c1OC	ZINC000009259371	132337698	/nfs/dbraw/zinc/33/76/98/132337698.db2.gz	YOSTXXGDAKORHY-QPEQYQDCSA-N	-1	0	418.858	2.894	40	10		HFCBRM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C1=O)OCO2	ZINC000001125284	536888638	/nfs/dbraw/zinc/88/86/38/536888638.db2.gz	ABDYBZXPCVEXTB-VGOFMYFVSA-N	-1	0	410.451	2.872	40	10		HFCBRM
CCC(=O)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OC	ZINC000408537086	557336925	/nfs/dbraw/zinc/33/69/25/557336925.db2.gz	UMJIXGOGSLBYGL-PTNGSMBKSA-N	-1	0	408.410	2.985	40	10		HFCBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccc1Br	ZINC000408589573	557494325	/nfs/dbraw/zinc/49/43/25/557494325.db2.gz	DUZRTYHJHTZANL-RIYZIHGNSA-N	-1	0	418.247	2.834	40	10		HFCBRM
O=C([O-])CCCNC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S	ZINC000012032600	558311634	/nfs/dbraw/zinc/31/16/34/558311634.db2.gz	OXIJYORMADDXHY-XRCNLDATSA-N	-1	0	404.513	2.815	40	10		HFCBRM
CC(C)[C@@H](NC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000016805934	558807547	/nfs/dbraw/zinc/80/75/47/558807547.db2.gz	OQDPXTKVIZISHN-BVTDAEAYSA-N	-1	0	404.513	2.669	40	10		HFCBRM
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=Cc1c([O-])[nH]c(=O)[nH]c1=O	ZINC000017837565	558828263	/nfs/dbraw/zinc/82/82/63/558828263.db2.gz	CSOKROTVCNGJPA-QPJJXVBHSA-N	-1	0	415.620	2.535	40	10		HFCBRM
O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S	ZINC000033526744	559203046	/nfs/dbraw/zinc/20/30/46/559203046.db2.gz	GEAHNZQFDYTOAS-OVCLIPMQSA-N	-1	0	414.464	2.930	40	10		HFCBRM
CC[C@H](C)[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374933	560574664	/nfs/dbraw/zinc/57/46/64/560574664.db2.gz	UWBNFHKZXMTDRN-HZNNPKNDSA-N	-1	0	406.529	2.812	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Br)cc2)C(=O)N1	ZINC000408805051	560643230	/nfs/dbraw/zinc/64/32/30/560643230.db2.gz	CSVUHVWYLRSVND-UHFFFAOYSA-N	-1	0	401.216	2.778	40	10		HFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1	ZINC000408817586	560644664	/nfs/dbraw/zinc/64/46/64/560644664.db2.gz	VWIHEXHQALQKLO-SFQUDFHCSA-N	-1	0	408.410	2.927	40	10		HFCBRM
CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408814238	560645031	/nfs/dbraw/zinc/64/50/31/560645031.db2.gz	ONBCKQIBSFMLBL-CXUHLZMHSA-N	-1	0	411.370	2.669	40	10		HFCBRM
COc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cccc1[N+](=O)[O-]	ZINC000408897990	560651606	/nfs/dbraw/zinc/65/16/06/560651606.db2.gz	KEJZSHNCRTVAIF-UKTHLTGXSA-N	-1	0	401.762	2.923	40	10		HFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c(OC)c1	ZINC000408961415	560658158	/nfs/dbraw/zinc/65/81/58/560658158.db2.gz	SRWCBTVYHOSYDV-QGOAFFKASA-N	-1	0	421.453	2.970	40	10		HFCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000409011222	560665511	/nfs/dbraw/zinc/66/55/11/560665511.db2.gz	MXGPPRLEEBEWBU-RVDMUPIBSA-N	-1	0	417.874	2.601	40	10		HFCBRM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(OC)c1	ZINC000409023900	560667284	/nfs/dbraw/zinc/66/72/84/560667284.db2.gz	MIIDPXVAMYZFCA-XNTDXEJSSA-N	-1	0	416.430	2.683	40	10		HFCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)[N-]C1=S	ZINC000409108705	560678885	/nfs/dbraw/zinc/67/88/85/560678885.db2.gz	YTVXFBLFEUUHSB-NBVRZTHBSA-N	-1	0	407.495	2.663	40	10		HFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)cc1	ZINC000409147070	560683577	/nfs/dbraw/zinc/68/35/77/560683577.db2.gz	URWXTYXCKYLWFH-SFQUDFHCSA-N	-1	0	409.417	2.637	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1	ZINC000409217612	560697576	/nfs/dbraw/zinc/69/75/76/560697576.db2.gz	QTIYBMRFICUHDA-QGOAFFKASA-N	-1	0	406.398	2.861	40	10		HFCBRM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1Br	ZINC000409229551	560698540	/nfs/dbraw/zinc/69/85/40/560698540.db2.gz	QYBJEMZUDNLGIW-JYRVWZFOSA-N	-1	0	415.247	2.577	40	10		HFCBRM
Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)cc1C	ZINC000006184533	132309530	/nfs/dbraw/zinc/30/95/30/132309530.db2.gz	AAZAJKAXRNLMBG-ZHZULCJRSA-N	-1	0	421.522	2.971	40	10		HFCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c1	ZINC000009260134	132337772	/nfs/dbraw/zinc/33/77/72/132337772.db2.gz	XHEFHKMTAPAFBL-PDGQHHTCSA-N	-1	0	423.444	2.946	40	10		HFCBRM
Cc1cc([N+](=O)[O-])c(C)cc1NC=C1C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O	ZINC000408539673	557359700	/nfs/dbraw/zinc/35/97/00/557359700.db2.gz	XYDZMNABCLGHFU-FOWTUZBSSA-N	-1	0	408.414	2.829	40	10		HFCBRM
COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000013546652	558538075	/nfs/dbraw/zinc/53/80/75/558538075.db2.gz	MBVGRMNZPDJDDB-ZROIWOOFSA-N	-1	0	401.375	2.574	40	10		HFCBRM
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)cc(Br)c1[O-]	ZINC000016606766	558796608	/nfs/dbraw/zinc/79/66/08/558796608.db2.gz	XUHWBBMNKLFBAT-SNVBAGLBSA-N	-1	0	420.057	2.718	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2Cc2cccc(F)c2)C(=O)N1	ZINC000408874321	560649238	/nfs/dbraw/zinc/64/92/38/560649238.db2.gz	BFESGQYXBGYOJN-UHFFFAOYSA-N	-1	0	403.207	2.928	40	10		HFCBRM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000408901745	560651458	/nfs/dbraw/zinc/65/14/58/560651458.db2.gz	ZQWPATHZDRLMGT-CXUHLZMHSA-N	-1	0	410.426	2.996	40	10		HFCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1OC	ZINC000408917155	560653506	/nfs/dbraw/zinc/65/35/06/560653506.db2.gz	NYVUECYSQJVKAM-UVTDQMKNSA-N	-1	0	416.430	2.683	40	10		HFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OCC)c1	ZINC000408957044	560657847	/nfs/dbraw/zinc/65/78/47/560657847.db2.gz	ZVTGLPSOWLMWMY-CXUHLZMHSA-N	-1	0	424.409	2.879	40	10		HFCBRM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)[N-]C1=S	ZINC000409011560	560665498	/nfs/dbraw/zinc/66/54/98/560665498.db2.gz	HWDFYTBYYPDXTP-DTQAZKPQSA-N	-1	0	411.483	2.510	40	10		HFCBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3cccc(C)c3)C1=O)OCO2	ZINC000409084245	560674139	/nfs/dbraw/zinc/67/41/39/560674139.db2.gz	CDZNMWUOKQMEKX-NVNXTCNLSA-N	-1	0	410.451	2.954	40	10		HFCBRM
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000409185185	560688916	/nfs/dbraw/zinc/68/89/16/560688916.db2.gz	TZCQRRHCOPOLAK-LDADJPATSA-N	-1	0	408.410	2.683	40	10		HFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1	ZINC000409215589	560696977	/nfs/dbraw/zinc/69/69/77/560696977.db2.gz	BWVDHYRYYRYFBT-XMHGGMMESA-N	-1	0	419.437	2.740	40	10		HFCBRM
CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccnc2)C1=O	ZINC000409230028	560700028	/nfs/dbraw/zinc/70/00/28/560700028.db2.gz	AVPBSBXZEFLQSK-NTEUORMPSA-N	-1	0	416.231	2.909	40	10		HFCBRM
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccncc2)C1=O	ZINC000409395355	560721052	/nfs/dbraw/zinc/72/10/52/560721052.db2.gz	MQHMNQNOVJGFBG-QGOAFFKASA-N	-1	0	406.442	2.747	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccccc1N1CCOCC1	ZINC000059104595	568700584	/nfs/dbraw/zinc/70/05/84/568700584.db2.gz	WLSJFVLMSXWEOS-WJDWOHSUSA-N	-1	0	421.409	2.759	40	10		HFCBRM
Cc1cc(Br)ccc1NC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000109091032	569353700	/nfs/dbraw/zinc/35/37/00/569353700.db2.gz	LNKJQXVEFYBGDG-JYRVWZFOSA-N	-1	0	404.220	2.925	40	10		HFCBRM
Cc1ccc(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc1C	ZINC000408526164	557287357	/nfs/dbraw/zinc/28/73/57/557287357.db2.gz	ABNHOKOCLYEKNV-QGOAFFKASA-N	-1	0	406.442	2.630	40	10		HFCBRM
CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408530230	557298071	/nfs/dbraw/zinc/29/80/71/557298071.db2.gz	LLBBUAMKUODRKR-YHYXMXQVSA-N	-1	0	418.290	2.800	40	10		HFCBRM
Cc1cc(/C=C2\NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(Br)cc1	ZINC000408587343	557490570	/nfs/dbraw/zinc/49/05/70/557490570.db2.gz	BOCXOFGUXBAYNY-NVNXTCNLSA-N	-1	0	418.247	2.834	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC	ZINC000408766755	560630049	/nfs/dbraw/zinc/63/00/49/560630049.db2.gz	GBKBEWIZCYNZSC-CXUHLZMHSA-N	-1	0	410.426	2.996	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	ZINC000408945090	560656526	/nfs/dbraw/zinc/65/65/26/560656526.db2.gz	VVMOSMQQSGVJBU-MDWZMJQESA-N	-1	0	401.762	2.923	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)c(C)c1	ZINC000409095110	560674761	/nfs/dbraw/zinc/67/47/61/560674761.db2.gz	HFQKITUOLRMWFX-MHWRWJLKSA-N	-1	0	412.467	2.852	40	10		HFCBRM
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)[O-]	ZINC000409090668	560675286	/nfs/dbraw/zinc/67/52/86/560675286.db2.gz	NAXKTONILGLQKM-IYVNWDGISA-N	-1	0	409.485	2.539	40	10		HFCBRM
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C(=O)NC1=S	ZINC000409392046	560719042	/nfs/dbraw/zinc/71/90/42/560719042.db2.gz	NJMRAOXZXKLHRC-MHWRWJLKSA-N	-1	0	411.483	2.747	40	10		HFCBRM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1Br	ZINC000409396029	560721173	/nfs/dbraw/zinc/72/11/73/560721173.db2.gz	VNHUIWSCQCZQBK-LCYFTJDESA-N	-1	0	415.247	2.577	40	10		HFCBRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCC[C@@H](C)C3)cc2)s1	ZINC000224398593	568580242	/nfs/dbraw/zinc/58/02/42/568580242.db2.gz	QZMIGYHCZAZAJE-CYBMUJFWSA-N	-1	0	423.564	2.601	40	10		HFCBRM
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000059139640	568701655	/nfs/dbraw/zinc/70/16/55/568701655.db2.gz	NAJHOVMTCXBLTN-UHFFFAOYSA-N	-1	0	411.483	2.699	40	10		HFCBRM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I	ZINC000107700203	569360879	/nfs/dbraw/zinc/36/08/79/569360879.db2.gz	HNHBUROSHXZGBF-LCYFTJDESA-N	-1	0	420.206	2.761	40	10		HFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(I)o3)C2=O)c1	ZINC000001202379	132242153	/nfs/dbraw/zinc/24/21/53/132242153.db2.gz	WGOUPSQLFOHMFV-XYOKQWHBSA-N	-1	0	422.178	2.859	40	10		HFCBRM
COc1cccc(C=C2SC(NN=c3[nH]c(C)c(C(C)=O)s3)=NC2=O)c1O	ZINC000003593517	557494087	/nfs/dbraw/zinc/49/40/87/557494087.db2.gz	VDFVWDUGQMWNGL-GHXNOFRVSA-N	-1	0	404.473	2.955	40	10		HFCBRM
CCc1nnc(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)[O-])o1	ZINC000408631338	557570108	/nfs/dbraw/zinc/57/01/08/557570108.db2.gz	HSQVTLQZVOGORP-RVDMUPIBSA-N	-1	0	419.463	2.510	40	10		HFCBRM
CCCc1nc(SC(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408631414	557570119	/nfs/dbraw/zinc/57/01/19/557570119.db2.gz	IOLIDAUWOUBJOI-RVDMUPIBSA-N	-1	0	419.463	2.720	40	10		HFCBRM
O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000005371931	557647924	/nfs/dbraw/zinc/64/79/24/557647924.db2.gz	HBHAVAKWHZVKPH-YFHOEESVSA-N	-1	0	408.320	2.538	40	10		HFCBRM
O=S(=O)([N-]c1ncccn1)c1ccc(/N=N/Sc2ncnc3[nH]cnc32)cc1	ZINC000017429690	558827491	/nfs/dbraw/zinc/82/74/91/558827491.db2.gz	OAJOBYKZDAPCKF-ZNTNEXAZSA-N	-1	0	413.448	2.735	40	10		HFCBRM
CCCC[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374923	560574582	/nfs/dbraw/zinc/57/45/82/560574582.db2.gz	HDAYOYHKJIEBOJ-MFYHJKBNSA-N	-1	0	406.529	2.956	40	10		HFCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1	ZINC000408813751	560644909	/nfs/dbraw/zinc/64/49/09/560644909.db2.gz	YLADCOZJELHSDS-QGOAFFKASA-N	-1	0	408.410	2.928	40	10		HFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1Cc1ccccc1Br	ZINC000408876876	560649485	/nfs/dbraw/zinc/64/94/85/560649485.db2.gz	ONQWABWHTJWGEL-UHFFFAOYSA-N	-1	0	415.243	2.798	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)cs1	ZINC000408955172	560657467	/nfs/dbraw/zinc/65/74/67/560657467.db2.gz	TUYJLSOLHMVFMT-VZUCSPMQSA-N	-1	0	421.228	2.906	40	10		HFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)cc2)C1=O	ZINC000409105004	560677393	/nfs/dbraw/zinc/67/73/93/560677393.db2.gz	HLDRNNFXSPIHBE-XDJHFCHBSA-N	-1	0	405.454	2.752	40	10		HFCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000409106299	560678522	/nfs/dbraw/zinc/67/85/22/560678522.db2.gz	REEOGZGYFWACQK-XMHGGMMESA-N	-1	0	421.522	2.971	40	10		HFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1	ZINC000409186342	560689030	/nfs/dbraw/zinc/68/90/30/560689030.db2.gz	ARQCXXINAIAPGO-XDHOZWIPSA-N	-1	0	422.437	2.992	40	10		HFCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)c1	ZINC000409236400	560699157	/nfs/dbraw/zinc/69/91/57/560699157.db2.gz	FUNWIBBPJYTHDJ-FOWTUZBSSA-N	-1	0	411.483	2.564	40	10		HFCBRM
COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OC	ZINC000006735615	569360039	/nfs/dbraw/zinc/36/00/39/569360039.db2.gz	BSJSPBMKFJFYGL-NTEUORMPSA-N	-1	0	403.232	2.928	40	10		HFCBRM
CC1(C)C[C@H](O)C[C@](C)(CNC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)C1	ZINC000019832589	569430924	/nfs/dbraw/zinc/43/09/24/569430924.db2.gz	LMGUPZRPNJYARL-QUJIEGTPSA-N	-1	0	419.909	2.974	40	10		HFCBRM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)o1	ZINC000001183985	557232682	/nfs/dbraw/zinc/23/26/82/557232682.db2.gz	PQUWTLKTCRGHCP-LCYFTJDESA-N	-1	0	404.220	2.775	40	10		HFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OC	ZINC000408692142	557707917	/nfs/dbraw/zinc/70/79/17/557707917.db2.gz	FFXSWLFAOZJMBF-GHXNOFRVSA-N	-1	0	423.263	2.871	40	10		HFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1O	ZINC000408695709	557710119	/nfs/dbraw/zinc/71/01/19/557710119.db2.gz	XOUVBRHMBYIWCI-KPKJPENVSA-N	-1	0	423.263	2.958	40	10		HFCBRM
CSCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000008870068	557812679	/nfs/dbraw/zinc/81/26/79/557812679.db2.gz	KARHBHUZLYIZQU-MBFWDRTGSA-N	-1	0	424.569	2.600	40	10		HFCBRM
CSCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000008870067	557812713	/nfs/dbraw/zinc/81/27/13/557812713.db2.gz	KARHBHUZLYIZQU-UQRISPGASA-N	-1	0	424.569	2.600	40	10		HFCBRM
COc1ccc(-c2cn[n-]c(=NNC=C3C(C)=NN(c4ccccc4)C3=O)n2)cc1	ZINC000015016953	558702694	/nfs/dbraw/zinc/70/26/94/558702694.db2.gz	IPEIRWPDBLCTFE-PDGQHHTCSA-N	-1	0	401.430	2.770	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OC(C)=O	ZINC000408778602	560640798	/nfs/dbraw/zinc/64/07/98/560640798.db2.gz	IGOGLRIXGBBNEK-LICLKQGHSA-N	-1	0	408.410	2.904	40	10		HFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	ZINC000408805959	560643353	/nfs/dbraw/zinc/64/33/53/560643353.db2.gz	DASNXCKTPMQMQT-OQLLNIDSSA-N	-1	0	411.370	2.669	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(Br)c1	ZINC000408951935	560657438	/nfs/dbraw/zinc/65/74/38/560657438.db2.gz	MXOSBOHDYDFSHD-NTUHNPAUSA-N	-1	0	415.199	2.844	40	10		HFCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)cc1C	ZINC000409019563	560667416	/nfs/dbraw/zinc/66/74/16/560667416.db2.gz	JTOVDRBQNSTCJI-SFQUDFHCSA-N	-1	0	411.483	2.564	40	10		HFCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2C)C(=O)[N-]C1=S	ZINC000409071839	560673381	/nfs/dbraw/zinc/67/33/81/560673381.db2.gz	LRUFHBOMMJSLJL-XMHGGMMESA-N	-1	0	421.522	2.971	40	10		HFCBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C1=O)OCO2	ZINC000409083474	560674061	/nfs/dbraw/zinc/67/40/61/560674061.db2.gz	ATIHATWEKPAWFE-CHHVJCJISA-N	-1	0	410.451	2.872	40	10		HFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409096610	560675881	/nfs/dbraw/zinc/67/58/81/560675881.db2.gz	DTGJFYCSWZBKDZ-KPKJPENVSA-N	-1	0	418.858	2.894	40	10		HFCBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C1=O)OCO2	ZINC000409105938	560678519	/nfs/dbraw/zinc/67/85/19/560678519.db2.gz	PLVFJKAGSIUAJQ-MLPAPPSSSA-N	-1	0	416.842	2.909	40	10		HFCBRM
O=C([O-])COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O	ZINC000016909871	560861566	/nfs/dbraw/zinc/86/15/66/560861566.db2.gz	KTNQDOMOQIMZMR-XNTDXEJSSA-N	-1	0	414.464	2.696	40	10		HFCBRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)s1	ZINC000224606990	568587790	/nfs/dbraw/zinc/58/77/90/568587790.db2.gz	BCCOYIOTTKPKOW-UHFFFAOYSA-N	-1	0	416.484	2.918	40	10		HFCBRM
CCC(=O)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1OC	ZINC000108193661	569353485	/nfs/dbraw/zinc/35/34/85/569353485.db2.gz	NSVYSLGCGHTRDK-KAMYIIQDSA-N	-1	0	424.409	2.686	40	10		HFCBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc(C)c(C)c([N+](=O)[O-])c2)C1=O	ZINC000408528989	557293979	/nfs/dbraw/zinc/29/39/79/557293979.db2.gz	GPPMPUHCACXLBC-GXDHUFHOSA-N	-1	0	410.386	2.799	40	10		HFCBRM
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C	ZINC000408536706	557334379	/nfs/dbraw/zinc/33/43/79/557334379.db2.gz	XLZDRSFQMBRRMK-PTNGSMBKSA-N	-1	0	420.429	2.812	40	10		HFCBRM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C\c3ccc(C=O)cc3)SC2=S)cc1	ZINC000008870226	557812682	/nfs/dbraw/zinc/81/26/82/557812682.db2.gz	BZEPIQQPFYJREM-MHWRWJLKSA-N	-1	0	418.521	2.902	40	10		HFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)C2=O)cc1	ZINC000008870106	557812709	/nfs/dbraw/zinc/81/27/09/557812709.db2.gz	HEBCSOPWFCGOBY-HFQYIWAZSA-N	-1	0	422.528	2.512	40	10		HFCBRM
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=Cc1c([O-])[nH]c(=O)[nH]c1=O	ZINC000100947789	559142173	/nfs/dbraw/zinc/14/21/73/559142173.db2.gz	CSOKROTVCNGJPA-DAXSKMNVSA-N	-1	0	415.620	2.535	40	10		HFCBRM
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000033585269	559216230	/nfs/dbraw/zinc/21/62/30/559216230.db2.gz	RPKPCZUDZKOHDP-PFMRQGHBSA-N	-1	0	418.452	2.912	40	10		HFCBRM
COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)c(OC)cc1Cl	ZINC000408785422	560641485	/nfs/dbraw/zinc/64/14/85/560641485.db2.gz	ZFNBXFRUMZRRCN-KPKJPENVSA-N	-1	0	402.790	2.729	40	10		HFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC)C2=O)cc1	ZINC000408801572	560642449	/nfs/dbraw/zinc/64/24/49/560642449.db2.gz	VYRNNLFXHDAIPE-GHRIWEEISA-N	-1	0	408.410	2.928	40	10		HFCBRM
COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408805195	560643294	/nfs/dbraw/zinc/64/32/94/560643294.db2.gz	JMAQPRZUOPBXNK-NTEUORMPSA-N	-1	0	417.215	2.830	40	10		HFCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-]	ZINC000408918696	560654581	/nfs/dbraw/zinc/65/45/81/560654581.db2.gz	NWCHFGUFLDMCAF-JYRVWZFOSA-N	-1	0	401.375	2.574	40	10		HFCBRM
COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)c2C)cc1Cl	ZINC000408991188	560662286	/nfs/dbraw/zinc/66/22/86/560662286.db2.gz	NGIPLJACEFJEAF-NVNXTCNLSA-N	-1	0	415.833	2.626	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(OC)c1OC	ZINC000409023527	560667249	/nfs/dbraw/zinc/66/72/49/560667249.db2.gz	XXNCKLIMYHAWHM-NTEUORMPSA-N	-1	0	416.430	2.683	40	10		HFCBRM
COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000409129571	560681550	/nfs/dbraw/zinc/68/15/50/560681550.db2.gz	HDUZYAYYUXVSIH-YBEGLDIGSA-N	-1	0	412.423	2.559	40	10		HFCBRM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1	ZINC000409208927	560692005	/nfs/dbraw/zinc/69/20/05/560692005.db2.gz	DISLZGDJXDVAFT-LDADJPATSA-N	-1	0	406.398	2.861	40	10		HFCBRM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1ccncc1	ZINC000409341285	560711422	/nfs/dbraw/zinc/71/14/22/560711422.db2.gz	AWLLVQMLPGEDHK-SXGWCWSVSA-N	-1	0	416.480	2.955	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000409389518	560720466	/nfs/dbraw/zinc/72/04/66/560720466.db2.gz	BTUGQXAFAPYUGT-WJDWOHSUSA-N	-1	0	404.338	2.916	40	10		HFCBRM
O=C([O-])CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCCC2)SC1=S	ZINC000013343515	560804825	/nfs/dbraw/zinc/80/48/25/560804825.db2.gz	HADLDIYFZVKOQI-GXDHUFHOSA-N	-1	0	407.473	2.871	40	10		HFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(Br)cc1F	ZINC000106502904	569352701	/nfs/dbraw/zinc/35/27/01/569352701.db2.gz	BBPWXWGVPKLMQA-XFFZJAGNSA-N	-1	0	408.183	2.756	40	10		HFCBRM
COC(=O)[C@H](C)Oc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000108134360	569361295	/nfs/dbraw/zinc/36/12/95/569361295.db2.gz	GFYRITJVNZKQGO-IEMQHYRPSA-N	-1	0	400.818	2.742	40	10		HFCBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNC(=S)Nc2ccc(C)cc2C)C1=O	ZINC000408536305	557329356	/nfs/dbraw/zinc/32/93/56/557329356.db2.gz	WAZBKCZNOCROAY-SDNWHVSQSA-N	-1	0	424.482	2.765	40	10		HFCBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OC	ZINC000408548643	557414431	/nfs/dbraw/zinc/41/44/31/557414431.db2.gz	KHBPKJHZQCSJET-UKTHLTGXSA-N	-1	0	400.431	2.983	40	10		HFCBRM
CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CO)C(=O)[O-])C2=O)cc1OC	ZINC000005373746	557648327	/nfs/dbraw/zinc/64/83/27/557648327.db2.gz	ZCEIYXANMQLPRS-ZENNRRHLSA-N	-1	0	411.501	2.521	40	10		HFCBRM
CC(C)C[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374895	557648661	/nfs/dbraw/zinc/64/86/61/557648661.db2.gz	HLBIUNKPMJNSEK-XDPMZMSMSA-N	-1	0	406.529	2.893	40	10		HFCBRM
CSCC[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000008870076	557812740	/nfs/dbraw/zinc/81/27/40/557812740.db2.gz	CJEJLAAEPWUEIF-FYQHACEVSA-N	-1	0	424.569	2.519	40	10		HFCBRM
CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)[O-]	ZINC000008870096	557812750	/nfs/dbraw/zinc/81/27/50/557812750.db2.gz	IIQDAZUCAOURAC-XDPMZMSMSA-N	-1	0	422.528	2.656	40	10		HFCBRM
O=C(Nc1ccccc1NC=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O)C(F)(F)F	ZINC000016450221	558792142	/nfs/dbraw/zinc/79/21/42/558792142.db2.gz	SVENKUHLCPDGPW-BENRWUELSA-N	-1	0	424.379	2.894	40	10		HFCBRM
COc1ccc2cc(/C=C3\SC(=S)N([C@H](C(=O)[O-])C(C)C)C3=O)c(=O)[nH]c2c1	ZINC000102723370	559152246	/nfs/dbraw/zinc/15/22/46/559152246.db2.gz	GJYDPWNKBXGOCT-GSHXUFRSSA-N	-1	0	418.496	2.847	40	10		HFCBRM
O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1O	ZINC000033536988	559207178	/nfs/dbraw/zinc/20/71/78/559207178.db2.gz	METONLWYDCZGQB-OVCLIPMQSA-N	-1	0	414.464	2.930	40	10		HFCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1	ZINC000408770806	560638676	/nfs/dbraw/zinc/63/86/76/560638676.db2.gz	AVNHSBZRESGMBH-NSIKDUERSA-N	-1	0	409.354	2.607	40	10		HFCBRM
COC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408780487	560640982	/nfs/dbraw/zinc/64/09/82/560640982.db2.gz	ZQXJSDDOAWVVLE-XNTDXEJSSA-N	-1	0	414.801	2.558	40	10		HFCBRM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408784018	560641229	/nfs/dbraw/zinc/64/12/29/560641229.db2.gz	RMLAOQOPKQTRQI-MHWRWJLKSA-N	-1	0	414.801	2.558	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC	ZINC000408809508	560643845	/nfs/dbraw/zinc/64/38/45/560643845.db2.gz	HILQWAOLHCEFGX-NTUHNPAUSA-N	-1	0	402.790	2.729	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000409392822	560719261	/nfs/dbraw/zinc/71/92/61/560719261.db2.gz	NUFCSDWUABSSEJ-PTNGSMBKSA-N	-1	0	404.338	2.916	40	10		HFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C)cn1	ZINC000409394095	560719578	/nfs/dbraw/zinc/71/95/78/560719578.db2.gz	VOQJJHXJMDYSTC-WOJGMQOQSA-N	-1	0	401.426	2.859	40	10		HFCBRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)s1	ZINC000222696462	568523920	/nfs/dbraw/zinc/52/39/20/568523920.db2.gz	RGLNCNWCSFEACB-UHFFFAOYSA-N	-1	0	402.457	2.528	40	10		HFCBRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCCCC3)cc2)s1	ZINC000222737025	568525129	/nfs/dbraw/zinc/52/51/29/568525129.db2.gz	BHFZILBMIOAEDU-CYBMUJFWSA-N	-1	0	423.564	2.916	40	10		HFCBRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1	ZINC000223120343	568538211	/nfs/dbraw/zinc/53/82/11/568538211.db2.gz	CBBIXCPUUQSSCP-OLZOCXBDSA-N	-1	0	423.564	2.772	40	10		HFCBRM
O=C(C[C@@H]1SC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000016926215	569047120	/nfs/dbraw/zinc/04/71/20/569047120.db2.gz	QTBBCMRYQMRGHZ-AWEZNQCLSA-N	-1	0	403.372	2.603	40	10		HFCBRM
CCOC(=O)c1ccc(-n2c(C)cc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])c2C)cc1	ZINC000108253124	569353477	/nfs/dbraw/zinc/35/34/77/569353477.db2.gz	XGPOKCMWIHFMQI-JXMROGBWSA-N	-1	0	424.413	2.726	40	10		HFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])cc3OC)C2=O)cc1	ZINC000005652834	132307297	/nfs/dbraw/zinc/30/72/97/132307297.db2.gz	YGKQYDQMXDUPFT-YBEGLDIGSA-N	-1	0	411.370	2.669	40	10		HFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1ccccc1Cl	ZINC000041077944	522309945	/nfs/dbraw/zinc/30/99/45/522309945.db2.gz	GJCYYVSADRNEJJ-UHFFFAOYSA-N	-1	0	416.817	2.556	40	10		HFCBRM
COc1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)C(=O)[N-]C2=S)cc1	ZINC000004739010	536659592	/nfs/dbraw/zinc/65/95/92/536659592.db2.gz	BREJBJIXVCUOQY-WQLSENKSSA-N	-1	0	407.245	2.882	40	10		HFCBRM
COc1ccc(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000408528936	557294011	/nfs/dbraw/zinc/29/40/11/557294011.db2.gz	GKKVKVIANDSXQK-GZTJUZNOSA-N	-1	0	408.414	2.600	40	10		HFCBRM
CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374897	557648641	/nfs/dbraw/zinc/64/86/41/557648641.db2.gz	WZPXEQGGDJHMSL-RRFWPWMESA-N	-1	0	406.529	2.893	40	10		HFCBRM
Cc1coc([N-]S(=O)(=O)c2ccc(/N=N\c3c(N)nc(N)nc3N)cc2)c1C	ZINC000104091241	559157944	/nfs/dbraw/zinc/15/79/44/559157944.db2.gz	DBAASMYBIXCABR-FCQUAONHSA-N	-1	0	402.440	2.649	40	10		HFCBRM
O=C([O-])c1cc(NC(=O)CN2C(=O)/C(=C\c3ccco3)SC2=S)ccc1O	ZINC000033589156	559215753	/nfs/dbraw/zinc/21/57/53/559215753.db2.gz	QSKUWLRFJPOFNP-NTUHNPAUSA-N	-1	0	404.425	2.523	40	10		HFCBRM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1	ZINC000408901302	560651262	/nfs/dbraw/zinc/65/12/62/560651262.db2.gz	WZXUDSWFSYCDBE-GZTJUZNOSA-N	-1	0	410.426	2.996	40	10		HFCBRM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O	ZINC000408915584	560654181	/nfs/dbraw/zinc/65/41/81/560654181.db2.gz	YFAILYTZTMCEMS-VGOFMYFVSA-N	-1	0	400.362	2.518	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1Br	ZINC000408948261	560657122	/nfs/dbraw/zinc/65/71/22/560657122.db2.gz	FEZHKERYUVEZCB-KPKJPENVSA-N	-1	0	415.199	2.844	40	10		HFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)=O)c(OC)c3)C2=O)cc1	ZINC000408981660	560661027	/nfs/dbraw/zinc/66/10/27/560661027.db2.gz	CGEYZRAVJCJSOD-BOPFTXTBSA-N	-1	0	408.410	2.849	40	10		HFCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cccc(Br)c1	ZINC000409002598	560664031	/nfs/dbraw/zinc/66/40/31/560664031.db2.gz	VLVNIVCOMZWZER-NVNXTCNLSA-N	-1	0	402.248	2.948	40	10		HFCBRM
CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000409376313	560716340	/nfs/dbraw/zinc/71/63/40/560716340.db2.gz	WZIPCNZWMWHQRI-OQLLNIDSSA-N	-1	0	412.467	2.803	40	10		HFCBRM
COc1cc(OC)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000033758850	568698554	/nfs/dbraw/zinc/69/85/54/568698554.db2.gz	GJYIKZWGONSKFX-JYRVWZFOSA-N	-1	0	403.232	2.928	40	10		HFCBRM
CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000033768013	569360523	/nfs/dbraw/zinc/36/05/23/569360523.db2.gz	VZZZGKZUCCGNOD-CCNLRRDASA-N	-1	0	423.469	2.544	40	10		HFCBRM
COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	ZINC000107920697	569361067	/nfs/dbraw/zinc/36/10/67/569361067.db2.gz	MFUJHAMCUGCXQY-JYRVWZFOSA-N	-1	0	418.203	2.827	40	10		HFCBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C	ZINC000108099543	569361309	/nfs/dbraw/zinc/36/13/09/569361309.db2.gz	ICSQFQYMXOEFNM-PDGQHHTCSA-N	-1	0	424.453	2.877	40	10		HFCBRM
CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374902	557648624	/nfs/dbraw/zinc/64/86/24/557648624.db2.gz	WZPXEQGGDJHMSL-TXHMYNSFSA-N	-1	0	406.529	2.893	40	10		HFCBRM
CC[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374975	557648826	/nfs/dbraw/zinc/64/88/26/557648826.db2.gz	LDEORJMMHBUTRR-OYKAEDKLSA-N	-1	0	404.513	2.814	40	10		HFCBRM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1Br	ZINC000408692904	557706673	/nfs/dbraw/zinc/70/66/73/557706673.db2.gz	YBKVRFSAMBZYDW-KPKJPENVSA-N	-1	0	423.263	2.871	40	10		HFCBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3cccc(F)c3)C1=O)OCO2	ZINC000013546768	558538086	/nfs/dbraw/zinc/53/80/86/558538086.db2.gz	OUTKOYRAPBJKDY-NSIKDUERSA-N	-1	0	414.414	2.784	40	10		HFCBRM
CN(C)c1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1Br	ZINC000012414051	558650317	/nfs/dbraw/zinc/65/03/17/558650317.db2.gz	BVZYEVLCTAOWRA-WDZFZDKYSA-N	-1	0	401.307	2.801	40	10		HFCBRM
CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000408809365	560643860	/nfs/dbraw/zinc/64/38/60/560643860.db2.gz	RMGOBIZOWHNGDE-GZTJUZNOSA-N	-1	0	424.409	2.547	40	10		HFCBRM
CN(C)c1oc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1Br	ZINC000408850294	560647220	/nfs/dbraw/zinc/64/72/20/560647220.db2.gz	KMHPTVCBGFQDLH-KPKJPENVSA-N	-1	0	422.210	2.914	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)=O	ZINC000408851129	560647263	/nfs/dbraw/zinc/64/72/63/560647263.db2.gz	IUDCGENGISVKHZ-LICLKQGHSA-N	-1	0	408.410	2.904	40	10		HFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(OC)c3)C2=O)cc1	ZINC000408885295	560649948	/nfs/dbraw/zinc/64/99/48/560649948.db2.gz	YZOLLRUIQGGFEI-CXUHLZMHSA-N	-1	0	414.801	2.802	40	10		HFCBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1	ZINC000408912284	560652520	/nfs/dbraw/zinc/65/25/20/560652520.db2.gz	DXMPSXVLZHHGQK-WUXMJOGZSA-N	-1	0	405.179	2.960	40	10		HFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)cc1Cl	ZINC000408989936	560662107	/nfs/dbraw/zinc/66/21/07/560662107.db2.gz	VQRHLOMVIFJRIP-PTNGSMBKSA-N	-1	0	415.833	2.744	40	10		HFCBRM
CCOC(=O)Cn1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc21	ZINC000409083478	560674069	/nfs/dbraw/zinc/67/40/69/560674069.db2.gz	ATOYOARHKUAXPZ-OQLLNIDSSA-N	-1	0	418.496	2.880	40	10		HFCBRM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Br)o1	ZINC000409201227	560692928	/nfs/dbraw/zinc/69/29/28/560692928.db2.gz	KRTBKSPVMAOSTN-YRNVUSSQSA-N	-1	0	406.148	2.617	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc(OC)c1OC	ZINC000409228185	560698324	/nfs/dbraw/zinc/69/83/24/560698324.db2.gz	VMWGGMYBTIVQHE-NTEUORMPSA-N	-1	0	412.467	2.852	40	10		HFCBRM
CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1	ZINC000409392138	560719081	/nfs/dbraw/zinc/71/90/81/560719081.db2.gz	LJPAUPOUKKUVNA-XMHGGMMESA-N	-1	0	401.426	2.605	40	10		HFCBRM
COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)c2c1	ZINC000409394122	560719637	/nfs/dbraw/zinc/71/96/37/560719637.db2.gz	VYVMPXOGGKKFKG-LDADJPATSA-N	-1	0	403.394	2.918	40	10		HFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc(Cl)c1OC	ZINC000409394284	560719694	/nfs/dbraw/zinc/71/96/94/560719694.db2.gz	YCRBYRSSXLUZFB-MDWZMJQESA-N	-1	0	401.806	2.809	40	10		HFCBRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCC(C)CC3)cc2)s1	ZINC000224494665	568582802	/nfs/dbraw/zinc/58/28/02/568582802.db2.gz	DXYNFIMUKPOHIY-CYBMUJFWSA-N	-1	0	423.564	2.772	40	10		HFCBRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1	ZINC000260805385	568740307	/nfs/dbraw/zinc/74/03/07/568740307.db2.gz	CBBIXCPUUQSSCP-QWHCGFSZSA-N	-1	0	423.564	2.772	40	10		HFCBRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCC[C@H](C)C3)cc2)s1	ZINC000260843379	568741847	/nfs/dbraw/zinc/74/18/47/568741847.db2.gz	QZMIGYHCZAZAJE-ZDUSSCGKSA-N	-1	0	423.564	2.601	40	10		HFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccc4c(c3)OCO4)C2=O)cc1Cl	ZINC000101653093	569015307	/nfs/dbraw/zinc/01/53/07/569015307.db2.gz	HKWUOWBHNOTEEL-NTEUORMPSA-N	-1	0	413.817	2.634	40	10		HFCBRM
CC1(C)C[C@@H](O)C[C@@](C)(CNC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)C1	ZINC000006232549	569033747	/nfs/dbraw/zinc/03/37/47/569033747.db2.gz	LMGUPZRPNJYARL-XVPPVNSVSA-N	-1	0	419.909	2.974	40	10		HFCBRM
O=C([O-])c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc1	ZINC000035648318	569047118	/nfs/dbraw/zinc/04/71/18/569047118.db2.gz	GEXBFRXDXDNBBS-ZROIWOOFSA-N	-1	0	400.437	2.637	40	10		HFCBRM
COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl	ZINC000033562965	569360188	/nfs/dbraw/zinc/36/01/88/569360188.db2.gz	JOWVFLNSZNFICN-GQVHDAKQSA-N	-1	0	400.818	2.742	40	10		HFCBRM
COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033793260	569360427	/nfs/dbraw/zinc/36/04/27/569360427.db2.gz	CTMZDPPJUGXINE-GHXNOFRVSA-N	-1	0	418.203	2.827	40	10		HFCBRM
CC(=O)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000108175484	569361188	/nfs/dbraw/zinc/36/11/88/569361188.db2.gz	PVFROCTZBOPSLP-ZROIWOOFSA-N	-1	0	401.216	2.836	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCCC2)cc1	ZINC000005552697	132306803	/nfs/dbraw/zinc/30/68/03/132306803.db2.gz	SBJHTEVHNPUYFL-GZTJUZNOSA-N	-1	0	405.410	2.682	40	10		HFCBRM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)N(C)C)cc3)C2=O)c(C)c1	ZINC000408529811	557296003	/nfs/dbraw/zinc/29/60/03/557296003.db2.gz	IBYVPUZENPXSER-LDADJPATSA-N	-1	0	420.469	2.892	40	10		HFCBRM
CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374898	557648704	/nfs/dbraw/zinc/64/87/04/557648704.db2.gz	WZPXEQGGDJHMSL-PRVDKKFPSA-N	-1	0	406.529	2.893	40	10		HFCBRM
COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1OC	ZINC000408692344	557708840	/nfs/dbraw/zinc/70/88/40/557708840.db2.gz	KITBELMIUHHIOQ-MDWZMJQESA-N	-1	0	423.263	2.871	40	10		HFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1	ZINC000408739610	557805377	/nfs/dbraw/zinc/80/53/77/557805377.db2.gz	CZQBAJQQIIOQMI-MDWZMJQESA-N	-1	0	417.215	2.830	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(I)cc1	ZINC000408742032	557808898	/nfs/dbraw/zinc/80/88/98/557808898.db2.gz	UKXJVWPIGRALTE-GXDHUFHOSA-N	-1	0	418.190	2.958	40	10		HFCBRM
CC[C@@H](C)[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374930	560574680	/nfs/dbraw/zinc/57/46/80/560574680.db2.gz	UWBNFHKZXMTDRN-SYLKQSLASA-N	-1	0	406.529	2.812	40	10		HFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	ZINC000408815162	560645145	/nfs/dbraw/zinc/64/51/45/560645145.db2.gz	QMLCCHQNKZDVQC-LFIBNONCSA-N	-1	0	424.409	2.547	40	10		HFCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3N3CCOCC3)C2=O)c1	ZINC000408898888	560651717	/nfs/dbraw/zinc/65/17/17/560651717.db2.gz	NBYBVWZQCWIHNQ-RGEXLXHISA-N	-1	0	405.454	2.806	40	10		HFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC	ZINC000408937788	560656415	/nfs/dbraw/zinc/65/64/15/560656415.db2.gz	OUPBKYJZKQLSNH-XNTDXEJSSA-N	-1	0	411.370	2.669	40	10		HFCBRM
CCOC(=O)COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(CC)cc2)C1=O	ZINC000408987217	560661732	/nfs/dbraw/zinc/66/17/32/560661732.db2.gz	FDHXWNWFWOYSEJ-AQTBWJFISA-N	-1	0	422.437	2.857	40	10		HFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)c1	ZINC000409075882	560672973	/nfs/dbraw/zinc/67/29/73/560672973.db2.gz	YWQINERKGXSHNN-XSFVSMFZSA-N	-1	0	405.454	2.806	40	10		HFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)cc1	ZINC000409131313	560680471	/nfs/dbraw/zinc/68/04/71/560680471.db2.gz	VKPXDCKZAKQEFK-QGOAFFKASA-N	-1	0	423.444	2.891	40	10		HFCBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)c1	ZINC000409193903	560689884	/nfs/dbraw/zinc/68/98/84/560689884.db2.gz	HJLPYIGLDIEWMG-ATASCALFSA-N	-1	0	423.469	2.959	40	10		HFCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)c1	ZINC000409189375	560690946	/nfs/dbraw/zinc/69/09/46/560690946.db2.gz	KHJAJHVHOBRDKY-VVBXCHJUSA-N	-1	0	424.409	2.604	40	10		HFCBRM
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000059139654	568701584	/nfs/dbraw/zinc/70/15/84/568701584.db2.gz	APKGMMVHAOBXLW-UHFFFAOYSA-N	-1	0	411.483	2.699	40	10		HFCBRM
CN1C(=O)/C(=C\c2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc2)SC1=S	ZINC000012273955	569400049	/nfs/dbraw/zinc/40/00/49/569400049.db2.gz	UAUKLQXNDWUPGL-WUXMJOGZSA-N	-1	0	419.509	2.854	40	10		HFCBRM
O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1	ZINC000008870266	571130108	/nfs/dbraw/zinc/13/01/08/571130108.db2.gz	LPCULTSNOQVFPX-GXDHUFHOSA-N	-1	0	416.509	2.658	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccn1-c1ccccc1	ZINC000009264422	132337791	/nfs/dbraw/zinc/33/77/91/132337791.db2.gz	XRPHWIQQRLSBCL-BOPFTXTBSA-N	-1	0	401.378	2.872	40	10		HFCBRM
Cc1ccc2nsnc2c1NC=C1C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O	ZINC000408535522	557333262	/nfs/dbraw/zinc/33/32/62/557333262.db2.gz	SZOYFQWCTIUIIS-SDNWHVSQSA-N	-1	0	407.455	2.617	40	10		HFCBRM
C[C@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000033585270	559216202	/nfs/dbraw/zinc/21/62/02/559216202.db2.gz	RPKPCZUDZKOHDP-MBBDXHFBSA-N	-1	0	418.452	2.912	40	10		HFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1C	ZINC000408927030	560654892	/nfs/dbraw/zinc/65/48/92/560654892.db2.gz	ZIMPEGKQOHPWHO-UHFFFAOYSA-N	-1	0	400.818	2.985	40	10		HFCBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000408948401	560657073	/nfs/dbraw/zinc/65/70/73/560657073.db2.gz	FZWLPZWDUFYDMD-NTUHNPAUSA-N	-1	0	400.774	2.744	40	10		HFCBRM
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000409106626	560678607	/nfs/dbraw/zinc/67/86/07/560678607.db2.gz	OILSQYCAQDBYNL-XMHGGMMESA-N	-1	0	405.454	2.806	40	10		HFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)cc1C	ZINC000409146456	560684634	/nfs/dbraw/zinc/68/46/34/560684634.db2.gz	SRJHFUMNEWWCCV-LDADJPATSA-N	-1	0	423.444	2.946	40	10		HFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)c1	ZINC000409187887	560688017	/nfs/dbraw/zinc/68/80/17/560688017.db2.gz	VPULZMMXKLMZRP-XDHOZWIPSA-N	-1	0	422.437	2.992	40	10		HFCBRM
Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)n1NC(=O)c1ccccc1	ZINC000409200415	560692553	/nfs/dbraw/zinc/69/25/53/560692553.db2.gz	ICOALYOQDKIVNB-OQLLNIDSSA-N	-1	0	415.496	2.775	40	10		HFCBRM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c2ccccc21	ZINC000006422578	560742154	/nfs/dbraw/zinc/74/21/54/560742154.db2.gz	UCCZRLOXXXSVKA-GZTJUZNOSA-N	-1	0	417.421	2.789	40	10		HFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	ZINC000107879579	569353112	/nfs/dbraw/zinc/35/31/12/569353112.db2.gz	MWAZEOOYNQSVHV-GZTJUZNOSA-N	-1	0	406.354	2.641	40	10		HFCBRM
COc1cc(Br)c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000001216184	557245710	/nfs/dbraw/zinc/24/57/10/557245710.db2.gz	LWEHMBJRAMNNCW-MDWZMJQESA-N	-1	0	403.232	2.928	40	10		HFCBRM
CCC(=O)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000408530743	557297295	/nfs/dbraw/zinc/29/72/95/557297295.db2.gz	FSHVHUQQKROBRQ-WJDWOHSUSA-N	-1	0	424.409	2.686	40	10		HFCBRM
CCC(=O)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1OC	ZINC000408532622	557315032	/nfs/dbraw/zinc/31/50/32/557315032.db2.gz	IPMSOWSBSQRKIO-WJDWOHSUSA-N	-1	0	408.410	2.985	40	10		HFCBRM
Nc1cccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c1	ZINC000004824621	557603302	/nfs/dbraw/zinc/60/33/02/557603302.db2.gz	LQUCSXOZWDCBQC-UHFFFAOYSA-N	-1	0	409.423	2.617	40	10		HFCBRM
Cc1ccc(N2[N-]C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1Cl	ZINC000005547183	557660724	/nfs/dbraw/zinc/66/07/24/557660724.db2.gz	RKCOYYSPCQGKNT-QCDXTXTGSA-N	-1	0	401.762	2.747	40	10		HFCBRM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=O)cc1	ZINC000005374924	560574661	/nfs/dbraw/zinc/57/46/61/560574661.db2.gz	VLZULECTERFDIX-AHSSXEFNSA-N	-1	0	406.529	2.812	40	10		HFCBRM
CC[C@H](C)[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374929	560574707	/nfs/dbraw/zinc/57/47/07/560574707.db2.gz	UWBNFHKZXMTDRN-BMKJPTANSA-N	-1	0	406.529	2.812	40	10		HFCBRM
CCc1ccc(OCCCNC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000006843862	560634404	/nfs/dbraw/zinc/63/44/04/560634404.db2.gz	AEWFOYQTXDTLTB-HKWRFOASSA-N	-1	0	407.470	2.770	40	10		HFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OC	ZINC000408818256	560644785	/nfs/dbraw/zinc/64/47/85/560644785.db2.gz	VAGDBGRFLGNVJB-LFIBNONCSA-N	-1	0	424.409	2.547	40	10		HFCBRM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1	ZINC000408986545	560661755	/nfs/dbraw/zinc/66/17/55/560661755.db2.gz	MWRIAUQRESAHES-UYRXBGFRSA-N	-1	0	422.437	2.857	40	10		HFCBRM
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000409192235	560689494	/nfs/dbraw/zinc/68/94/94/560689494.db2.gz	VVKHFPSZJHDXHF-UHFFFAOYSA-N	-1	0	402.790	2.915	40	10		HFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000409237717	560699364	/nfs/dbraw/zinc/69/93/64/560699364.db2.gz	LEFSUPOYJHGDPZ-QGOAFFKASA-N	-1	0	421.453	2.507	40	10		HFCBRM
CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1OC	ZINC000409391531	560718959	/nfs/dbraw/zinc/71/89/59/560718959.db2.gz	INATZIZYIRLTGF-MDWZMJQESA-N	-1	0	401.806	2.809	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCC(c3ccccc3)CC2)C(=O)N1	ZINC000059488642	568707711	/nfs/dbraw/zinc/70/77/11/568707711.db2.gz	NSQYUCJVRUAFNR-UHFFFAOYSA-N	-1	0	420.425	2.728	40	10		HFCBRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1	ZINC000260805387	568740332	/nfs/dbraw/zinc/74/03/32/568740332.db2.gz	CBBIXCPUUQSSCP-STQMWFEESA-N	-1	0	423.564	2.772	40	10		HFCBRM
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)cc1	ZINC000033459844	569360257	/nfs/dbraw/zinc/36/02/57/569360257.db2.gz	GNCDLAPXJHCKBE-GDNBJRDFSA-N	-1	0	414.464	2.940	40	10		HFCBRM
O=C(Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)c1ccco1	ZINC000106340705	569360925	/nfs/dbraw/zinc/36/09/25/569360925.db2.gz	HFPQJRJRFUIKKF-VBKFSLOCSA-N	-1	0	419.349	2.868	40	10		HFCBRM
COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000041107957	521943516	/nfs/dbraw/zinc/94/35/16/521943516.db2.gz	GTTQBUSZHWYOHT-FLHGRMRGSA-N	-1	0	423.410	2.976	40	10		HFCBRM
CCc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O	ZINC000408527104	557288959	/nfs/dbraw/zinc/28/89/59/557288959.db2.gz	FABMWMIGLMXZGZ-SDNWHVSQSA-N	-1	0	410.386	2.745	40	10		HFCBRM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C	ZINC000408527510	557290119	/nfs/dbraw/zinc/29/01/19/557290119.db2.gz	FXYZSXSGZOVCHW-PTNGSMBKSA-N	-1	0	420.429	2.812	40	10		HFCBRM
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)[O-])C3=O)c2C)cc1	ZINC000408588680	557494327	/nfs/dbraw/zinc/49/43/27/557494327.db2.gz	CHIHTNRIALROOY-XDHOZWIPSA-N	-1	0	410.474	2.918	40	10		HFCBRM
Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1	ZINC000004824612	557603331	/nfs/dbraw/zinc/60/33/31/557603331.db2.gz	ZCQMYMXRGJWSHH-UHFFFAOYSA-N	-1	0	409.423	2.617	40	10		HFCBRM
COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC	ZINC000408692945	557706742	/nfs/dbraw/zinc/70/67/42/557706742.db2.gz	YYOYNWUELHBSAZ-KPKJPENVSA-N	-1	0	423.263	2.871	40	10		HFCBRM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000408855669	560647785	/nfs/dbraw/zinc/64/77/85/560647785.db2.gz	FYVIXBYOOPAMAI-XYOKQWHBSA-N	-1	0	416.430	2.683	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OC	ZINC000408914152	560653777	/nfs/dbraw/zinc/65/37/77/560653777.db2.gz	XICWQBIAZKJHKW-VGOFMYFVSA-N	-1	0	400.362	2.518	40	10		HFCBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccccc3C)C1=O)OCO2	ZINC000409098570	560676243	/nfs/dbraw/zinc/67/62/43/560676243.db2.gz	QQWMRCYVULYNCV-ZSOIEALJSA-N	-1	0	410.451	2.954	40	10		HFCBRM
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)o2)cc1	ZINC000409240002	560699977	/nfs/dbraw/zinc/69/99/77/560699977.db2.gz	IXRVUHBHZQJQGD-GZTJUZNOSA-N	-1	0	417.377	2.795	40	10		HFCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O	ZINC000005427281	568443433	/nfs/dbraw/zinc/44/34/33/568443433.db2.gz	FVKSMGCGVGWZEW-QKKJRQINSA-N	-1	0	401.513	2.949	40	10		HFCBRM
O=C([O-])CN1C(=O)/C(=C/c2cc3cc4c(cc3nc2Cl)OCCO4)SC1=S	ZINC000256055526	568774804	/nfs/dbraw/zinc/77/48/04/568774804.db2.gz	JSVQXQKOBOOMBO-ACAGNQJTSA-N	-1	0	422.871	2.945	40	10		HFCBRM
COc1cc([N-]S(=O)(=O)c2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O	ZINC000005138621	568935845	/nfs/dbraw/zinc/93/58/45/568935845.db2.gz	ZUWHJJGOYZUNDW-UHFFFAOYSA-N	-1	0	408.435	2.854	40	10		HFCBRM
CC(=O)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033446774	569360158	/nfs/dbraw/zinc/36/01/58/569360158.db2.gz	ZWQBBGVGXRHJHO-QPEQYQDCSA-N	-1	0	401.762	2.635	40	10		HFCBRM
CC(C)OC(=O)COc1cc(N(C)C)ccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000107935939	569361155	/nfs/dbraw/zinc/36/11/55/569361155.db2.gz	RJDQPSORHZDZPU-UNOMPAQXSA-N	-1	0	423.469	2.544	40	10		HFCBRM
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3OC)OCO4)C(=O)[N-]C2=S)cc1	ZINC000001125089	132238211	/nfs/dbraw/zinc/23/82/11/132238211.db2.gz	OFBIFOUNUHZDPI-OVCLIPMQSA-N	-1	0	410.451	2.818	40	10		HFCBRM
CC(C)C[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374892	557648691	/nfs/dbraw/zinc/64/86/91/557648691.db2.gz	HLBIUNKPMJNSEK-AYYGCFCKSA-N	-1	0	406.529	2.893	40	10		HFCBRM
Cc1coc([N-]S(=O)(=O)c2ccc(/N=N/c3c(N)nc(N)nc3N)cc2)c1C	ZINC000018086990	558830777	/nfs/dbraw/zinc/83/07/77/558830777.db2.gz	DBAASMYBIXCABR-GHVJWSGMSA-N	-1	0	402.440	2.649	40	10		HFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1C	ZINC000408842724	560646216	/nfs/dbraw/zinc/64/62/16/560646216.db2.gz	AVQFBAVDKKQVFE-NSIKDUERSA-N	-1	0	409.354	2.607	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2Cc2ccccc2F)C(=O)N1	ZINC000408876300	560649481	/nfs/dbraw/zinc/64/94/81/560649481.db2.gz	OLVXAWRGYBDXHA-UHFFFAOYSA-N	-1	0	403.207	2.928	40	10		HFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1	ZINC000408881251	560649922	/nfs/dbraw/zinc/64/99/22/560649922.db2.gz	KMBVLZGUFOJDSK-NTEUORMPSA-N	-1	0	414.801	2.889	40	10		HFCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3OCC)OCO4)C2=O)c1	ZINC000409118070	560679173	/nfs/dbraw/zinc/67/91/73/560679173.db2.gz	OSZLRGAMJKNLGQ-PXNMLYILSA-N	-1	0	424.409	2.879	40	10		HFCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)c1C	ZINC000409134116	560682142	/nfs/dbraw/zinc/68/21/42/560682142.db2.gz	NDKPENNPNMSTOM-FOWTUZBSSA-N	-1	0	411.483	2.564	40	10		HFCBRM
COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccncc2)C1=O	ZINC000409392987	560719266	/nfs/dbraw/zinc/71/92/66/560719266.db2.gz	ONORAAQYQZWHBY-UKTHLTGXSA-N	-1	0	402.204	2.519	40	10		HFCBRM
COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cccc(C)n1	ZINC000103919355	560734785	/nfs/dbraw/zinc/73/47/85/560734785.db2.gz	UXMWNMULFUOCAY-UYRXBGFRSA-N	-1	0	409.402	2.950	40	10		HFCBRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)s1	ZINC000223184456	568540529	/nfs/dbraw/zinc/54/05/29/568540529.db2.gz	VKCHNOCCDPXKPY-UHFFFAOYSA-N	-1	0	423.564	2.601	40	10		HFCBRM
COC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000256055391	568774763	/nfs/dbraw/zinc/77/47/63/568774763.db2.gz	FFXXLZSEHMPGRT-JYRVWZFOSA-N	-1	0	420.468	2.639	40	10		HFCBRM
CCOC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC	ZINC000033633337	569360177	/nfs/dbraw/zinc/36/01/77/569360177.db2.gz	KUGLCZWYCAYHLD-LUJRCDHRSA-N	-1	0	424.453	2.877	40	10		HFCBRM
CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1O	ZINC000043079810	520635128	/nfs/dbraw/zinc/63/51/28/520635128.db2.gz	GUNYTRIWYRPWTF-YHYXMXQVSA-N	-1	0	418.290	2.839	40	10		HFCBRM
Cc1coc([N-]S(=O)(=O)c2ccc(NN=C3C(=O)N=C(N)N=C3N)cc2)c1C	ZINC000017021123	558812087	/nfs/dbraw/zinc/81/20/87/558812087.db2.gz	QYFWSBZEFADNKI-QURGRASLSA-N	-1	0	403.424	2.773	40	10		HFCBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1Br	ZINC000083310180	558833440	/nfs/dbraw/zinc/83/34/40/558833440.db2.gz	DJIBUQXPEOGXAH-MDWZMJQESA-N	-1	0	418.247	2.770	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCCCc1nc2ccccc2[nH]1	ZINC000019691336	558960782	/nfs/dbraw/zinc/96/07/82/558960782.db2.gz	MJRFOHGWSQXBGL-QINSGFPZSA-N	-1	0	423.860	2.905	40	10		HFCBRM
O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccco3)SC2=S)cc1O	ZINC000033590084	559217054	/nfs/dbraw/zinc/21/70/54/559217054.db2.gz	PRGIOMDFWSHPTC-NTUHNPAUSA-N	-1	0	404.425	2.523	40	10		HFCBRM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2=O)cc1	ZINC000005374926	560574675	/nfs/dbraw/zinc/57/46/75/560574675.db2.gz	VLZULECTERFDIX-UWZYDCLUSA-N	-1	0	406.529	2.812	40	10		HFCBRM
COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)c(OC)cc1Cl	ZINC000408768357	560638803	/nfs/dbraw/zinc/63/88/03/560638803.db2.gz	WMDBJPLOBINKHZ-YRNVUSSQSA-N	-1	0	402.790	2.729	40	10		HFCBRM
CCOC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000408782343	560641130	/nfs/dbraw/zinc/64/11/30/560641130.db2.gz	HDNLJXHJXOEDJV-LDADJPATSA-N	-1	0	422.437	2.912	40	10		HFCBRM
COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1	ZINC000408875795	560649299	/nfs/dbraw/zinc/64/92/99/560649299.db2.gz	KZZBJILUOBKXEX-OVCLIPMQSA-N	-1	0	417.215	2.830	40	10		HFCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000408880504	560649342	/nfs/dbraw/zinc/64/93/42/560649342.db2.gz	JMARMEAZIASEBE-VIZOYTHASA-N	-1	0	401.762	2.923	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1N1CCOCC1	ZINC000408895308	560650691	/nfs/dbraw/zinc/65/06/91/560650691.db2.gz	DWVXBFHXPUIBPO-LGMDPLHJSA-N	-1	0	411.845	2.843	40	10		HFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	ZINC000408944402	560656511	/nfs/dbraw/zinc/65/65/11/560656511.db2.gz	UPVQKWYIFIDPOH-XNTDXEJSSA-N	-1	0	411.370	2.669	40	10		HFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)cc1	ZINC000409067081	560672483	/nfs/dbraw/zinc/67/24/83/560672483.db2.gz	PBAZDTAKOHAOMX-XSFVSMFZSA-N	-1	0	421.453	2.507	40	10		HFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1C	ZINC000409103926	560675570	/nfs/dbraw/zinc/67/55/70/560675570.db2.gz	HRXNGHMUNUMTRR-XMHGGMMESA-N	-1	0	405.454	2.806	40	10		HFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)cc1	ZINC000409107608	560678676	/nfs/dbraw/zinc/67/86/76/560678676.db2.gz	SMMQIUAVSLMPLK-LFIBNONCSA-N	-1	0	412.467	2.934	40	10		HFCBRM
CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1OC	ZINC000409389947	560720669	/nfs/dbraw/zinc/72/06/69/560720669.db2.gz	CZPQXCPBWDFGGF-MDWZMJQESA-N	-1	0	401.806	2.809	40	10		HFCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-]	ZINC000059502705	568957298	/nfs/dbraw/zinc/95/72/98/568957298.db2.gz	PYWMGKWBNJQQHX-JYRVWZFOSA-N	-1	0	401.762	2.923	40	10		HFCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc2c(c1)OCO2	ZINC000108078793	569353374	/nfs/dbraw/zinc/35/33/74/569353374.db2.gz	MGSFIEZPZAVUEL-XFFZJAGNSA-N	-1	0	419.821	2.952	40	10		HFCBRM
COC(=O)COc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000033667342	569360385	/nfs/dbraw/zinc/36/03/85/569360385.db2.gz	NWXGHOYCYDUIKP-UYRXBGFRSA-N	-1	0	402.406	2.853	40	10		HFCBRM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNNc1cccc2ccccc21	ZINC000408529429	557295186	/nfs/dbraw/zinc/29/51/86/557295186.db2.gz	JOTBRYQYKKMROQ-XDJHFCHBSA-N	-1	0	400.438	2.961	40	10		HFCBRM
CCC(=O)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1OC	ZINC000408534892	557324611	/nfs/dbraw/zinc/32/46/11/557324611.db2.gz	MVKCMYTWSCSRPO-YBEGLDIGSA-N	-1	0	424.409	2.686	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1O	ZINC000408535450	557332410	/nfs/dbraw/zinc/33/24/10/557332410.db2.gz	STAITUWULCYUSL-CSKARUKUSA-N	-1	0	402.750	2.533	40	10		HFCBRM
CN(C)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000408535565	557333241	/nfs/dbraw/zinc/33/32/41/557333241.db2.gz	YWFZFKVOBHEUHH-SDNWHVSQSA-N	-1	0	412.833	2.621	40	10		HFCBRM
COc1ccc(CNC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	ZINC000408550352	557427185	/nfs/dbraw/zinc/42/71/85/557427185.db2.gz	GLENKXVAFCAHJH-UVTDQMKNSA-N	-1	0	419.865	2.909	40	10		HFCBRM
CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374956	557648871	/nfs/dbraw/zinc/64/88/71/557648871.db2.gz	MVIUSXRYOBHJJL-XDPMZMSMSA-N	-1	0	406.529	2.956	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCc3c[nH]c4ccccc34)C2=O)c(OC)c1	ZINC000005513226	557659029	/nfs/dbraw/zinc/65/90/29/557659029.db2.gz	QRPXCIDVPYMFHA-WOJGMQOQSA-N	-1	0	419.437	2.890	40	10		HFCBRM
COc1cc(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1O	ZINC000408739931	557805715	/nfs/dbraw/zinc/80/57/15/557805715.db2.gz	GTNRJONDIINXKM-JYRVWZFOSA-N	-1	0	417.215	2.830	40	10		HFCBRM
COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000102724238	559152195	/nfs/dbraw/zinc/15/21/95/559152195.db2.gz	JSWRGDYKFSYJND-GHXNOFRVSA-N	-1	0	408.432	2.770	40	10		HFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c([N+](=O)[O-])c2)C1=O	ZINC000004949854	560617110	/nfs/dbraw/zinc/61/71/10/560617110.db2.gz	AUCQJJVQRSYGJX-RAXLEYEMSA-N	-1	0	411.370	2.669	40	10		HFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000408816074	560644425	/nfs/dbraw/zinc/64/44/25/560644425.db2.gz	QWUJSJKCVWZQNL-UHFFFAOYSA-N	-1	0	400.818	2.985	40	10		HFCBRM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C1=O)OCO2	ZINC000408963452	560658769	/nfs/dbraw/zinc/65/87/69/560658769.db2.gz	BRGIOVUYCMESKH-AWNIVKPZSA-N	-1	0	400.774	2.744	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)C(=O)N1	ZINC000408991724	560662311	/nfs/dbraw/zinc/66/23/11/560662311.db2.gz	OZJWMHXXTIVFKU-UHFFFAOYSA-N	-1	0	416.396	2.698	40	10		HFCBRM
CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)NC2=O)c1C	ZINC000408993797	560663016	/nfs/dbraw/zinc/66/30/16/560663016.db2.gz	FXKNDIUKCNIWNC-UHFFFAOYSA-N	-1	0	415.471	2.699	40	10		HFCBRM
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)[O-]	ZINC000409083911	560674160	/nfs/dbraw/zinc/67/41/60/560674160.db2.gz	USWOQNSIEUCDSG-WPBJZHHJSA-N	-1	0	423.512	2.929	40	10		HFCBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C1=O)OCO2	ZINC000409103579	560675543	/nfs/dbraw/zinc/67/55/43/560675543.db2.gz	CKLCBWHNYQLZLU-ACAGNQJTSA-N	-1	0	416.842	2.909	40	10		HFCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)c1C	ZINC000409103291	560677591	/nfs/dbraw/zinc/67/75/91/560677591.db2.gz	VVDHEQUUQKBJEE-XMHGGMMESA-N	-1	0	421.522	2.971	40	10		HFCBRM
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000409187961	560688020	/nfs/dbraw/zinc/68/80/20/560688020.db2.gz	VZOFMLCFJQSSTG-LDADJPATSA-N	-1	0	424.478	2.848	40	10		HFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1C[C@H]1CCCO1	ZINC000409206413	560691126	/nfs/dbraw/zinc/69/11/26/560691126.db2.gz	JHEYSNWASCPJDW-FUNKKEAFSA-N	-1	0	407.470	2.946	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12	ZINC000409393643	560719509	/nfs/dbraw/zinc/71/95/09/560719509.db2.gz	RSRZFRWAIPTEEZ-VGOFMYFVSA-N	-1	0	411.215	2.992	40	10		HFCBRM
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000038800069	571082730	/nfs/dbraw/zinc/08/27/30/571082730.db2.gz	QABVKBIVZDVNCM-UHFFFAOYSA-N	-1	0	418.181	2.772	40	10		HFCBRM
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c1C	ZINC000408591100	557503135	/nfs/dbraw/zinc/50/31/35/557503135.db2.gz	IODCPRBXXGBZOZ-VGOFMYFVSA-N	-1	0	403.822	2.733	40	10		HFCBRM
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(NC(=O)[O-])cc1	ZINC000005587456	557663593	/nfs/dbraw/zinc/66/35/93/557663593.db2.gz	AAUOUMZSVQSPDP-UHFFFAOYSA-N	-1	0	412.471	2.783	40	10		HFCBRM
NC(=O)CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	ZINC000012273939	558363418	/nfs/dbraw/zinc/36/34/18/558363418.db2.gz	KBONXUHPVACOBV-QIMWGGGBSA-N	-1	0	419.311	2.913	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000408805342	560643359	/nfs/dbraw/zinc/64/33/59/560643359.db2.gz	AGYUJDAIMMNNNG-NTUHNPAUSA-N	-1	0	401.762	2.923	40	10		HFCBRM
CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000408805348	560643415	/nfs/dbraw/zinc/64/34/15/560643415.db2.gz	AITKYTPLPQRUSJ-GHRIWEEISA-N	-1	0	408.410	2.928	40	10		HFCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OC(C)C	ZINC000408953926	560657353	/nfs/dbraw/zinc/65/73/53/560657353.db2.gz	QNYKVHYLWVQGBP-OQLLNIDSSA-N	-1	0	424.409	2.878	40	10		HFCBRM
CCN1C(=O)C(=Cc2cc(Br)cc(Br)c2[O-])NC1=S	ZINC000409005925	560664525	/nfs/dbraw/zinc/66/45/25/560664525.db2.gz	HEJKYRNNYHWJDO-WTKPLQERSA-N	-1	0	406.099	2.995	40	10		HFCBRM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)[N-]C1=S	ZINC000409105541	560678400	/nfs/dbraw/zinc/67/84/00/560678400.db2.gz	IKTDNHDEWBIFHM-XDJHFCHBSA-N	-1	0	421.522	2.917	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Br)o1	ZINC000409202035	560693244	/nfs/dbraw/zinc/69/32/44/560693244.db2.gz	NWZHARHUZVZYDN-YRNVUSSQSA-N	-1	0	406.148	2.617	40	10		HFCBRM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000409244628	560701161	/nfs/dbraw/zinc/70/11/61/560701161.db2.gz	GMDJXCLPRMTGQN-NTEUORMPSA-N	-1	0	412.467	2.852	40	10		HFCBRM
CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccccc3OCC)C1=O)OCO2	ZINC000409249550	560701959	/nfs/dbraw/zinc/70/19/59/560701959.db2.gz	USTOUJXLOYIYRE-NTEUORMPSA-N	-1	0	424.409	2.879	40	10		HFCBRM
COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000003038724	568846112	/nfs/dbraw/zinc/84/61/12/568846112.db2.gz	SMBJNGZIBWCWOU-NTEUORMPSA-N	-1	0	418.203	2.827	40	10		HFCBRM
CC(=O)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000033475527	569360170	/nfs/dbraw/zinc/36/01/70/569360170.db2.gz	GWZYILHVXHUVPM-ZSOIEALJSA-N	-1	0	401.762	2.635	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1OC	ZINC000001197405	557238251	/nfs/dbraw/zinc/23/82/51/557238251.db2.gz	CEWKFKPYOFPBLN-XNTDXEJSSA-N	-1	0	414.389	2.514	40	10		HFCBRM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1	ZINC000035078474	557295169	/nfs/dbraw/zinc/29/51/69/557295169.db2.gz	IGTQEHSBSNCUII-ZHZULCJRSA-N	-1	0	400.438	2.950	40	10		HFCBRM
CCc1nnc(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)[O-])o1	ZINC000408631875	557570036	/nfs/dbraw/zinc/57/00/36/557570036.db2.gz	MSKVWAFGRUCPQI-GXDHUFHOSA-N	-1	0	406.420	2.595	40	10		HFCBRM
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@@H](C)C(=O)[O-])C1=O	ZINC000005374992	557648850	/nfs/dbraw/zinc/64/88/50/557648850.db2.gz	XAZPMHYZVOXLSW-SFPCQZTCSA-N	-1	0	404.513	2.814	40	10		HFCBRM
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)C2=O)cc1	ZINC000005374958	557648881	/nfs/dbraw/zinc/64/88/81/557648881.db2.gz	XEBHONSUOOBAIP-HFQYIWAZSA-N	-1	0	406.529	2.812	40	10		HFCBRM
C=C(c1ccc(Br)cc1)C1SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000008821616	557810704	/nfs/dbraw/zinc/81/07/04/557810704.db2.gz	PDFWZKQICZDVBD-DHZHZOJOSA-N	-1	0	422.347	2.928	40	10		HFCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O	ZINC000100300929	557811684	/nfs/dbraw/zinc/81/16/84/557811684.db2.gz	FVKSMGCGVGWZEW-AFYLJXPJSA-N	-1	0	401.513	2.949	40	10		HFCBRM
Cc1n[nH]c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O	ZINC000408755290	557817287	/nfs/dbraw/zinc/81/72/87/557817287.db2.gz	DDGWJBMAPFDADD-GHXNOFRVSA-N	-1	0	418.251	2.676	40	10		HFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cn3)C2=O)c1	ZINC000013126101	558518585	/nfs/dbraw/zinc/51/85/85/558518585.db2.gz	VPAVQQFDSVGRKS-LCYFTJDESA-N	-1	0	401.220	2.731	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N1	ZINC000408808872	560643775	/nfs/dbraw/zinc/64/37/75/560643775.db2.gz	GIRGVGMFZWEEFN-UHFFFAOYSA-N	-1	0	401.216	2.778	40	10		HFCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC(=O)c1cccc2ccccc21	ZINC000408889266	560650138	/nfs/dbraw/zinc/65/01/38/560650138.db2.gz	BXVOORCGEAZHOZ-UHFFFAOYSA-N	-1	0	416.389	2.817	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Br)cc2)C(=O)N1	ZINC000408889223	560650152	/nfs/dbraw/zinc/65/01/52/560650152.db2.gz	BMXQGGFPDOLJPE-UHFFFAOYSA-N	-1	0	401.216	2.778	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccccc2Br)C(=O)N1	ZINC000408891609	560650302	/nfs/dbraw/zinc/65/03/02/560650302.db2.gz	TZQJIINMNMYMMJ-UHFFFAOYSA-N	-1	0	401.216	2.778	40	10		HFCBRM
CCc1ccccc1N1C(=O)/C(=C\c2cc3c(cc2OC)OCO3)C(=O)[N-]C1=S	ZINC000409100924	560677086	/nfs/dbraw/zinc/67/70/86/560677086.db2.gz	XFUKYOHKFSNYLB-ZSOIEALJSA-N	-1	0	410.451	2.818	40	10		HFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3OCC)OCO4)C2=O)cc1	ZINC000409106415	560678541	/nfs/dbraw/zinc/67/85/41/560678541.db2.gz	RSNOFCJEPFMBHB-SXGWCWSVSA-N	-1	0	424.409	2.879	40	10		HFCBRM
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1OC	ZINC000409130993	560681878	/nfs/dbraw/zinc/68/18/78/560681878.db2.gz	OTQWFJFIBCNYTN-GZTJUZNOSA-N	-1	0	410.426	2.852	40	10		HFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(Br)cn2)C1=O	ZINC000408530993	557300356	/nfs/dbraw/zinc/30/03/56/557300356.db2.gz	JZJRNDVWEXVZRR-FMIVXFBMSA-N	-1	0	401.220	2.731	40	10		HFCBRM
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@H](C)C(=O)[O-])C1=O	ZINC000005374993	557648859	/nfs/dbraw/zinc/64/88/59/557648859.db2.gz	XAZPMHYZVOXLSW-ZJQKUHDVSA-N	-1	0	404.513	2.814	40	10		HFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1	ZINC000408740289	557806113	/nfs/dbraw/zinc/80/61/13/557806113.db2.gz	JVEMYQRQHSIPFG-NTEUORMPSA-N	-1	0	401.762	2.923	40	10		HFCBRM
Cc1coc([N-]S(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=O)[nH]c3=O)cc2)c1C	ZINC000104091253	559157905	/nfs/dbraw/zinc/15/79/05/559157905.db2.gz	ORBJEGHZJULAIB-MRCUWXFGSA-N	-1	0	404.408	2.896	40	10		HFCBRM
O=C([O-])[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	ZINC000033542237	559208694	/nfs/dbraw/zinc/20/86/94/559208694.db2.gz	FYWZVUFKOHWPBX-AYYGCFCKSA-N	-1	0	422.503	2.883	40	10		HFCBRM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000408775972	560639047	/nfs/dbraw/zinc/63/90/47/560639047.db2.gz	LJYGFMWYBVTKOD-WOJGMQOQSA-N	-1	0	408.410	2.522	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O	ZINC000408785006	560641375	/nfs/dbraw/zinc/64/13/75/560641375.db2.gz	FGZGHIKDPWYPAO-OQLLNIDSSA-N	-1	0	414.801	2.940	40	10		HFCBRM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000408855515	560647738	/nfs/dbraw/zinc/64/77/38/560647738.db2.gz	NRHIHQHCDHKYRN-WOJGMQOQSA-N	-1	0	408.410	2.522	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(Cc3cccc(F)c3)c(Br)c2)C(=O)N1	ZINC000408876043	560649333	/nfs/dbraw/zinc/64/93/33/560649333.db2.gz	IWASAPVLJDDXTB-UHFFFAOYSA-N	-1	0	403.207	2.928	40	10		HFCBRM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(OC)c1	ZINC000408912981	560652819	/nfs/dbraw/zinc/65/28/19/560652819.db2.gz	JEFJOWFZYPOQCZ-XNTDXEJSSA-N	-1	0	400.362	2.518	40	10		HFCBRM
CCCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1	ZINC000408935682	560655900	/nfs/dbraw/zinc/65/59/00/560655900.db2.gz	IMQCPVQVABWIAB-AQTBWJFISA-N	-1	0	408.410	2.928	40	10		HFCBRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1	ZINC000223120413	568538248	/nfs/dbraw/zinc/53/82/48/568538248.db2.gz	CBBIXCPUUQSSCP-CHWSQXEVSA-N	-1	0	423.564	2.772	40	10		HFCBRM
O=C(C[C@H]1SC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000016926219	569047084	/nfs/dbraw/zinc/04/70/84/569047084.db2.gz	QTBBCMRYQMRGHZ-CQSZACIVSA-N	-1	0	403.372	2.603	40	10		HFCBRM
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000107723437	569360887	/nfs/dbraw/zinc/36/08/87/569360887.db2.gz	FEUNJUZXSCDEAN-LDADJPATSA-N	-1	0	409.442	2.941	40	10		HFCBRM
COc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)sc2c1	ZINC000100947700	571309372	/nfs/dbraw/zinc/30/93/72/571309372.db2.gz	ILKXUTWDPBFTKL-XNTDXEJSSA-N	-1	0	422.466	3.501	40	10		HFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O	ZINC000006180726	132309522	/nfs/dbraw/zinc/30/95/22/132309522.db2.gz	BUFUKMNSDAGLPW-MLPAPPSSSA-N	-1	0	402.790	2.729	40	10		HFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408526269	557287775	/nfs/dbraw/zinc/28/77/75/557287775.db2.gz	AOOPZHHQVOAGKY-YBEGLDIGSA-N	-1	0	410.386	2.799	40	10		HFCBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c([N+](=O)[O-])c1	ZINC000408526253	557287819	/nfs/dbraw/zinc/28/78/19/557287819.db2.gz	AMQNUMOOXHYPGA-PKNBQFBNSA-N	-1	0	416.777	2.836	40	10		HFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(C)=O	ZINC000408531480	557305279	/nfs/dbraw/zinc/30/52/79/557305279.db2.gz	GXZAXIFVVCVOLF-YVLHZVERSA-N	-1	0	424.409	2.686	40	10		HFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=S)Nc3ccccc3)C2=O)cc1	ZINC000408531952	557308566	/nfs/dbraw/zinc/30/85/66/557308566.db2.gz	PGKFXSXAKLINHR-FOWTUZBSSA-N	-1	0	410.455	2.539	40	10		HFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)C(=O)[N-]C2=S)c1	ZINC000408740241	557806102	/nfs/dbraw/zinc/80/61/02/557806102.db2.gz	FEEMHISIPSQCRD-GZTJUZNOSA-N	-1	0	410.451	2.703	40	10		HFCBRM
CSCC[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000008870077	557812681	/nfs/dbraw/zinc/81/26/81/557812681.db2.gz	CJEJLAAEPWUEIF-OZYJXZHSSA-N	-1	0	424.569	2.519	40	10		HFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC	ZINC000408755394	557817331	/nfs/dbraw/zinc/81/73/31/557817331.db2.gz	UPEQQRWDUZJBLG-WJDWOHSUSA-N	-1	0	412.467	2.934	40	10		HFCBRM
O=c1[nH]c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc5ccccc54)C3=O)cc2[nH]1	ZINC000016544893	558795610	/nfs/dbraw/zinc/79/56/10/558795610.db2.gz	MNBLJDHYDXCXTG-PTNGSMBKSA-N	-1	0	413.393	2.588	40	10		HFCBRM
COc1ccc2cc(/C=C3\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C3=O)c(=O)[nH]c2c1	ZINC000102723373	559152221	/nfs/dbraw/zinc/15/22/21/559152221.db2.gz	GJYDPWNKBXGOCT-XIEDVDOYSA-N	-1	0	418.496	2.847	40	10		HFCBRM
O=C([O-])c1cc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)ccc1O	ZINC000033544023	559209377	/nfs/dbraw/zinc/20/93/77/559209377.db2.gz	SHHNSLLVEJCOMX-OVCLIPMQSA-N	-1	0	414.464	2.930	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(Cc3ccccc3F)c(Br)c2)C(=O)N1	ZINC000408877903	560649652	/nfs/dbraw/zinc/64/96/52/560649652.db2.gz	XVTYMIYCGSDXJR-UHFFFAOYSA-N	-1	0	403.207	2.928	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1O	ZINC000408897840	560651614	/nfs/dbraw/zinc/65/16/14/560651614.db2.gz	UHOZZWDZKHRJHE-FLIBITNWSA-N	-1	0	405.179	2.960	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)C	ZINC000408954013	560657360	/nfs/dbraw/zinc/65/73/60/560657360.db2.gz	QWCHAKSCMBBDTG-OVCLIPMQSA-N	-1	0	424.409	2.878	40	10		HFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC	ZINC000408955133	560657429	/nfs/dbraw/zinc/65/74/29/560657429.db2.gz	SPOAEVBHEIHZHI-OQLLNIDSSA-N	-1	0	424.409	2.879	40	10		HFCBRM
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000409075684	560672929	/nfs/dbraw/zinc/67/29/29/560672929.db2.gz	TXHGGRXEKMNTKL-GHRIWEEISA-N	-1	0	409.417	2.637	40	10		HFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409099085	560676379	/nfs/dbraw/zinc/67/63/79/560676379.db2.gz	RWDBBABUAOMOHC-XNTDXEJSSA-N	-1	0	412.467	2.852	40	10		HFCBRM
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2C)C(=O)[N-]C1=S	ZINC000409108329	560678905	/nfs/dbraw/zinc/67/89/05/560678905.db2.gz	WCLPTYOUPVDICG-UKTHLTGXSA-N	-1	0	404.289	2.927	40	10		HFCBRM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1	ZINC000104799717	560736549	/nfs/dbraw/zinc/73/65/49/560736549.db2.gz	NABMXGBJXKHHPX-QGOAFFKASA-N	-1	0	423.425	2.841	40	10		HFCBRM
COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ncccc1C	ZINC000112286493	560777880	/nfs/dbraw/zinc/77/78/80/560777880.db2.gz	ALBUQEAKFWJCTL-AQTBWJFISA-N	-1	0	409.402	2.950	40	10		HFCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3nnc(-c4ccccc4)s3)C2=O)c1	ZINC000408529667	571308091	/nfs/dbraw/zinc/30/80/91/571308091.db2.gz	HONDARXRDHXEEC-RVDMUPIBSA-N	-1	0	419.466	3.401	40	10		HFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3cccc(C)c3C)C2=O)cc1	ZINC000408527160	557288887	/nfs/dbraw/zinc/28/88/87/557288887.db2.gz	CVXXYFSRLBSDNN-SFQUDFHCSA-N	-1	0	422.441	2.991	40	10		HFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=S)Nc3ccc(C)cc3C)C2=O)cc1	ZINC000408530992	557300341	/nfs/dbraw/zinc/30/03/41/557300341.db2.gz	JZCRVNYWOMDJQN-WJDWOHSUSA-N	-1	0	424.482	2.765	40	10		HFCBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1cccc(Br)c1	ZINC000408589271	557494049	/nfs/dbraw/zinc/49/40/49/557494049.db2.gz	DMRJEYJJWSYNHV-VIZOYTHASA-N	-1	0	418.247	2.834	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1	ZINC000005773773	557673909	/nfs/dbraw/zinc/67/39/09/557673909.db2.gz	JIGHPWXRBNFYNJ-UHFFFAOYSA-N	-1	0	401.216	2.778	40	10		HFCBRM
O=Cc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000008870222	557812758	/nfs/dbraw/zinc/81/27/58/557812758.db2.gz	KYACKYOKLMTYMV-DHDCSXOGSA-N	-1	0	413.436	2.954	40	10		HFCBRM
O=S(=O)([N-]c1ncccn1)c1ccc(/N=N\Sc2ncnc3[nH]cnc32)cc1	ZINC000104094633	559157978	/nfs/dbraw/zinc/15/79/78/559157978.db2.gz	OAJOBYKZDAPCKF-GYHWCHFESA-N	-1	0	413.448	2.735	40	10		HFCBRM
Cc1c(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C	ZINC000408849306	560647011	/nfs/dbraw/zinc/64/70/11/560647011.db2.gz	WAMVYMMQLQEIJI-YBEGLDIGSA-N	-1	0	403.394	2.882	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1O	ZINC000408889201	560650158	/nfs/dbraw/zinc/65/01/58/560650158.db2.gz	FMJHCNIBEVNHDY-MDWZMJQESA-N	-1	0	403.188	2.527	40	10		HFCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1	ZINC000408900779	560651174	/nfs/dbraw/zinc/65/11/74/560651174.db2.gz	UWTVKDIILSTSLW-XSFVSMFZSA-N	-1	0	405.454	2.806	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1	ZINC000408951074	560656726	/nfs/dbraw/zinc/65/67/26/560656726.db2.gz	HTXMNXOJLSWQGG-LICLKQGHSA-N	-1	0	417.377	2.578	40	10		HFCBRM
CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)NC1=S	ZINC000409392287	560719155	/nfs/dbraw/zinc/71/91/55/560719155.db2.gz	OUGYBEPJPMRELV-XYOKQWHBSA-N	-1	0	404.831	2.945	40	10		HFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OC	ZINC000409409822	560721130	/nfs/dbraw/zinc/72/11/30/560721130.db2.gz	XLYSHHVIYQVUTL-JYRVWZFOSA-N	-1	0	403.232	2.928	40	10		HFCBRM
CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000033768011	569360531	/nfs/dbraw/zinc/36/05/31/569360531.db2.gz	VZZZGKZUCCGNOD-JPVKTXQWSA-N	-1	0	423.469	2.544	40	10		HFCBRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCCCC3)cc2)s1	ZINC000225876115	519753502	/nfs/dbraw/zinc/75/35/02/519753502.db2.gz	QNOSTHOPFYOQNC-GFCCVEGCSA-N	-1	0	409.537	2.526	40	10		HFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3OC)C(=O)[N-]C2=S)cc1	ZINC000005881674	536657497	/nfs/dbraw/zinc/65/74/97/536657497.db2.gz	IQCALJMDBZJGBE-LFIBNONCSA-N	-1	0	412.467	2.852	40	10		HFCBRM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)NCCCCCC(=O)[O-])C2=O)cc1	ZINC000005374913	557648716	/nfs/dbraw/zinc/64/87/16/557648716.db2.gz	KGTTUCDBWKTQND-RVDMUPIBSA-N	-1	0	406.529	2.957	40	10		HFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C(=O)[N-]C2=S)c1	ZINC000408741429	557807965	/nfs/dbraw/zinc/80/79/65/557807965.db2.gz	PSNDJAWQDKPAEQ-MHWRWJLKSA-N	-1	0	412.467	2.934	40	10		HFCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc2c(c1)OCO2	ZINC000016398890	558789749	/nfs/dbraw/zinc/78/97/49/558789749.db2.gz	NYUZTVDRDCJWCF-JYRVWZFOSA-N	-1	0	401.831	2.812	40	10		HFCBRM
CC[C@@H](C)[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374927	560574720	/nfs/dbraw/zinc/57/47/20/560574720.db2.gz	UWBNFHKZXMTDRN-HAIRLQBDSA-N	-1	0	406.529	2.812	40	10		HFCBRM
O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1	ZINC000408801758	560642512	/nfs/dbraw/zinc/64/25/12/560642512.db2.gz	VPIXKTLSALAQMZ-UHFFFAOYSA-N	-1	0	401.762	2.577	40	10		HFCBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(Br)c1	ZINC000408885991	560649911	/nfs/dbraw/zinc/64/99/11/560649911.db2.gz	CISKOXHFDMOESB-WQLSENKSSA-N	-1	0	403.257	2.986	40	10		HFCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408949794	560656737	/nfs/dbraw/zinc/65/67/37/560656737.db2.gz	IVMFXVPOTSGZFM-GZTJUZNOSA-N	-1	0	407.426	2.928	40	10		HFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Br)s1	ZINC000408956484	560657798	/nfs/dbraw/zinc/65/77/98/560657798.db2.gz	XJYMUEQZWPHVHT-UXBLZVDNSA-N	-1	0	421.228	2.906	40	10		HFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1	ZINC000408988569	560662565	/nfs/dbraw/zinc/66/25/65/560662565.db2.gz	RHEYWLPASZDIGT-VGOFMYFVSA-N	-1	0	409.354	2.552	40	10		HFCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccccc1Br	ZINC000408993048	560662893	/nfs/dbraw/zinc/66/28/93/560662893.db2.gz	BQDCGNFDQSAPIX-LCYFTJDESA-N	-1	0	402.248	2.948	40	10		HFCBRM
O=C([O-])CCN1C(=O)/C(=C\c2ccc(N3CCCC3)c([N+](=O)[O-])c2)SC1=S	ZINC000409093568	560674425	/nfs/dbraw/zinc/67/44/25/560674425.db2.gz	AJWBMCMLAMZGEU-GXDHUFHOSA-N	-1	0	407.473	2.871	40	10		HFCBRM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000409242799	560702606	/nfs/dbraw/zinc/70/26/06/560702606.db2.gz	VUZYXRHOFLXINE-ACCUITESSA-N	-1	0	417.874	2.601	40	10		HFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cc(C)ccn1	ZINC000409390347	560718715	/nfs/dbraw/zinc/71/87/15/560718715.db2.gz	FBVLAUWLCLZIHO-LDADJPATSA-N	-1	0	401.426	2.859	40	10		HFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1Br	ZINC000409393901	560719600	/nfs/dbraw/zinc/71/96/00/560719600.db2.gz	SYGZNVNJDAKBSI-XYOKQWHBSA-N	-1	0	402.204	2.519	40	10		HFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1O	ZINC000002773566	568931978	/nfs/dbraw/zinc/93/19/78/568931978.db2.gz	VEQINWYEUXXIBF-NTEUORMPSA-N	-1	0	400.818	2.759	40	10		HFCBRM
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000107916875	569361034	/nfs/dbraw/zinc/36/10/34/569361034.db2.gz	IUERJBPJNFGKSG-GDNBJRDFSA-N	-1	0	401.216	2.836	40	10		HFCBRM
COc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4cc(C)ccc4C)C3=O)sc2c1	ZINC000408532333	571309369	/nfs/dbraw/zinc/30/93/69/571309369.db2.gz	MIZMZXQADJAMST-GXDHUFHOSA-N	-1	0	422.466	3.501	40	10		HFCBRM