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)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S	ZINC000051330786	193925482	/nfs/dbraw/zinc/92/54/82/193925482.db2.gz	DBMCGFNCPFLZHU-AGKVCYSUSA-N	-1	0	432.479	2.567	40	10		IFCBRM
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000035039837	526940231	/nfs/dbraw/zinc/94/02/31/526940231.db2.gz	JIQWXKAWBULGBJ-ZROIWOOFSA-N	-1	0	440.480	2.944	40	10		IFCBRM
N#CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	ZINC000034909774	555560581	/nfs/dbraw/zinc/56/05/81/555560581.db2.gz	VYMSMQQCNYMSQI-ZROIWOOFSA-N	-1	0	443.213	2.721	40	10		IFCBRM
Cc1c(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000408595221	555961391	/nfs/dbraw/zinc/96/13/91/555961391.db2.gz	WAPVWFGUAUZCNO-VCHYOVAHSA-N	-1	0	434.408	2.884	40	10		IFCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	ZINC000408800045	556857752	/nfs/dbraw/zinc/85/77/52/556857752.db2.gz	JQGJGVXACTXBCM-SFQUDFHCSA-N	-1	0	438.436	2.937	40	10		IFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)cc1	ZINC000408804874	556860467	/nfs/dbraw/zinc/86/04/67/556860467.db2.gz	ZUUJMFIDZBCSKO-GZTJUZNOSA-N	-1	0	438.436	2.935	40	10		IFCBRM
COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000408956827	556900171	/nfs/dbraw/zinc/90/01/71/556900171.db2.gz	YPDZQSUFOKIPRY-LFYBBSHMSA-N	-1	0	430.800	2.752	40	10		IFCBRM
O=C([O-])[C@H]1C[NH2+][C@H](c2cc(Br)cc(I)c2[O-])S1	ZINC000408977807	556907012	/nfs/dbraw/zinc/90/70/12/556907012.db2.gz	KBDKYNUZQLPECW-APPZFPTMSA-N	-1	0	430.061	2.548	40	10		IFCBRM
NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl	ZINC000409225693	557013847	/nfs/dbraw/zinc/01/38/47/557013847.db2.gz	NSNCFQCSUZYORD-WUXMJOGZSA-N	-1	0	434.235	2.524	40	10		IFCBRM
NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000409223155	557017537	/nfs/dbraw/zinc/01/75/37/557017537.db2.gz	HHTPQLPGNUOVHM-RIYZIHGNSA-N	-1	0	434.235	2.524	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(Br)cc1O	ZINC000409233177	557024546	/nfs/dbraw/zinc/02/45/46/557024546.db2.gz	ROHAIEZOHXDDMP-WUXMJOGZSA-N	-1	0	432.230	2.615	40	10		IFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c(OC)c2OC)C1=O	ZINC000409245782	557027654	/nfs/dbraw/zinc/02/76/54/557027654.db2.gz	ZBTZIMBZMDBCJC-WYMLVPIESA-N	-1	0	426.425	2.778	40	10		IFCBRM
COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c1OC	ZINC000409251222	557036562	/nfs/dbraw/zinc/03/65/62/557036562.db2.gz	UCRVVPXKZSWNEB-NTUHNPAUSA-N	-1	0	432.230	2.528	40	10		IFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@@]3(C)C[C@H](O)CC(C)(C)C3)C2=O)cc1	ZINC000100556749	557115032	/nfs/dbraw/zinc/11/50/32/557115032.db2.gz	XBYAKZDIXXTLPX-MQAJCVKKSA-N	-1	0	429.517	2.719	40	10		IFCBRM
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1C	ZINC000001213103	557120461	/nfs/dbraw/zinc/12/04/61/557120461.db2.gz	FQWZRCKBUMWJMY-YBFXNURJSA-N	-1	0	427.416	2.908	40	10		IFCBRM
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2F)c(=O)c1N=Nc1ccccc1[N+](=O)[O-]	ZINC000104293452	557324344	/nfs/dbraw/zinc/32/43/44/557324344.db2.gz	UCSDHAYQLGLXSW-KYAFNBKBSA-N	-1	0	426.364	2.960	40	10		IFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(I)c2)C1=O	ZINC000014132822	557421592	/nfs/dbraw/zinc/42/15/92/557421592.db2.gz	NSQBDZOKHQPSQD-XYOKQWHBSA-N	-1	0	448.216	2.972	40	10		IFCBRM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S	ZINC000051330790	557507502	/nfs/dbraw/zinc/50/75/02/557507502.db2.gz	BHIAVBCENULYJH-UJPCXNRSSA-N	-1	0	446.506	2.610	40	10		IFCBRM
NC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21	ZINC000107699003	569250940	/nfs/dbraw/zinc/25/09/40/569250940.db2.gz	YQLCCFDHOVQIIE-LZYBPNLTSA-N	-1	0	438.896	2.611	40	10		IFCBRM
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033655127	569259497	/nfs/dbraw/zinc/25/94/97/569259497.db2.gz	QFRKVMRQQKKBKV-ZSOIEALJSA-N	-1	0	445.815	2.652	40	10		IFCBRM
CCOC(=O)COc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000033705917	569259580	/nfs/dbraw/zinc/25/95/80/569259580.db2.gz	NTZNHRFVRYLXSK-MHWRWJLKSA-N	-1	0	430.844	2.752	40	10		IFCBRM
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1O[C@@H](C)C(=O)OC	ZINC000034745966	569260031	/nfs/dbraw/zinc/26/00/31/569260031.db2.gz	XWTTZLZQSBKGDU-CCNLRRDASA-N	-1	0	436.464	2.825	40	10		IFCBRM
COC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000107732436	569260572	/nfs/dbraw/zinc/26/05/72/569260572.db2.gz	BNBOGBOYJKZOQU-KSSSLANASA-N	-1	0	445.815	2.650	40	10		IFCBRM
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000107945855	569260656	/nfs/dbraw/zinc/26/06/56/569260656.db2.gz	RBSBTIGFPDQABW-MHWRWJLKSA-N	-1	0	425.441	2.559	40	10		IFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)N4CCCCC4)cc3)C2=O)cc1	ZINC000408533068	555745927	/nfs/dbraw/zinc/74/59/27/555745927.db2.gz	NZXHSNIQZZUBCR-HKWRFOASSA-N	-1	0	448.479	2.900	40	10		IFCBRM
COC(=O)c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1Cl	ZINC000408533720	555747832	/nfs/dbraw/zinc/74/78/32/555747832.db2.gz	OWKMTFMGYPSHCC-GDNBJRDFSA-N	-1	0	429.816	2.714	40	10		IFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=O)cc1	ZINC000008870099	556228923	/nfs/dbraw/zinc/22/89/23/556228923.db2.gz	KWUAPOAYFLVIKK-KFXIKWRMSA-N	-1	0	436.555	2.902	40	10		IFCBRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000008870061	556228960	/nfs/dbraw/zinc/22/89/60/556228960.db2.gz	VXRXBYJEWCWSOE-WISAJEAXSA-N	-1	0	426.519	2.700	40	10		IFCBRM
Cc1c(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000015304238	556517483	/nfs/dbraw/zinc/51/74/83/556517483.db2.gz	RLHWRNNKWKLLFL-AQTBWJFISA-N	-1	0	447.520	2.537	40	10		IFCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	ZINC000408767012	556829949	/nfs/dbraw/zinc/82/99/49/556829949.db2.gz	YIAJLJLVUKAODP-UHFFFAOYSA-N	-1	0	447.407	2.939	40	10		IFCBRM
COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)c(OC)cc1Cl	ZINC000408780040	556854383	/nfs/dbraw/zinc/85/43/83/556854383.db2.gz	QTZSUXWNTBVLSZ-KPKJPENVSA-N	-1	0	431.788	2.932	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1O	ZINC000408897431	556883072	/nfs/dbraw/zinc/88/30/72/556883072.db2.gz	WYUMLHDOJYDGSC-RIYZIHGNSA-N	-1	0	444.827	2.897	40	10		IFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	ZINC000408902322	556885279	/nfs/dbraw/zinc/88/52/79/556885279.db2.gz	HKBWDKYAMXISGC-UDWIEESQSA-N	-1	0	446.438	2.999	40	10		IFCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000408961150	556900805	/nfs/dbraw/zinc/90/08/05/556900805.db2.gz	ASNWIAWCXFFXIC-XYOKQWHBSA-N	-1	0	434.235	2.524	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1O	ZINC000409099701	556954676	/nfs/dbraw/zinc/95/46/76/556954676.db2.gz	SEFIAFIZSASKOL-NTEUORMPSA-N	-1	0	428.466	2.639	40	10		IFCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)[N-]C2=S)cc1	ZINC000409131474	556963399	/nfs/dbraw/zinc/96/33/99/556963399.db2.gz	INQDIMANUBHMTL-SFQUDFHCSA-N	-1	0	425.485	2.802	40	10		IFCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)[N-]C2=S)c1	ZINC000409126767	556965617	/nfs/dbraw/zinc/96/56/17/556965617.db2.gz	PFBYOUIZUFZENB-SFQUDFHCSA-N	-1	0	425.485	2.802	40	10		IFCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl	ZINC000409218098	557012622	/nfs/dbraw/zinc/01/26/22/557012622.db2.gz	CRGOBCWNQGKIGA-NTUHNPAUSA-N	-1	0	434.235	2.524	40	10		IFCBRM
COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1OC	ZINC000409238281	557019758	/nfs/dbraw/zinc/01/97/58/557019758.db2.gz	DCBTZLZTBYYOSE-WUXMJOGZSA-N	-1	0	432.230	2.528	40	10		IFCBRM
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)c2C)cc1	ZINC000409232410	557024465	/nfs/dbraw/zinc/02/44/65/557024465.db2.gz	HGZRZPOKJUYGDF-UDWIEESQSA-N	-1	0	444.447	2.942	40	10		IFCBRM
Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)c(C)c1	ZINC000409249876	557030186	/nfs/dbraw/zinc/03/01/86/557030186.db2.gz	IZKHNSUXONJINQ-UHFFFAOYSA-N	-1	0	427.844	2.724	40	10		IFCBRM
CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1OC	ZINC000409392067	557096516	/nfs/dbraw/zinc/09/65/16/557096516.db2.gz	KPOGDRVOBLEMDG-MDWZMJQESA-N	-1	0	446.257	2.918	40	10		IFCBRM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1Br	ZINC000409394092	557098047	/nfs/dbraw/zinc/09/80/47/557098047.db2.gz	VNHHRRMIRZQYEQ-KPKJPENVSA-N	-1	0	432.230	2.528	40	10		IFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@@]3(C)C[C@@H](O)CC(C)(C)C3)C2=O)cc1	ZINC000100556753	557115138	/nfs/dbraw/zinc/11/51/38/557115138.db2.gz	XBYAKZDIXXTLPX-UJXODLGFSA-N	-1	0	429.517	2.719	40	10		IFCBRM
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000016915125	557475942	/nfs/dbraw/zinc/47/59/42/557475942.db2.gz	YAMCFGNHWUZJFV-MHWRWJLKSA-N	-1	0	444.490	2.705	40	10		IFCBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I	ZINC000033748419	569259769	/nfs/dbraw/zinc/25/97/69/569259769.db2.gz	IPJBUZLSQJQJFY-PTNGSMBKSA-N	-1	0	444.228	2.765	40	10		IFCBRM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000108179802	569260785	/nfs/dbraw/zinc/26/07/85/569260785.db2.gz	LYLYVMRTEDVLKY-GDNBJRDFSA-N	-1	0	445.269	2.852	40	10		IFCBRM
N#CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I	ZINC000108103063	569260791	/nfs/dbraw/zinc/26/07/91/569260791.db2.gz	LLVSDARROKEBAX-UVTDQMKNSA-N	-1	0	445.216	2.655	40	10		IFCBRM
COC(=O)[C@H](C)Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000108119349	569260816	/nfs/dbraw/zinc/26/08/16/569260816.db2.gz	LEVHFROYTXEWMU-SEJMYLSOSA-N	-1	0	430.844	2.750	40	10		IFCBRM
C#CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	ZINC000108917937	569260919	/nfs/dbraw/zinc/26/09/19/569260919.db2.gz	JVMNXQRVOJCWHR-GDNBJRDFSA-N	-1	0	442.225	2.831	40	10		IFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)C2=O)cc1C	ZINC000408535984	555757720	/nfs/dbraw/zinc/75/77/20/555757720.db2.gz	VBSKJVGENZISCD-NTEUORMPSA-N	-1	0	425.357	2.699	40	10		IFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCCC2)C1=O	ZINC000408536015	555758091	/nfs/dbraw/zinc/75/80/91/555758091.db2.gz	VFNZOUQWDNMEPX-WYMLVPIESA-N	-1	0	446.467	2.756	40	10		IFCBRM
CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408536043	555758355	/nfs/dbraw/zinc/75/83/55/555758355.db2.gz	VJPLWLYEEUALFP-WYMLVPIESA-N	-1	0	434.456	2.694	40	10		IFCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000408722238	556148860	/nfs/dbraw/zinc/14/88/60/556148860.db2.gz	FRDSBILPBXJQDA-UUILKARUSA-N	-1	0	431.813	2.808	40	10		IFCBRM
Cc1nnc([N-]S(=O)(=O)c2ccc(NNC3=NC4=NC(N)=NC(=S)C4=N3)cc2)s1	ZINC000016983252	556652100	/nfs/dbraw/zinc/65/21/00/556652100.db2.gz	IUDDFJPMXCWYOC-QURGRASLSA-N	-1	0	448.519	2.600	40	10		IFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408808570	556861478	/nfs/dbraw/zinc/86/14/78/556861478.db2.gz	JKSGCETVOLARNZ-UHFFFAOYSA-N	-1	0	445.815	2.975	40	10		IFCBRM
COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000408948766	556898648	/nfs/dbraw/zinc/89/86/48/556898648.db2.gz	GMDLPKNEUXHBNV-NTUHNPAUSA-N	-1	0	445.225	2.853	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1O	ZINC000408952375	556898871	/nfs/dbraw/zinc/89/88/71/556898871.db2.gz	NMCOGRYZBMRWFQ-LFYBBSHMSA-N	-1	0	430.800	2.839	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(I)c1	ZINC000408961173	556900834	/nfs/dbraw/zinc/90/08/34/556900834.db2.gz	BDBGPYKMYJRPFH-XYOKQWHBSA-N	-1	0	434.189	2.663	40	10		IFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1Cl	ZINC000408986543	556909648	/nfs/dbraw/zinc/90/96/48/556909648.db2.gz	MVYGVTYLXLOXKS-UUILKARUSA-N	-1	0	429.772	2.952	40	10		IFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(I)cc1	ZINC000408994108	556913039	/nfs/dbraw/zinc/91/30/39/556913039.db2.gz	FTOCHDCQVAZQJM-OQLLNIDSSA-N	-1	0	449.248	2.790	40	10		IFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC	ZINC000409106504	556958830	/nfs/dbraw/zinc/95/88/30/556958830.db2.gz	NTWYRNKQRYLVJZ-XNTDXEJSSA-N	-1	0	442.493	2.942	40	10		IFCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)c1	ZINC000409107907	556959619	/nfs/dbraw/zinc/95/96/19/556959619.db2.gz	XZACWOHKQCZIRK-KGENOOAVSA-N	-1	0	435.480	2.897	40	10		IFCBRM
CCN(CC)C(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000409144927	556976494	/nfs/dbraw/zinc/97/64/94/556976494.db2.gz	LTFJOFLCMFQAFA-XDHOZWIPSA-N	-1	0	448.479	2.765	40	10		IFCBRM
CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1OC	ZINC000409222058	557017184	/nfs/dbraw/zinc/01/71/84/557017184.db2.gz	BSJMGPKABZJUHF-NTUHNPAUSA-N	-1	0	446.257	2.918	40	10		IFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OC)cc(OC)cc2OC)C1=O	ZINC000409231675	557023261	/nfs/dbraw/zinc/02/32/61/557023261.db2.gz	FIEFFNYOSIWDFI-NTCAYCPXSA-N	-1	0	426.425	2.778	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc(Br)c1O	ZINC000409245699	557027371	/nfs/dbraw/zinc/02/73/71/557027371.db2.gz	XSMQBGNYVMLRGY-WUXMJOGZSA-N	-1	0	432.230	2.615	40	10		IFCBRM
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000409403654	557105102	/nfs/dbraw/zinc/10/51/02/557105102.db2.gz	AIKYELMFURRSCE-DHDCSXOGSA-N	-1	0	430.844	2.752	40	10		IFCBRM
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)[O-])cc3)SC2=S)cc1	ZINC000016906480	557475928	/nfs/dbraw/zinc/47/59/28/557475928.db2.gz	GRLDYTUZOGDXGW-MHWRWJLKSA-N	-1	0	444.490	2.705	40	10		IFCBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)OC)c3ccc(Br)cc23)C1=O	ZINC000059087282	557813837	/nfs/dbraw/zinc/81/38/37/557813837.db2.gz	WQLAKXCHHLSOPF-AWNIVKPZSA-N	-1	0	434.246	2.899	40	10		IFCBRM
CN1C(=O)C(=Cc2cc(Br)cc(Br)c2[O-])C(=O)N(C)C1=S	ZINC000059139197	557816754	/nfs/dbraw/zinc/81/67/54/557816754.db2.gz	PQFQXUPHXIDJGX-UHFFFAOYSA-N	-1	0	434.109	2.516	40	10		IFCBRM
O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C(=O)N1	ZINC000059488778	557825905	/nfs/dbraw/zinc/82/59/05/557825905.db2.gz	FRZFCSDAMAKOKW-UHFFFAOYSA-N	-1	0	434.452	2.803	40	10		IFCBRM
COC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000033728801	569259753	/nfs/dbraw/zinc/25/97/53/569259753.db2.gz	OHLRBOVGQSIREZ-ZENNRRHLSA-N	-1	0	430.844	2.750	40	10		IFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCC#N	ZINC000108221864	569260924	/nfs/dbraw/zinc/26/09/24/569260924.db2.gz	KZZTTXQAFAUJDZ-ZROIWOOFSA-N	-1	0	428.242	2.821	40	10		IFCBRM
CN1C(=O)/C(=C\c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)SC1=S	ZINC000008870000	569480573	/nfs/dbraw/zinc/48/05/73/569480573.db2.gz	LPJPGYODRJVPMW-WLSWZUKCSA-N	-1	0	426.519	2.943	40	10		IFCBRM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNC[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000408526207	555715273	/nfs/dbraw/zinc/71/52/73/555715273.db2.gz	AZXZBNSWDXPBSA-YWFITGJYSA-N	-1	0	446.419	2.538	40	10		IFCBRM
CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000408530027	555726376	/nfs/dbraw/zinc/72/63/76/555726376.db2.gz	IKROFVOHDVXHCT-XFXZXTDPSA-N	-1	0	440.847	2.567	40	10		IFCBRM
Cc1n[nH]c(C)c1NC=C1C(=O)[N-]C(=O)N(c2cc(C)c(Br)cc2C)C1=O	ZINC000408534813	555754980	/nfs/dbraw/zinc/75/49/80/555754980.db2.gz	RIDDNDUFFAPWNX-KPKJPENVSA-N	-1	0	432.278	2.985	40	10		IFCBRM
CCCc1nc(SC(=Cc2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408631236	556002807	/nfs/dbraw/zinc/00/28/07/556002807.db2.gz	GQTWVPXITXIGKU-FOWTUZBSSA-N	-1	0	432.506	2.635	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000016427973	556606853	/nfs/dbraw/zinc/60/68/53/556606853.db2.gz	PPLPUVBIDGIQAN-WQLSENKSSA-N	-1	0	431.748	2.735	40	10		IFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(C)=O	ZINC000408761653	556687824	/nfs/dbraw/zinc/68/78/24/556687824.db2.gz	KKMGEHCEUJUNDC-BOPFTXTBSA-N	-1	0	440.477	2.851	40	10		IFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC	ZINC000408799992	556857998	/nfs/dbraw/zinc/85/79/98/556857998.db2.gz	MMCNQFSLHNPALL-SFQUDFHCSA-N	-1	0	438.436	2.937	40	10		IFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c([N+](=O)[O-])cc1OC	ZINC000408852539	556869699	/nfs/dbraw/zinc/86/96/99/556869699.db2.gz	HGPWGOGQFPEXAQ-YRNVUSSQSA-N	-1	0	431.401	2.582	40	10		IFCBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000408850858	556870998	/nfs/dbraw/zinc/87/09/98/556870998.db2.gz	SJELEPLYXKZAPN-OVCLIPMQSA-N	-1	0	425.397	2.895	40	10		IFCBRM
COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OCc1ccc(Br)cc1	ZINC000408925568	556891928	/nfs/dbraw/zinc/89/19/28/556891928.db2.gz	SECDLDMNBVRLIJ-UHFFFAOYSA-N	-1	0	431.242	2.786	40	10		IFCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000408964583	556902333	/nfs/dbraw/zinc/90/23/33/556902333.db2.gz	DSJHAZUCPQLCJY-JLHYYAGUSA-N	-1	0	435.864	2.740	40	10		IFCBRM
O=C([O-])[C@@H]1C[NH2+][C@H](c2cc(Br)cc(I)c2[O-])S1	ZINC000408977813	556907016	/nfs/dbraw/zinc/90/70/16/556907016.db2.gz	KBDKYNUZQLPECW-CBAPKCEASA-N	-1	0	430.061	2.548	40	10		IFCBRM
CCOc1cccc(N2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)C(=O)[N-]C2=S)c1	ZINC000409065228	556941397	/nfs/dbraw/zinc/94/13/97/556941397.db2.gz	IGDBFRBJMWUCSL-CHHVJCJISA-N	-1	0	426.450	2.654	40	10		IFCBRM
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000409075662	556943857	/nfs/dbraw/zinc/94/38/57/556943857.db2.gz	SSWISTZCVILBNX-GHRIWEEISA-N	-1	0	425.485	2.802	40	10		IFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409108154	556959534	/nfs/dbraw/zinc/95/95/34/556959534.db2.gz	SBMBWYJBLKDDJO-NTEUORMPSA-N	-1	0	428.466	2.552	40	10		IFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409108529	556959857	/nfs/dbraw/zinc/95/98/57/556959857.db2.gz	WOPSZXNLIXWXDL-RVDMUPIBSA-N	-1	0	427.482	2.728	40	10		IFCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c1	ZINC000409136143	556969737	/nfs/dbraw/zinc/96/97/37/556969737.db2.gz	STKSUOGVVHMJAB-LDADJPATSA-N	-1	0	439.443	2.727	40	10		IFCBRM
COc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C(=O)[N-]C1=S	ZINC000409167787	556982765	/nfs/dbraw/zinc/98/27/65/556982765.db2.gz	NDLMSBWBSNOWQQ-XNTDXEJSSA-N	-1	0	435.461	2.566	40	10		IFCBRM
COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c1OCC(=O)[O-]	ZINC000409181120	556989362	/nfs/dbraw/zinc/98/93/62/556989362.db2.gz	WVCPKYICDWOAAH-XNTDXEJSSA-N	-1	0	444.490	2.705	40	10		IFCBRM
O=C(Cn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21)N1CCCC1	ZINC000409206859	556996518	/nfs/dbraw/zinc/99/65/18/556996518.db2.gz	QOCZNOKCPVVGCW-UYRXBGFRSA-N	-1	0	434.496	2.668	40	10		IFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1	ZINC000409209039	556998088	/nfs/dbraw/zinc/99/80/88/556998088.db2.gz	FHNMYRYPFIKMDZ-XNTDXEJSSA-N	-1	0	429.226	2.902	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc(Br)c1OC	ZINC000409221348	557016876	/nfs/dbraw/zinc/01/68/76/557016876.db2.gz	PACRNYCYJIPXSH-NTUHNPAUSA-N	-1	0	446.257	2.918	40	10		IFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000409237547	557019168	/nfs/dbraw/zinc/01/91/68/557019168.db2.gz	VFCOJQSSJSTZHR-DEDYPNTBSA-N	-1	0	435.480	2.815	40	10		IFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc(Br)c1OC	ZINC000409239401	557020798	/nfs/dbraw/zinc/02/07/98/557020798.db2.gz	NENFKJAFJSYTQS-SDQBBNPISA-N	-1	0	432.230	2.528	40	10		IFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OC	ZINC000409373046	557089920	/nfs/dbraw/zinc/08/99/20/557089920.db2.gz	PYCOKFBDZNPYES-SDQBBNPISA-N	-1	0	435.230	2.721	40	10		IFCBRM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NC1CC1	ZINC000001078750	557118770	/nfs/dbraw/zinc/11/87/70/557118770.db2.gz	JTSUKUQHQPNEPH-UDWIEESQSA-N	-1	0	442.475	2.582	40	10		IFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(Br)cc1	ZINC000113831208	557307211	/nfs/dbraw/zinc/30/72/11/557307211.db2.gz	ISCHAPLRQDRHDY-UHFFFAOYSA-N	-1	0	431.242	2.786	40	10		IFCBRM
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCC(=O)[O-])SC2=S)cc1	ZINC000016909879	557475944	/nfs/dbraw/zinc/47/59/44/557475944.db2.gz	IBOYUGHXJYHNMN-MHWRWJLKSA-N	-1	0	444.490	2.705	40	10		IFCBRM
COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1OC	ZINC000107939615	569251739	/nfs/dbraw/zinc/25/17/39/569251739.db2.gz	ZXIBYZOVHCIFDB-WUXMJOGZSA-N	-1	0	435.230	2.721	40	10		IFCBRM
CCOC(=O)COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000033370919	569259239	/nfs/dbraw/zinc/25/92/39/569259239.db2.gz	XAOYWXUTABGSFW-DHDCSXOGSA-N	-1	0	445.815	2.652	40	10		IFCBRM
N#CCOc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033605308	569259526	/nfs/dbraw/zinc/25/95/26/569259526.db2.gz	RWQFXVPVCFINEB-JYRVWZFOSA-N	-1	0	443.213	2.721	40	10		IFCBRM
COC(=O)[C@@H](C)Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000108119356	569260837	/nfs/dbraw/zinc/26/08/37/569260837.db2.gz	LEVHFROYTXEWMU-HMHNVIDESA-N	-1	0	430.844	2.750	40	10		IFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)cc1	ZINC000408527134	569584588	/nfs/dbraw/zinc/58/45/88/569584588.db2.gz	CTNCQWLXAVPFGX-LCYFTJDESA-N	-1	0	428.857	3.537	40	10		IFCBRM
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)OC	ZINC000035213071	556006885	/nfs/dbraw/zinc/00/68/85/556006885.db2.gz	SEWCTGBYYWRGDD-UYRXBGFRSA-N	-1	0	436.464	2.827	40	10		IFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000409094448	556950038	/nfs/dbraw/zinc/95/00/38/556950038.db2.gz	DXFPNFSULAERRW-XSFVSMFZSA-N	-1	0	437.521	2.753	40	10		IFCBRM
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)[N-]C1=S	ZINC000409099772	556954688	/nfs/dbraw/zinc/95/46/88/556954688.db2.gz	UBTKMXKFOBCWHK-SDNWHVSQSA-N	-1	0	431.901	2.909	40	10		IFCBRM
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1OC	ZINC000409126720	556965634	/nfs/dbraw/zinc/96/56/34/556965634.db2.gz	BQMSPILJCPBOEB-MHWRWJLKSA-N	-1	0	440.452	2.860	40	10		IFCBRM
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000409141127	556972374	/nfs/dbraw/zinc/97/23/74/556972374.db2.gz	UGPOCPWKMZPVAG-BOPFTXTBSA-N	-1	0	426.450	2.949	40	10		IFCBRM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c2ccccc21	ZINC000409174417	556984953	/nfs/dbraw/zinc/98/49/53/556984953.db2.gz	SODKBRYFXGFDEQ-LFIBNONCSA-N	-1	0	449.488	2.654	40	10		IFCBRM
COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC	ZINC000409210979	557005654	/nfs/dbraw/zinc/00/56/54/557005654.db2.gz	MJMQDQWDRPQKNY-NTUHNPAUSA-N	-1	0	447.241	2.838	40	10		IFCBRM
COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c1C	ZINC000409238002	557019719	/nfs/dbraw/zinc/01/97/19/557019719.db2.gz	JUWGJIUWNPYKPA-XDHOZWIPSA-N	-1	0	444.447	2.942	40	10		IFCBRM
COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c1C	ZINC000409392152	557096580	/nfs/dbraw/zinc/09/65/80/557096580.db2.gz	LNHWUROYTCKBRI-CPNJWEJPSA-N	-1	0	444.447	2.942	40	10		IFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@]3(C)C[C@@H](O)CC(C)(C)C3)C2=O)cc1	ZINC000100556751	557115044	/nfs/dbraw/zinc/11/50/44/557115044.db2.gz	XBYAKZDIXXTLPX-RJMSQQIXSA-N	-1	0	429.517	2.719	40	10		IFCBRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)s1)c1ccccc1	ZINC000223174462	557441573	/nfs/dbraw/zinc/44/15/73/557441573.db2.gz	GROKKULUKZSARG-UHFFFAOYSA-N	-1	0	443.554	2.869	40	10		IFCBRM
COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000033528475	569259292	/nfs/dbraw/zinc/25/92/92/569259292.db2.gz	RXQUBDXAGUBMLX-PDICVPPASA-N	-1	0	445.815	2.650	40	10		IFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3ccc(Br)cc3)C2=O)cc1	ZINC000408535500	555764092	/nfs/dbraw/zinc/76/40/92/555764092.db2.gz	YPROOEVVKSINIX-GDNBJRDFSA-N	-1	0	431.246	2.541	40	10		IFCBRM
CCn1c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)cc2n(CC)c1=O	ZINC000408536620	555773334	/nfs/dbraw/zinc/77/33/34/555773334.db2.gz	WVZPVVPQXZYMIN-DTQAZKPQSA-N	-1	0	433.468	2.730	40	10		IFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])C2=O)cc1	ZINC000008870100	556228933	/nfs/dbraw/zinc/22/89/33/556228933.db2.gz	KWUAPOAYFLVIKK-YLQKULKDSA-N	-1	0	436.555	2.902	40	10		IFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408802001	556858799	/nfs/dbraw/zinc/85/87/99/556858799.db2.gz	XRMUVKOZUDZAMQ-UHFFFAOYSA-N	-1	0	445.815	2.975	40	10		IFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OCC)c3)C2=O)cc1	ZINC000408802509	556859458	/nfs/dbraw/zinc/85/94/58/556859458.db2.gz	YLIKDKLUIIODTQ-SFQUDFHCSA-N	-1	0	438.436	2.937	40	10		IFCBRM
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000408885965	556878188	/nfs/dbraw/zinc/87/81/88/556878188.db2.gz	BZPKCPNBJXTNEG-UHFFFAOYSA-N	-1	0	436.445	2.665	40	10		IFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1	ZINC000408888548	556878782	/nfs/dbraw/zinc/87/87/82/556878782.db2.gz	WXUUBJZAZAACJP-NTEUORMPSA-N	-1	0	445.225	2.608	40	10		IFCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccccc2Br)c1	ZINC000408895596	556880937	/nfs/dbraw/zinc/88/09/37/556880937.db2.gz	LMEPWNPWDAUEDE-UHFFFAOYSA-N	-1	0	431.242	2.786	40	10		IFCBRM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000409023235	556923223	/nfs/dbraw/zinc/92/32/23/556923223.db2.gz	ZFMKGHGLVJZWEN-RQZCQDPDSA-N	-1	0	437.452	2.785	40	10		IFCBRM
CC(C)COc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409044980	556930328	/nfs/dbraw/zinc/93/03/28/556930328.db2.gz	WWXGSYLWMMEYPJ-UHFFFAOYSA-N	-1	0	446.095	2.996	40	10		IFCBRM
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409068317	556942564	/nfs/dbraw/zinc/94/25/64/556942564.db2.gz	RVZZTAPJTFRLJU-UHFFFAOYSA-N	-1	0	446.868	2.540	40	10		IFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1	ZINC000409089003	556951188	/nfs/dbraw/zinc/95/11/88/556951188.db2.gz	LJCZIOHGXPSUAS-UHFFFAOYSA-N	-1	0	432.732	2.698	40	10		IFCBRM
COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)c1	ZINC000409108739	556959921	/nfs/dbraw/zinc/95/99/21/556959921.db2.gz	XSTLKQMAKFUILH-XNTDXEJSSA-N	-1	0	428.466	2.552	40	10		IFCBRM
COc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)C(=O)[N-]C1=S	ZINC000409171670	556983832	/nfs/dbraw/zinc/98/38/32/556983832.db2.gz	CFWMQFJFXJETJK-UKTHLTGXSA-N	-1	0	428.466	2.552	40	10		IFCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(N)=O)c(Cl)c2)C1=O	ZINC000409219724	557013471	/nfs/dbraw/zinc/01/34/71/557013471.db2.gz	PLDFTKSHEAMMEP-AWNIVKPZSA-N	-1	0	448.262	2.832	40	10		IFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	ZINC000409225889	557014043	/nfs/dbraw/zinc/01/40/43/557014043.db2.gz	SGJBDYWOKUEDMH-UHFFFAOYSA-N	-1	0	443.843	2.506	40	10		IFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)C1=O	ZINC000409237105	557018772	/nfs/dbraw/zinc/01/87/72/557018772.db2.gz	IZEYCZDGCLZMQL-GXDHUFHOSA-N	-1	0	426.425	2.778	40	10		IFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)c(C)c2)C1=O	ZINC000409243162	557033150	/nfs/dbraw/zinc/03/31/50/557033150.db2.gz	ZHXAYHAORBHNQI-OBGWFSINSA-N	-1	0	435.480	2.897	40	10		IFCBRM
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)c1C	ZINC000409262802	557040788	/nfs/dbraw/zinc/04/07/88/557040788.db2.gz	HLKOWOMCGCJOKX-UHFFFAOYSA-N	-1	0	427.844	2.724	40	10		IFCBRM
O=C(COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O)Nc1ccccc1Cl	ZINC000409261382	557040924	/nfs/dbraw/zinc/04/09/24/557040924.db2.gz	BCGGGQNOXLBDAF-UHFFFAOYSA-N	-1	0	434.235	2.760	40	10		IFCBRM
COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1I	ZINC000409332143	557065558	/nfs/dbraw/zinc/06/55/58/557065558.db2.gz	POLQWEOIFCGHTO-BJMVGYQFSA-N	-1	0	435.264	2.586	40	10		IFCBRM
O=C([O-])CN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)SC1=S	ZINC000409347764	557075915	/nfs/dbraw/zinc/07/59/15/557075915.db2.gz	NJGNLWVJGIDLDA-YBEGLDIGSA-N	-1	0	428.491	2.990	40	10		IFCBRM
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)o1	ZINC000409392737	557097134	/nfs/dbraw/zinc/09/71/34/557097134.db2.gz	NIDPHDXJYSBNKM-LFIBNONCSA-N	-1	0	434.364	2.925	40	10		IFCBRM
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2F)c(=O)c1N=Nc1ccccc1[N+](=O)[O-]	ZINC000102942796	557310499	/nfs/dbraw/zinc/31/04/99/557310499.db2.gz	UCSDHAYQLGLXSW-KGNHYALCSA-N	-1	0	426.364	2.960	40	10		IFCBRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCC[C@H](C)C3)cc2)s1	ZINC000260841151	557861182	/nfs/dbraw/zinc/86/11/82/557861182.db2.gz	JPQAFFSTIDIZOP-AWEZNQCLSA-N	-1	0	437.591	2.847	40	10		IFCBRM
CCN1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)c2cc(Br)ccc21	ZINC000001282005	568776337	/nfs/dbraw/zinc/77/63/37/568776337.db2.gz	MGWTZDBMIRTWIX-ZCCYMHNXSA-N	-1	0	441.328	2.860	40	10		IFCBRM
COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000033728803	569259811	/nfs/dbraw/zinc/25/98/11/569259811.db2.gz	OHLRBOVGQSIREZ-CDCQXCROSA-N	-1	0	430.844	2.750	40	10		IFCBRM
COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000107732444	569260469	/nfs/dbraw/zinc/26/04/69/569260469.db2.gz	BNBOGBOYJKZOQU-ZEVOCZHWSA-N	-1	0	445.815	2.650	40	10		IFCBRM
COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCC#N	ZINC000108116586	569260811	/nfs/dbraw/zinc/26/08/11/569260811.db2.gz	RMMQCDIMDFUIRK-XNTDXEJSSA-N	-1	0	428.242	2.821	40	10		IFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)c([N+](=O)[O-])cc3OC)C2=O)cc1	ZINC000408530876	555726659	/nfs/dbraw/zinc/72/66/59/555726659.db2.gz	MYRSPKPMOXOUOO-XFXZXTDPSA-N	-1	0	446.803	2.844	40	10		IFCBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(Br)cc1F	ZINC000408589577	555940778	/nfs/dbraw/zinc/94/07/78/555940778.db2.gz	DVEGHXFGWPTKNF-MKMNVTDBSA-N	-1	0	436.237	2.973	40	10		IFCBRM
CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)[O-]	ZINC000008870102	556228965	/nfs/dbraw/zinc/22/89/65/556228965.db2.gz	FYMGBXJNHNLOPL-XANCVUMDSA-N	-1	0	436.555	2.902	40	10		IFCBRM
CSCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000008870085	556228974	/nfs/dbraw/zinc/22/89/74/556228974.db2.gz	PMMKYRBBNORVHM-AYYGCFCKSA-N	-1	0	438.596	2.909	40	10		IFCBRM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c2ccccc21	ZINC000408777908	556853837	/nfs/dbraw/zinc/85/38/37/556853837.db2.gz	LQAKYDDDAZSMAC-WOJGMQOQSA-N	-1	0	433.489	2.954	40	10		IFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(OC)c3)C2=O)cc1	ZINC000408812950	556861070	/nfs/dbraw/zinc/86/10/70/556861070.db2.gz	PYFJBCDVGKPVDL-SFQUDFHCSA-N	-1	0	438.436	2.937	40	10		IFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1ccccc1F	ZINC000408872231	556875264	/nfs/dbraw/zinc/87/52/64/556875264.db2.gz	BMZJSNJSKAEAMX-UHFFFAOYSA-N	-1	0	433.233	2.937	40	10		IFCBRM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1O	ZINC000408884748	556877796	/nfs/dbraw/zinc/87/77/96/556877796.db2.gz	VHOLBWTUSLZRRY-NTUHNPAUSA-N	-1	0	432.186	2.729	40	10		IFCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000408904003	556883744	/nfs/dbraw/zinc/88/37/44/556883744.db2.gz	CDYXGRAMOGQDAT-NTUHNPAUSA-N	-1	0	434.235	2.524	40	10		IFCBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000408916319	556890590	/nfs/dbraw/zinc/89/05/90/556890590.db2.gz	BTZMYMZZDQQUTJ-QPEQYQDCSA-N	-1	0	431.401	2.582	40	10		IFCBRM
COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)C(=O)[N-]C2=S)c(OC)c1	ZINC000409071385	556945783	/nfs/dbraw/zinc/94/57/83/556945783.db2.gz	NZWUJNCFRMEVEM-GXDHUFHOSA-N	-1	0	428.466	2.552	40	10		IFCBRM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c(OC)c1	ZINC000409171763	556983789	/nfs/dbraw/zinc/98/37/89/556983789.db2.gz	GQFHGTGMZAOPAZ-SDNWHVSQSA-N	-1	0	428.466	2.552	40	10		IFCBRM
O=C(COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)cc1	ZINC000409225600	557013808	/nfs/dbraw/zinc/01/38/08/557013808.db2.gz	RILIJUDCTXTRNT-UHFFFAOYSA-N	-1	0	434.235	2.760	40	10		IFCBRM
Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)c1C	ZINC000409249444	557030147	/nfs/dbraw/zinc/03/01/47/557030147.db2.gz	ILDBKDOJCOMQBJ-UHFFFAOYSA-N	-1	0	427.844	2.724	40	10		IFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000409243174	557033147	/nfs/dbraw/zinc/03/31/47/557033147.db2.gz	ZNFXXUQEARGXRL-FOWTUZBSSA-N	-1	0	441.484	2.502	40	10		IFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1Cl	ZINC000409254607	557034426	/nfs/dbraw/zinc/03/44/26/557034426.db2.gz	IFMUKAPSNPDMPT-UHFFFAOYSA-N	-1	0	443.843	2.506	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(Br)cc1OC	ZINC000409389508	557100653	/nfs/dbraw/zinc/10/06/53/557100653.db2.gz	BRJBGTXCQDIRPD-MDWZMJQESA-N	-1	0	446.257	2.918	40	10		IFCBRM
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2F)c(=O)c1N=Nc1ccccc1[N+](=O)[O-]	ZINC000102942797	557310458	/nfs/dbraw/zinc/31/04/58/557310458.db2.gz	UCSDHAYQLGLXSW-CCWVLBSLSA-N	-1	0	426.364	2.960	40	10		IFCBRM
CCc1ccc(N2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000108276499	569252943	/nfs/dbraw/zinc/25/29/43/569252943.db2.gz	SRCDTLVMVNYWNE-WOJGMQOQSA-N	-1	0	432.505	2.520	40	10		IFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OC(C)=O	ZINC000033648898	569259457	/nfs/dbraw/zinc/25/94/57/569259457.db2.gz	LIOQVPHXRYDASG-ZSOIEALJSA-N	-1	0	431.242	2.844	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(N2CCOCC2)c(F)c1	ZINC000096504872	569260452	/nfs/dbraw/zinc/26/04/52/569260452.db2.gz	IQDGZGADCBUOCU-OQLLNIDSSA-N	-1	0	439.399	2.898	40	10		IFCBRM
CC(=O)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	ZINC000110215946	569261055	/nfs/dbraw/zinc/26/10/55/569261055.db2.gz	HULJPVZIDXBHMW-ZSOIEALJSA-N	-1	0	446.213	2.744	40	10		IFCBRM
CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000012412878	520899272	/nfs/dbraw/zinc/89/92/72/520899272.db2.gz	HNPRTACGJSEJAN-GHXNOFRVSA-N	-1	0	444.205	2.937	40	10		IFCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNC(=O)c3ccccc3)C2=O)c(C)cc1Br	ZINC000408533675	555747541	/nfs/dbraw/zinc/74/75/41/555747541.db2.gz	OTFOWBPDVCSVBE-GXDHUFHOSA-N	-1	0	442.269	2.963	40	10		IFCBRM
O=C(COc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)c(Cl)c1	ZINC000408552589	555880292	/nfs/dbraw/zinc/88/02/92/555880292.db2.gz	KCGWOXKOKOQYFI-UHFFFAOYSA-N	-1	0	434.235	2.760	40	10		IFCBRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000008870060	556228926	/nfs/dbraw/zinc/22/89/26/556228926.db2.gz	VXRXBYJEWCWSOE-BQGMYUGNSA-N	-1	0	426.519	2.700	40	10		IFCBRM
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(Cl)cc4)C3=O)o2)cc1	ZINC000016429454	556607299	/nfs/dbraw/zinc/60/72/99/556607299.db2.gz	NUCQPYUWOKZOKD-BOPFTXTBSA-N	-1	0	443.868	2.709	40	10		IFCBRM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1Br	ZINC000083259201	556662795	/nfs/dbraw/zinc/66/27/95/556662795.db2.gz	PXRPNWQNBBARFX-WUXMJOGZSA-N	-1	0	435.230	2.721	40	10		IFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC	ZINC000408808682	556861598	/nfs/dbraw/zinc/86/15/98/556861598.db2.gz	MYEMNRDSKYBUNV-AWNIVKPZSA-N	-1	0	431.788	2.932	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1cccc([N+](=O)[O-])c1	ZINC000408952502	556898780	/nfs/dbraw/zinc/89/87/80/556898780.db2.gz	NZWHYBHDMRTNPR-LICLKQGHSA-N	-1	0	446.375	2.781	40	10		IFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	ZINC000408957059	556900189	/nfs/dbraw/zinc/90/01/89/556900189.db2.gz	ZXUYZAUWTSJWFZ-WUXMJOGZSA-N	-1	0	445.225	2.853	40	10		IFCBRM
NC(=O)COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000409217605	557012302	/nfs/dbraw/zinc/01/23/02/557012302.db2.gz	DQMPYCZLCDFDFY-QPEQYQDCSA-N	-1	0	434.235	2.524	40	10		IFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000409234916	557025774	/nfs/dbraw/zinc/02/57/74/557025774.db2.gz	ARCXQABPRIFQRY-QGOAFFKASA-N	-1	0	437.521	2.672	40	10		IFCBRM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1C	ZINC000409266205	557039297	/nfs/dbraw/zinc/03/92/97/557039297.db2.gz	PECFDTXBFMXBIU-UHFFFAOYSA-N	-1	0	427.844	2.724	40	10		IFCBRM
COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1OC	ZINC000409389146	557100451	/nfs/dbraw/zinc/10/04/51/557100451.db2.gz	AMIXNWOYNLVFTG-KPKJPENVSA-N	-1	0	432.230	2.528	40	10		IFCBRM
Cc1cc([N-]S(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[nH]c3=O)cc2)nc(C)n1	ZINC000104091247	557320471	/nfs/dbraw/zinc/32/04/71/557320471.db2.gz	WZLQPTJKCATQQO-FCQUAONHSA-N	-1	0	432.491	2.676	40	10		IFCBRM
Cc1nnc([N-]S(=O)(=O)c2ccc(NNC3=NC4=NC(N)=NC(=S)C4=N3)cc2)s1	ZINC000104143448	557321402	/nfs/dbraw/zinc/32/14/02/557321402.db2.gz	IUDDFJPMXCWYOC-DQRAZIAOSA-N	-1	0	448.519	2.600	40	10		IFCBRM
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)cc1	ZINC000033695033	569259567	/nfs/dbraw/zinc/25/95/67/569259567.db2.gz	YSNBKSQZOSIGCL-OQLLNIDSSA-N	-1	0	431.451	2.855	40	10		IFCBRM
CCOC(=O)COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000033705915	569259594	/nfs/dbraw/zinc/25/95/94/569259594.db2.gz	NTZNHRFVRYLXSK-YBEGLDIGSA-N	-1	0	430.844	2.752	40	10		IFCBRM
COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000033718982	569259615	/nfs/dbraw/zinc/25/96/15/569259615.db2.gz	IQFGSYAKXUIRQV-GQVHDAKQSA-N	-1	0	445.269	2.851	40	10		IFCBRM
COC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000033863972	569259958	/nfs/dbraw/zinc/25/99/58/569259958.db2.gz	CPHHQMREHWHXGK-COOUDCDJSA-N	-1	0	445.269	2.851	40	10		IFCBRM
COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCC#N	ZINC000108116582	569260822	/nfs/dbraw/zinc/26/08/22/569260822.db2.gz	RMMQCDIMDFUIRK-GDNBJRDFSA-N	-1	0	428.242	2.821	40	10		IFCBRM
CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)[O-]	ZINC000008870104	556228972	/nfs/dbraw/zinc/22/89/72/556228972.db2.gz	FYMGBXJNHNLOPL-PVPZKTMUSA-N	-1	0	436.555	2.902	40	10		IFCBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)Nc1cc(Cl)ccc1Cl	ZINC000408756590	556239913	/nfs/dbraw/zinc/23/99/13/556239913.db2.gz	WMOGEFPSMUOSNQ-UHFFFAOYSA-N	-1	0	434.235	2.760	40	10		IFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)OC)c4ccccc34)C2=O)cc1	ZINC000408780317	556854229	/nfs/dbraw/zinc/85/42/29/556854229.db2.gz	AWXLKMXMRDMWMP-XDHOZWIPSA-N	-1	0	447.447	2.879	40	10		IFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCC)C2=O)cc1	ZINC000408808384	556861489	/nfs/dbraw/zinc/86/14/89/556861489.db2.gz	FWFQOVCIHLLVSA-LDADJPATSA-N	-1	0	438.436	2.937	40	10		IFCBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2	ZINC000408915812	556890539	/nfs/dbraw/zinc/89/05/39/556890539.db2.gz	ZHDHYTBBAJOFSV-QCDXTXTGSA-N	-1	0	433.189	2.983	40	10		IFCBRM
CN1C(=O)C(=Cc2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C(=O)N(C)C1=S	ZINC000408960515	556900429	/nfs/dbraw/zinc/90/04/29/556900429.db2.gz	GEDRGTNAGSGDPH-UHFFFAOYSA-N	-1	0	433.489	2.987	40	10		IFCBRM
COc1cccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000408963451	556901802	/nfs/dbraw/zinc/90/18/02/556901802.db2.gz	ZNLXIQARHYRHDP-UHFFFAOYSA-N	-1	0	440.477	2.571	40	10		IFCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)[N-]C1=S	ZINC000409136347	556969613	/nfs/dbraw/zinc/96/96/13/556969613.db2.gz	SNMXEMVBAGDLJT-FOWTUZBSSA-N	-1	0	425.485	2.802	40	10		IFCBRM
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1	ZINC000409187812	556988383	/nfs/dbraw/zinc/98/83/83/556988383.db2.gz	UOLQQDWVETYCCD-LFIBNONCSA-N	-1	0	426.400	2.823	40	10		IFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(N)=O)C2=O)cc1Cl	ZINC000409219505	557013115	/nfs/dbraw/zinc/01/31/15/557013115.db2.gz	NGXLMEONRYXXOV-VGOFMYFVSA-N	-1	0	448.262	2.832	40	10		IFCBRM
COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)c2C)c1	ZINC000409228627	557015318	/nfs/dbraw/zinc/01/53/18/557015318.db2.gz	BTRDFLOWSVTJCB-UDWIEESQSA-N	-1	0	444.447	2.942	40	10		IFCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(N)=O)C1=O	ZINC000409223184	557017583	/nfs/dbraw/zinc/01/75/83/557017583.db2.gz	FQAKPHDAWSEZRO-VGOFMYFVSA-N	-1	0	448.262	2.832	40	10		IFCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(N)=O)c(Cl)c2)C1=O	ZINC000409223546	557017646	/nfs/dbraw/zinc/01/76/46/557017646.db2.gz	IIUKFVKMFCNWMG-KPKJPENVSA-N	-1	0	448.262	2.832	40	10		IFCBRM
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)o1	ZINC000409230570	557022321	/nfs/dbraw/zinc/02/23/21/557022321.db2.gz	FNZRJICVJCRTLO-MHWRWJLKSA-N	-1	0	434.364	2.925	40	10		IFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O	ZINC000409247409	557028482	/nfs/dbraw/zinc/02/84/82/557028482.db2.gz	HCVRIISJSBZOJQ-CPNJWEJPSA-N	-1	0	435.480	2.815	40	10		IFCBRM
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000409247983	557029200	/nfs/dbraw/zinc/02/92/00/557029200.db2.gz	FLRJTWNNQDJQMG-UHFFFAOYSA-N	-1	0	427.844	2.724	40	10		IFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	ZINC000409394044	557098119	/nfs/dbraw/zinc/09/81/19/557098119.db2.gz	UVJHHRNDZCTEQS-VCHYOVAHSA-N	-1	0	430.420	2.884	40	10		IFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@]3(C)C[C@H](O)CC(C)(C)C3)C2=O)cc1	ZINC000100556747	557115014	/nfs/dbraw/zinc/11/50/14/557115014.db2.gz	XBYAKZDIXXTLPX-OULPAXMSSA-N	-1	0	429.517	2.719	40	10		IFCBRM
O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(I)c([O-])c([N+](=O)[O-])c1	ZINC000058866057	557812333	/nfs/dbraw/zinc/81/23/33/557812333.db2.gz	VOVZHAMZWFCZJW-UHFFFAOYSA-N	-1	0	445.165	2.659	40	10		IFCBRM
COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000033718984	569259544	/nfs/dbraw/zinc/25/95/44/569259544.db2.gz	IQFGSYAKXUIRQV-DYTQJMLRSA-N	-1	0	445.269	2.851	40	10		IFCBRM
CC(=O)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I	ZINC000035387638	569260205	/nfs/dbraw/zinc/26/02/05/569260205.db2.gz	WSRHRDILJBNIRI-ZROIWOOFSA-N	-1	0	448.216	2.678	40	10		IFCBRM
COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000108119345	569260780	/nfs/dbraw/zinc/26/07/80/569260780.db2.gz	LEVHFROYTXEWMU-KPENOIPVSA-N	-1	0	430.844	2.750	40	10		IFCBRM
COc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)sc2c1	ZINC000408531687	569584676	/nfs/dbraw/zinc/58/46/76/569584676.db2.gz	LDWVVQWJMYSZEP-PKNBQFBNSA-N	-1	0	428.857	3.537	40	10		IFCBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CN=c2[nH]c3ccc(Cl)cc3s2)C1=O	ZINC000408532298	569584842	/nfs/dbraw/zinc/58/48/42/569584842.db2.gz	QFOGAOXVMIJECQ-PKNBQFBNSA-N	-1	0	428.857	3.537	40	10		IFCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N(C)C)C2=O)c1	ZINC000408528467	555719030	/nfs/dbraw/zinc/71/90/30/555719030.db2.gz	GCNUEXSEVBRFGY-JLHYYAGUSA-N	-1	0	434.456	2.530	40	10		IFCBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O	ZINC000408740637	556212944	/nfs/dbraw/zinc/21/29/44/556212944.db2.gz	HTOQFSVAEMNUBI-ZSOIEALJSA-N	-1	0	427.438	2.752	40	10		IFCBRM
CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)[O-]	ZINC000008870101	556228952	/nfs/dbraw/zinc/22/89/52/556228952.db2.gz	FYMGBXJNHNLOPL-SWJKJJOXSA-N	-1	0	436.555	2.902	40	10		IFCBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)Nc1ccc(Cl)c(Cl)c1	ZINC000408756084	556239140	/nfs/dbraw/zinc/23/91/40/556239140.db2.gz	TWUXUXALCGAXOA-UHFFFAOYSA-N	-1	0	434.235	2.760	40	10		IFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc1	ZINC000408797160	556857613	/nfs/dbraw/zinc/85/76/13/556857613.db2.gz	BMAXPGIWHBNKKK-RIYZIHGNSA-N	-1	0	444.827	2.810	40	10		IFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC(C)C)C2=O)cc1	ZINC000408805501	556860878	/nfs/dbraw/zinc/86/08/78/556860878.db2.gz	KTZPGHJLDRPPHQ-WOJGMQOQSA-N	-1	0	438.436	2.935	40	10		IFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1O	ZINC000408850979	556870951	/nfs/dbraw/zinc/87/09/51/556870951.db2.gz	SSNWITQJOWPPNN-WUXMJOGZSA-N	-1	0	435.205	2.969	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(I)o1	ZINC000408853933	556871431	/nfs/dbraw/zinc/87/14/31/556871431.db2.gz	SZLBDVWTVJQNQB-YRNVUSSQSA-N	-1	0	426.141	2.690	40	10		IFCBRM
Cc1ccc(C(=O)Oc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000408880406	556876306	/nfs/dbraw/zinc/87/63/06/556876306.db2.gz	JSDWYUWRXTYCMI-UHFFFAOYSA-N	-1	0	429.226	2.726	40	10		IFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1Br	ZINC000408879063	556877355	/nfs/dbraw/zinc/87/73/55/556877355.db2.gz	CJEKOHZZXMJAII-UHFFFAOYSA-N	-1	0	431.242	2.786	40	10		IFCBRM
COc1cc(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000408884125	556877813	/nfs/dbraw/zinc/87/78/13/556877813.db2.gz	WUTIAWUMQGZQOF-OQLLNIDSSA-N	-1	0	448.216	2.966	40	10		IFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OC	ZINC000408942963	556897544	/nfs/dbraw/zinc/89/75/44/556897544.db2.gz	RIJTWYMSCKPRJE-NTUHNPAUSA-N	-1	0	431.788	2.932	40	10		IFCBRM
CC(C)COc1c(Br)cc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000409056970	556934447	/nfs/dbraw/zinc/93/44/47/556934447.db2.gz	NXXZSDCTBGSFBO-UHFFFAOYSA-N	-1	0	446.095	2.996	40	10		IFCBRM
O=C1[N-]C(=O)C(=Cc2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N1	ZINC000409066334	556941895	/nfs/dbraw/zinc/94/18/95/556941895.db2.gz	BVSWLIMWGVJZPD-UHFFFAOYSA-N	-1	0	441.248	2.511	40	10		IFCBRM
O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)C(=O)N1	ZINC000409066888	556942122	/nfs/dbraw/zinc/94/21/22/556942122.db2.gz	CZSKRCJADVPIAF-UHFFFAOYSA-N	-1	0	441.248	2.511	40	10		IFCBRM
COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)[N-]C2=S)c(OC)c1	ZINC000409103089	556956581	/nfs/dbraw/zinc/95/65/81/556956581.db2.gz	AJCPCQVZUAQEIN-TWPHAGSYSA-N	-1	0	439.449	3.000	40	10		IFCBRM
NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000409217688	557012402	/nfs/dbraw/zinc/01/24/02/557012402.db2.gz	FFPPBFTWJWQMPD-VGOFMYFVSA-N	-1	0	434.235	2.524	40	10		IFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000409242197	557032373	/nfs/dbraw/zinc/03/23/73/557032373.db2.gz	VJLCIJVXPGLYIK-WOJGMQOQSA-N	-1	0	441.871	2.852	40	10		IFCBRM
COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c1OC	ZINC000409390606	557095141	/nfs/dbraw/zinc/09/51/41/557095141.db2.gz	GCNPPWGGLBUNJH-MDWZMJQESA-N	-1	0	432.230	2.528	40	10		IFCBRM
COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000033528477	569259329	/nfs/dbraw/zinc/25/93/29/569259329.db2.gz	RXQUBDXAGUBMLX-GPILYODUSA-N	-1	0	445.815	2.650	40	10		IFCBRM
COC(=O)[C@H](C)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000033863970	569259927	/nfs/dbraw/zinc/25/99/27/569259927.db2.gz	CPHHQMREHWHXGK-IEMQHYRPSA-N	-1	0	445.269	2.851	40	10		IFCBRM
COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)=O	ZINC000108136041	569260782	/nfs/dbraw/zinc/26/07/82/569260782.db2.gz	LBXVRTZENWKUII-DHDCSXOGSA-N	-1	0	431.242	2.844	40	10		IFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCC#N	ZINC000108116827	569260802	/nfs/dbraw/zinc/26/08/02/569260802.db2.gz	KUYYDPMQBWQXKG-ZROIWOOFSA-N	-1	0	428.242	2.821	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNc1nnc(-c2ccccc2)s1	ZINC000408528198	569584134	/nfs/dbraw/zinc/58/41/34/569584134.db2.gz	HCGQVNGBXJDQEV-ZRDIBKRKSA-N	-1	0	425.857	3.437	40	10		IFCBRM
CCOc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)sc2c1	ZINC000408532147	569584522	/nfs/dbraw/zinc/58/45/22/569584522.db2.gz	PUJHTJOUFWGYEN-DTQAZKPQSA-N	-1	0	436.493	3.312	40	10		IFCBRM
Cc1nn(C)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O	ZINC000408526141	555715230	/nfs/dbraw/zinc/71/52/30/555715230.db2.gz	AGNDAIFOFYVMGE-MDWZMJQESA-N	-1	0	446.305	2.995	40	10		IFCBRM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000408526205	555715311	/nfs/dbraw/zinc/71/53/11/555715311.db2.gz	AZXZBNSWDXPBSA-VOMPUTFMSA-N	-1	0	446.419	2.538	40	10		IFCBRM
COc1ccccc1NNC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2)C1=O	ZINC000408526637	555715968	/nfs/dbraw/zinc/71/59/68/555715968.db2.gz	CTSOVADBKIPVBW-JLHYYAGUSA-N	-1	0	445.273	2.850	40	10		IFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000408742293	556215657	/nfs/dbraw/zinc/21/56/57/556215657.db2.gz	QNTHTOOARRMBMU-OQLLNIDSSA-N	-1	0	427.438	2.833	40	10		IFCBRM
CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)[O-]	ZINC000008870103	556228957	/nfs/dbraw/zinc/22/89/57/556228957.db2.gz	FYMGBXJNHNLOPL-NMXNEJDKSA-N	-1	0	436.555	2.902	40	10		IFCBRM
CSCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000008870086	556228981	/nfs/dbraw/zinc/22/89/81/556228981.db2.gz	PMMKYRBBNORVHM-XDPMZMSMSA-N	-1	0	438.596	2.909	40	10		IFCBRM
COc1cc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)[N-]C2=S)cc(OC)c1OC	ZINC000016195259	556589836	/nfs/dbraw/zinc/58/98/36/556589836.db2.gz	OXXOUGAFBZHNPE-FLIBITNWSA-N	-1	0	433.398	2.885	40	10		IFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Br)c1O	ZINC000408887501	556879314	/nfs/dbraw/zinc/87/93/14/556879314.db2.gz	OXOATWOWIYELCE-GHXNOFRVSA-N	-1	0	433.283	2.995	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(O)c(Br)c1	ZINC000408956692	556900150	/nfs/dbraw/zinc/90/01/50/556900150.db2.gz	XYPYSGYTIKZZMK-VZUCSPMQSA-N	-1	0	431.198	2.550	40	10		IFCBRM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C1=O)OCO2	ZINC000408961275	556900934	/nfs/dbraw/zinc/90/09/34/556900934.db2.gz	MCOFSGXFNPRENA-AWNIVKPZSA-N	-1	0	445.225	2.853	40	10		IFCBRM
O=C([O-])[C@H]1C[NH2+][C@@H](c2cc(Br)cc(I)c2[O-])S1	ZINC000408977817	556907033	/nfs/dbraw/zinc/90/70/33/556907033.db2.gz	KBDKYNUZQLPECW-VXNVDRBHSA-N	-1	0	430.061	2.548	40	10		IFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	ZINC000409049826	556932458	/nfs/dbraw/zinc/93/24/58/556932458.db2.gz	XVTAYVFVDOKKFS-UHFFFAOYSA-N	-1	0	443.843	2.506	40	10		IFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C(=O)N1	ZINC000409064627	556941152	/nfs/dbraw/zinc/94/11/52/556941152.db2.gz	IGJYLBBSPUXMQJ-UHFFFAOYSA-N	-1	0	441.248	2.511	40	10		IFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)[N-]C2=S)cc1	ZINC000409074394	556946995	/nfs/dbraw/zinc/94/69/95/556946995.db2.gz	QSVZCEGPHDHOLP-XSFVSMFZSA-N	-1	0	437.521	2.672	40	10		IFCBRM
CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21	ZINC000409197343	556995042	/nfs/dbraw/zinc/99/50/42/556995042.db2.gz	CETNKJXABATZJW-UYRXBGFRSA-N	-1	0	436.512	2.914	40	10		IFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O	ZINC000409232509	557024376	/nfs/dbraw/zinc/02/43/76/557024376.db2.gz	QKNFDGGRUNGQMA-CPNJWEJPSA-N	-1	0	437.521	2.672	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(Br)cc1OC	ZINC000409234989	557025841	/nfs/dbraw/zinc/02/58/41/557025841.db2.gz	AGPUYXWTSGBCRH-NTUHNPAUSA-N	-1	0	446.257	2.918	40	10		IFCBRM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)c(C)c1	ZINC000409251098	557036635	/nfs/dbraw/zinc/03/66/35/557036635.db2.gz	OIHXWCAYVSGDAP-UHFFFAOYSA-N	-1	0	427.844	2.724	40	10		IFCBRM
CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(Cl)c1OCC(=O)OC	ZINC000409327076	557061632	/nfs/dbraw/zinc/06/16/32/557061632.db2.gz	HOSKHBXSXHXKPO-WUXMJOGZSA-N	-1	0	445.902	2.576	40	10		IFCBRM
COC(=O)COc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1	ZINC000409339921	557067531	/nfs/dbraw/zinc/06/75/31/557067531.db2.gz	ZXBVUYOBCSKRRB-ZROIWOOFSA-N	-1	0	434.520	2.846	40	10		IFCBRM
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)c2C)cc1	ZINC000409392081	557096568	/nfs/dbraw/zinc/09/65/68/557096568.db2.gz	KRLCHGFWFGGTPN-DEDYPNTBSA-N	-1	0	444.447	2.942	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc(Br)c1O	ZINC000409392463	557096876	/nfs/dbraw/zinc/09/68/76/557096876.db2.gz	MSWCQEKOGYWQLA-KPKJPENVSA-N	-1	0	432.230	2.615	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc(Br)c1OC	ZINC000409394314	557098510	/nfs/dbraw/zinc/09/85/10/557098510.db2.gz	YNJUCSVUIRWPNT-MDWZMJQESA-N	-1	0	446.257	2.918	40	10		IFCBRM
Cc1cc(I)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1O	ZINC000113831064	557307177	/nfs/dbraw/zinc/30/71/77/557307177.db2.gz	MDZSTPUNQBFFTM-RUDMXATFSA-N	-1	0	435.264	2.591	40	10		IFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O	ZINC000033763387	557810615	/nfs/dbraw/zinc/81/06/15/557810615.db2.gz	MOCUEUGPGJDDEE-RIYZIHGNSA-N	-1	0	429.816	2.719	40	10		IFCBRM
CCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)c2cc(Br)ccc21	ZINC000001282003	568776324	/nfs/dbraw/zinc/77/63/24/568776324.db2.gz	MGWTZDBMIRTWIX-VCKOUUQGSA-N	-1	0	441.328	2.860	40	10		IFCBRM
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1O[C@H](C)C(=O)OC	ZINC000034745969	569260085	/nfs/dbraw/zinc/26/00/85/569260085.db2.gz	XWTTZLZQSBKGDU-JPVKTXQWSA-N	-1	0	436.464	2.825	40	10		IFCBRM
COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)=O	ZINC000108136043	569260793	/nfs/dbraw/zinc/26/07/93/569260793.db2.gz	LBXVRTZENWKUII-OQLLNIDSSA-N	-1	0	431.242	2.844	40	10		IFCBRM
CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(I)c2)SC1=S	ZINC000109044832	569261097	/nfs/dbraw/zinc/26/10/97/569261097.db2.gz	UNZUMGAVMBQQMZ-WDZFZDKYSA-N	-1	0	449.291	2.976	40	10		IFCBRM
CCOc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccccc4OC)C3=O)sc2c1	ZINC000408528287	569584582	/nfs/dbraw/zinc/58/45/82/569584582.db2.gz	FRLSECJPSPBAJF-ACCUITESSA-N	-1	0	438.465	3.282	40	10		IFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)C2=O)c1	ZINC000408529762	555724124	/nfs/dbraw/zinc/72/41/24/555724124.db2.gz	JYFIBGNOVWPVIT-NTCAYCPXSA-N	-1	0	446.467	2.756	40	10		IFCBRM
CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNC(=O)c2ccccc2)C1=O	ZINC000408530426	555727244	/nfs/dbraw/zinc/72/72/44/555727244.db2.gz	LSIUCCUCGXCOIL-RVDMUPIBSA-N	-1	0	442.269	2.908	40	10		IFCBRM
O=c1[nH]c2cc(Br)c(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2[nH]1	ZINC000408531482	555733074	/nfs/dbraw/zinc/73/30/74/555733074.db2.gz	KPARDYMNYLEBJM-CSKARUKUSA-N	-1	0	442.229	2.610	40	10		IFCBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNNc2ccc(Br)cc2)C1=O	ZINC000408531925	555735995	/nfs/dbraw/zinc/73/59/95/555735995.db2.gz	PEBJJEQDWUBQKM-JLHYYAGUSA-N	-1	0	431.246	2.541	40	10		IFCBRM
CC(=O)Nc1ccc(NC2=NC(=O)C(=C3c4ccccc4N(CC(=O)[O-])C3=O)S2)cc1	ZINC000008821914	556223927	/nfs/dbraw/zinc/22/39/27/556223927.db2.gz	IMYGQBJZQXITAI-ZCXUNETKSA-N	-1	0	436.449	2.529	40	10		IFCBRM
COc1ccc(NC2=NC(=O)C(=C3c4ccccc4N(CC(=O)[O-])C3=O)S2)c(OC)c1	ZINC000008821918	556223938	/nfs/dbraw/zinc/22/39/38/556223938.db2.gz	MESYRKKNMNIIDY-ZCXUNETKSA-N	-1	0	439.449	2.588	40	10		IFCBRM
CCn1nc(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1C	ZINC000408755263	556238342	/nfs/dbraw/zinc/23/83/42/556238342.db2.gz	CJMRHXKQWNKKOF-NTEUORMPSA-N	-1	0	432.278	2.861	40	10		IFCBRM
Cc1cc([N-]S(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[nH]c3=O)cc2)nc(C)n1	ZINC000017021198	556653299	/nfs/dbraw/zinc/65/32/99/556653299.db2.gz	WZLQPTJKCATQQO-GHVJWSGMSA-N	-1	0	432.491	2.676	40	10		IFCBRM
COC(=O)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1	ZINC000408784362	556855580	/nfs/dbraw/zinc/85/55/80/556855580.db2.gz	RYGSPHDMQWCNMH-MDWZMJQESA-N	-1	0	444.827	2.810	40	10		IFCBRM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21	ZINC000408791227	556857204	/nfs/dbraw/zinc/85/72/04/556857204.db2.gz	XKWRBARGCQYZGL-WOJGMQOQSA-N	-1	0	449.488	2.654	40	10		IFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OC	ZINC000408817734	556864162	/nfs/dbraw/zinc/86/41/62/556864162.db2.gz	WPSPSBBIGZTIKU-NTUHNPAUSA-N	-1	0	447.241	2.838	40	10		IFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408817798	556864235	/nfs/dbraw/zinc/86/42/35/556864235.db2.gz	UNTXEWGAWHPUSV-UHFFFAOYSA-N	-1	0	431.788	2.585	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1O	ZINC000408846781	556869200	/nfs/dbraw/zinc/86/92/00/556869200.db2.gz	KXTWVYWYNYSSKT-WUXMJOGZSA-N	-1	0	431.198	2.550	40	10		IFCBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000408852276	556869910	/nfs/dbraw/zinc/86/99/10/556869910.db2.gz	RMSQGAXKMYNMOA-YRNVUSSQSA-N	-1	0	431.401	2.582	40	10		IFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1Cc1cccc(F)c1	ZINC000408864906	556872963	/nfs/dbraw/zinc/87/29/63/556872963.db2.gz	AHTUARIEXDZLBA-UHFFFAOYSA-N	-1	0	433.233	2.937	40	10		IFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1	ZINC000408895582	556880870	/nfs/dbraw/zinc/88/08/70/556880870.db2.gz	NJPSXWYJNPOONG-NTUHNPAUSA-N	-1	0	430.800	2.507	40	10		IFCBRM
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408939173	556896440	/nfs/dbraw/zinc/89/64/40/556896440.db2.gz	IBOCFMNZTPRXFX-UHFFFAOYSA-N	-1	0	440.477	2.571	40	10		IFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccn1	ZINC000408948341	556898654	/nfs/dbraw/zinc/89/86/54/556898654.db2.gz	FNXUCCZEGBKNHR-LICLKQGHSA-N	-1	0	430.420	2.884	40	10		IFCBRM
COC(=O)COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000408994007	556913042	/nfs/dbraw/zinc/91/30/42/556913042.db2.gz	YAJHTLOWNYNRCK-DHDCSXOGSA-N	-1	0	428.828	2.867	40	10		IFCBRM
CCCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409048122	556931710	/nfs/dbraw/zinc/93/17/10/556931710.db2.gz	RSPLKMUHKDYCDQ-UHFFFAOYSA-N	-1	0	432.068	2.750	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1OC	ZINC000409063416	556940335	/nfs/dbraw/zinc/94/03/35/556940335.db2.gz	BKCCKSLVZCDFPR-XNTDXEJSSA-N	-1	0	442.493	2.942	40	10		IFCBRM
O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1	ZINC000409070735	556944943	/nfs/dbraw/zinc/94/49/43/556944943.db2.gz	GPTBINTXPAELJK-UHFFFAOYSA-N	-1	0	441.248	2.511	40	10		IFCBRM
O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	ZINC000409091379	556951803	/nfs/dbraw/zinc/95/18/03/556951803.db2.gz	PYBPXSXORWSIAG-UHFFFAOYSA-N	-1	0	432.732	2.698	40	10		IFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)c(OC)c1	ZINC000409091974	556952146	/nfs/dbraw/zinc/95/21/46/556952146.db2.gz	WPVHSIDJEFVDOS-OQLLNIDSSA-N	-1	0	428.466	2.552	40	10		IFCBRM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2OC)C1=O	ZINC000409174787	556985221	/nfs/dbraw/zinc/98/52/21/556985221.db2.gz	VCJLGGBMWLOSHX-UKTHLTGXSA-N	-1	0	428.466	2.552	40	10		IFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000409233621	557025020	/nfs/dbraw/zinc/02/50/20/557025020.db2.gz	LJQJSNPXPSAUGU-DEDYPNTBSA-N	-1	0	435.480	2.815	40	10		IFCBRM
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC	ZINC000409350345	557078095	/nfs/dbraw/zinc/07/80/95/557078095.db2.gz	YBHRSUYIDNGFNC-WUXMJOGZSA-N	-1	0	445.902	2.576	40	10		IFCBRM
COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)c2C)c1	ZINC000409393823	557097847	/nfs/dbraw/zinc/09/78/47/557097847.db2.gz	SNJBTLFCRMDHSY-DEDYPNTBSA-N	-1	0	444.447	2.942	40	10		IFCBRM
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)o1	ZINC000409389215	557100520	/nfs/dbraw/zinc/10/05/20/557100520.db2.gz	APOXQVMTGMHLRF-LFIBNONCSA-N	-1	0	434.364	2.925	40	10		IFCBRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)cc2)s1	ZINC000223352343	557461338	/nfs/dbraw/zinc/46/13/38/557461338.db2.gz	MLHBHEZDRIHINF-UHFFFAOYSA-N	-1	0	437.591	2.992	40	10		IFCBRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCC[C@@H](C)C3)cc2)s1	ZINC000224573721	557625601	/nfs/dbraw/zinc/62/56/01/557625601.db2.gz	JPQAFFSTIDIZOP-CQSZACIVSA-N	-1	0	437.591	2.847	40	10		IFCBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000059426685	557823624	/nfs/dbraw/zinc/82/36/24/557823624.db2.gz	CIHRWQHKDFJMPC-QPEQYQDCSA-N	-1	0	431.788	2.932	40	10		IFCBRM
NC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	ZINC000107622468	569250760	/nfs/dbraw/zinc/25/07/60/569250760.db2.gz	MQESVMJQAYOVFK-CXUHLZMHSA-N	-1	0	438.896	2.611	40	10		IFCBRM
CC(=O)Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000034702715	569259963	/nfs/dbraw/zinc/25/99/63/569259963.db2.gz	PDFVOUSGLBRCEW-QPEQYQDCSA-N	-1	0	446.213	2.744	40	10		IFCBRM
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCC(=O)OCC	ZINC000108089464	569260756	/nfs/dbraw/zinc/26/07/56/569260756.db2.gz	QMKMGDUIJPFJDO-UYRXBGFRSA-N	-1	0	436.464	2.827	40	10		IFCBRM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1	ZINC000408530763	569584132	/nfs/dbraw/zinc/58/41/32/569584132.db2.gz	MQJKAROPKIXMGF-SDNWHVSQSA-N	-1	0	426.885	3.567	40	10		IFCBRM
COc1ccc(-c2nnc(NC=C3C(=O)[N-]C(=O)N(c4cc(C)ccc4C)C3=O)s2)cc1	ZINC000408529120	569584495	/nfs/dbraw/zinc/58/44/95/569584495.db2.gz	IIBQHNMLINXMQU-LFIBNONCSA-N	-1	0	449.492	3.409	40	10		IFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Br)c3)C2=O)cc1	ZINC000006579919	536729727	/nfs/dbraw/zinc/72/97/27/536729727.db2.gz	DPPCFMKCQQXMRN-GDNBJRDFSA-N	-1	0	429.226	2.902	40	10		IFCBRM
Cc1n[nH]c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2C)C1=O	ZINC000408527193	555716936	/nfs/dbraw/zinc/71/69/36/555716936.db2.gz	FJPNVKIPMAKHMB-KPKJPENVSA-N	-1	0	432.278	2.985	40	10		IFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1	ZINC000408741631	556214988	/nfs/dbraw/zinc/21/49/88/556214988.db2.gz	RFJQDWHPHBIBOP-DHDCSXOGSA-N	-1	0	441.396	2.677	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)OC	ZINC000408783086	556855138	/nfs/dbraw/zinc/85/51/38/556855138.db2.gz	MWCAMDMGNMLGHI-GZTJUZNOSA-N	-1	0	438.436	2.612	40	10		IFCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccc(Br)cc2)c1	ZINC000408812555	556863055	/nfs/dbraw/zinc/86/30/55/556863055.db2.gz	SRGQJVZDVBEYJA-UHFFFAOYSA-N	-1	0	431.242	2.786	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	ZINC000408950375	556898110	/nfs/dbraw/zinc/89/81/10/556898110.db2.gz	JMGSVORJFUEFSZ-LICLKQGHSA-N	-1	0	446.375	2.781	40	10		IFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1	ZINC000408986570	556909667	/nfs/dbraw/zinc/90/96/67/556909667.db2.gz	NCABPPJUTNHCPQ-DHDCSXOGSA-N	-1	0	425.397	2.841	40	10		IFCBRM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(I)o1	ZINC000409021608	556922452	/nfs/dbraw/zinc/92/24/52/556922452.db2.gz	PREPDTMJODYRAC-YRNVUSSQSA-N	-1	0	442.209	2.855	40	10		IFCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1	ZINC000409131838	556963309	/nfs/dbraw/zinc/96/33/09/556963309.db2.gz	YKCPUCHGCFBECR-MHWRWJLKSA-N	-1	0	429.835	2.982	40	10		IFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)cc1	ZINC000409131174	556967779	/nfs/dbraw/zinc/96/77/79/556967779.db2.gz	MHSBYUOKRPCFOY-QGOAFFKASA-N	-1	0	439.443	2.727	40	10		IFCBRM
COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000409210238	557004570	/nfs/dbraw/zinc/00/45/70/557004570.db2.gz	FQYABWCPKNDWDA-BOPFTXTBSA-N	-1	0	444.465	2.834	40	10		IFCBRM
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)o1	ZINC000409228691	557015324	/nfs/dbraw/zinc/01/53/24/557015324.db2.gz	CQGUEYDLUTZUPP-MHWRWJLKSA-N	-1	0	434.364	2.925	40	10		IFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	ZINC000409240662	557021702	/nfs/dbraw/zinc/02/17/02/557021702.db2.gz	UVKLZNBSMBLDCU-GIJQJNRQSA-N	-1	0	430.420	2.884	40	10		IFCBRM
O=C([N-]N1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S)c1cccs1	ZINC000409356670	557084241	/nfs/dbraw/zinc/08/42/41/557084241.db2.gz	GZWLKEUDKWLMEA-ACAGNQJTSA-N	-1	0	435.464	2.931	40	10		IFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(Br)cc1O	ZINC000409390054	557101335	/nfs/dbraw/zinc/10/13/35/557101335.db2.gz	DJNKJPGZTDIVGF-KPKJPENVSA-N	-1	0	432.230	2.615	40	10		IFCBRM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S	ZINC000051330792	557507494	/nfs/dbraw/zinc/50/74/94/557507494.db2.gz	BHIAVBCENULYJH-NXADEVLQSA-N	-1	0	446.506	2.610	40	10		IFCBRM
C#CCOc1cc(Br)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000107913513	569260703	/nfs/dbraw/zinc/26/07/03/569260703.db2.gz	ZNCBPAWNIOKCTO-GDNBJRDFSA-N	-1	0	427.254	2.931	40	10		IFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N(C)C)C2=O)c(C)c1	ZINC000408526407	555715767	/nfs/dbraw/zinc/71/57/67/555715767.db2.gz	BGJBEGMZYHTSBN-JLHYYAGUSA-N	-1	0	434.456	2.530	40	10		IFCBRM
CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000408526701	555715932	/nfs/dbraw/zinc/71/59/32/555715932.db2.gz	CEANIJNJSNANFU-MDZDMXLPSA-N	-1	0	440.847	2.567	40	10		IFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1I	ZINC000408692583	556095784	/nfs/dbraw/zinc/09/57/84/556095784.db2.gz	PUWJAJWTZATBDX-XYOKQWHBSA-N	-1	0	440.237	2.704	40	10		IFCBRM
COC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=O)N(Cc3ccccc3)C1=O)CCCC2	ZINC000100296755	556187582	/nfs/dbraw/zinc/18/75/82/556187582.db2.gz	HXZLNKIJTFXNKN-RVDMUPIBSA-N	-1	0	439.493	2.988	40	10		IFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1	ZINC000016194192	556589580	/nfs/dbraw/zinc/58/95/80/556589580.db2.gz	GLHRGDMNQYLPDA-JYRVWZFOSA-N	-1	0	445.225	2.608	40	10		IFCBRM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21	ZINC000408785187	556855544	/nfs/dbraw/zinc/85/55/44/556855544.db2.gz	YMKIIJLALNBGRY-WOJGMQOQSA-N	-1	0	433.489	2.954	40	10		IFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1	ZINC000408881845	556878239	/nfs/dbraw/zinc/87/82/39/556878239.db2.gz	OSMOPICDFLCXNW-RIYZIHGNSA-N	-1	0	444.827	2.897	40	10		IFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc2c1OCO2	ZINC000408962818	556901603	/nfs/dbraw/zinc/90/16/03/556901603.db2.gz	VQKCTJHISRCVHK-AWNIVKPZSA-N	-1	0	445.225	2.853	40	10		IFCBRM
O=C([O-])[C@@H]1C[NH2+][C@@H](c2cc(Br)cc(I)c2[O-])S1	ZINC000408977815	556907052	/nfs/dbraw/zinc/90/70/52/556907052.db2.gz	KBDKYNUZQLPECW-IONNQARKSA-N	-1	0	430.061	2.548	40	10		IFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1	ZINC000408981364	556907928	/nfs/dbraw/zinc/90/79/28/556907928.db2.gz	AWWJRVYIOOJFBV-DHDCSXOGSA-N	-1	0	425.397	2.841	40	10		IFCBRM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	ZINC000408989174	556912268	/nfs/dbraw/zinc/91/22/68/556912268.db2.gz	SJIVLEGMHIEUFV-SXGWCWSVSA-N	-1	0	428.828	2.867	40	10		IFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3OC)C(=O)[N-]C2=S)c(OC)c1	ZINC000409098563	556954031	/nfs/dbraw/zinc/95/40/31/556954031.db2.gz	IUQIQEKURBLKMX-XNTDXEJSSA-N	-1	0	442.493	2.861	40	10		IFCBRM
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000409187323	556988095	/nfs/dbraw/zinc/98/80/95/556988095.db2.gz	OXZGQYRPVVHUAV-LFIBNONCSA-N	-1	0	442.468	2.987	40	10		IFCBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccc(Cl)cc1	ZINC000409222774	557017402	/nfs/dbraw/zinc/01/74/02/557017402.db2.gz	CNQIIVUAIVHYIW-UHFFFAOYSA-N	-1	0	434.235	2.760	40	10		IFCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	ZINC000409224303	557017879	/nfs/dbraw/zinc/01/78/79/557017879.db2.gz	JXRAZPHYXDBJMY-AWNIVKPZSA-N	-1	0	434.235	2.524	40	10		IFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3OC)C2=O)cc1	ZINC000409239014	557020468	/nfs/dbraw/zinc/02/04/68/557020468.db2.gz	YKHGOQJGMSSHOJ-XSFVSMFZSA-N	-1	0	435.480	2.761	40	10		IFCBRM
O=C(COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccccc1	ZINC000409250727	557030868	/nfs/dbraw/zinc/03/08/68/557030868.db2.gz	MRJWGMDLCHXJSL-UHFFFAOYSA-N	-1	0	434.235	2.760	40	10		IFCBRM
Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000409268816	557039931	/nfs/dbraw/zinc/03/99/31/557039931.db2.gz	AXHXKZFUAVZODS-UHFFFAOYSA-N	-1	0	427.844	2.724	40	10		IFCBRM
CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1OC	ZINC000409392852	557097279	/nfs/dbraw/zinc/09/72/79/557097279.db2.gz	NZSIGRAZLFIZII-MDWZMJQESA-N	-1	0	446.257	2.918	40	10		IFCBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC	ZINC000409407142	557106977	/nfs/dbraw/zinc/10/69/77/557106977.db2.gz	LDMJUGGORQFVTA-DHDCSXOGSA-N	-1	0	430.844	2.752	40	10		IFCBRM
COC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=O)N(Cc3ccco3)C1=O)CCCC2	ZINC000104178710	557321681	/nfs/dbraw/zinc/32/16/81/557321681.db2.gz	FFDKCQKMEFNRJS-UKTHLTGXSA-N	-1	0	429.454	2.581	40	10		IFCBRM
CN1C(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)C(=O)N(C)C1=S	ZINC000059139152	557816719	/nfs/dbraw/zinc/81/67/19/557816719.db2.gz	ZIDHBSLIOSKFBG-UHFFFAOYSA-N	-1	0	434.109	2.516	40	10		IFCBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000059426642	557823656	/nfs/dbraw/zinc/82/36/56/557823656.db2.gz	VPOPFRKXTDEKBX-NVNXTCNLSA-N	-1	0	425.397	2.895	40	10		IFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1F	ZINC000059536083	557827420	/nfs/dbraw/zinc/82/74/20/557827420.db2.gz	BKOAGWLPKLSQEX-UHFFFAOYSA-N	-1	0	449.232	2.925	40	10		IFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C	ZINC000408600807	555969074	/nfs/dbraw/zinc/96/90/74/555969074.db2.gz	GHDVDPZZUWMDCE-BOPFTXTBSA-N	-1	0	438.436	2.692	40	10		IFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(I)cc3)C2=O)cc1	ZINC000408741352	556213991	/nfs/dbraw/zinc/21/39/91/556213991.db2.gz	PIFNOLQSFBCEQT-XNTDXEJSSA-N	-1	0	448.216	2.966	40	10		IFCBRM
COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408949516	556897776	/nfs/dbraw/zinc/89/77/76/556897776.db2.gz	IGVAGXZKGIWAGE-WOJGMQOQSA-N	-1	0	431.404	2.881	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1	ZINC000409129863	556967251	/nfs/dbraw/zinc/96/72/51/556967251.db2.gz	VGYJAUGPBAOGHE-LFIBNONCSA-N	-1	0	429.835	2.982	40	10		IFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1	ZINC000409184736	556990920	/nfs/dbraw/zinc/99/09/20/556990920.db2.gz	MHPOODRZDYHUIM-XDHOZWIPSA-N	-1	0	438.436	2.692	40	10		IFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)OC)c3ccccc23)C1=O	ZINC000409225030	557013674	/nfs/dbraw/zinc/01/36/74/557013674.db2.gz	JJXHSEURMSCLLW-SFQUDFHCSA-N	-1	0	447.447	2.879	40	10		IFCBRM
NC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000409227943	557014880	/nfs/dbraw/zinc/01/48/80/557014880.db2.gz	XVLTULFERVUXEF-KPKJPENVSA-N	-1	0	434.235	2.524	40	10		IFCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OCC(N)=O)C1=O	ZINC000409227975	557015010	/nfs/dbraw/zinc/01/50/10/557015010.db2.gz	YLIOJEOOIHWZBV-MDWZMJQESA-N	-1	0	448.262	2.832	40	10		IFCBRM
Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)c1	ZINC000409249620	557030115	/nfs/dbraw/zinc/03/01/15/557030115.db2.gz	KAKSMHNVMDJMKN-UHFFFAOYSA-N	-1	0	427.844	2.724	40	10		IFCBRM
CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000409401393	557101981	/nfs/dbraw/zinc/10/19/81/557101981.db2.gz	XXHXJRZWLSVANA-WJDWOHSUSA-N	-1	0	445.269	2.852	40	10		IFCBRM
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2F)c(=O)c1N=Nc1ccccc1[N+](=O)[O-]	ZINC000104293445	557324193	/nfs/dbraw/zinc/32/41/93/557324193.db2.gz	UCSDHAYQLGLXSW-LINNUKDLSA-N	-1	0	426.364	2.960	40	10		IFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)[N-]C2=S)c(OC)c1	ZINC000059595941	557824249	/nfs/dbraw/zinc/82/42/49/557824249.db2.gz	JUTVTCRKCHBFFV-YRNVUSSQSA-N	-1	0	437.271	2.891	40	10		IFCBRM
COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000108119352	569260796	/nfs/dbraw/zinc/26/07/96/569260796.db2.gz	LEVHFROYTXEWMU-YUSFRKCESA-N	-1	0	430.844	2.750	40	10		IFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1	ZINC000408527009	555716337	/nfs/dbraw/zinc/71/63/37/555716337.db2.gz	DRFBZKFMCCGSLR-GDNBJRDFSA-N	-1	0	428.832	2.945	40	10		IFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N(C)C)C2=O)c1C	ZINC000408536047	555758248	/nfs/dbraw/zinc/75/82/48/555758248.db2.gz	VLMDGTAVSCHSTN-RAXLEYEMSA-N	-1	0	434.456	2.530	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1	ZINC000016488327	556611815	/nfs/dbraw/zinc/61/18/15/556611815.db2.gz	ZATZMBSIBMWDMF-UVTDQMKNSA-N	-1	0	446.257	2.545	40	10		IFCBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408772373	556847549	/nfs/dbraw/zinc/84/75/49/556847549.db2.gz	OQTGBLWZTDYOOE-GZTJUZNOSA-N	-1	0	428.828	2.948	40	10		IFCBRM
COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)c(OC)cc1Cl	ZINC000408786035	556856275	/nfs/dbraw/zinc/85/62/75/556856275.db2.gz	FJDZAFGFLAROHY-KPKJPENVSA-N	-1	0	431.788	2.932	40	10		IFCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000408804234	556860229	/nfs/dbraw/zinc/86/02/29/556860229.db2.gz	DORIEJLLPRNVAW-LDADJPATSA-N	-1	0	438.436	2.937	40	10		IFCBRM
COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1O	ZINC000408817930	556864228	/nfs/dbraw/zinc/86/42/28/556864228.db2.gz	YVNSLSQVXZCLRD-MDWZMJQESA-N	-1	0	433.283	2.995	40	10		IFCBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2	ZINC000408903385	556885837	/nfs/dbraw/zinc/88/58/37/556885837.db2.gz	SHKLSFVSKAFBKG-NTEUORMPSA-N	-1	0	429.226	2.887	40	10		IFCBRM
COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(C)c2)C(=O)[N-]C1=S	ZINC000409167072	556982438	/nfs/dbraw/zinc/98/24/38/556982438.db2.gz	ISEKKBKNYZXBHO-SAPNQHFASA-N	-1	0	437.521	2.672	40	10		IFCBRM
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1	ZINC000409187061	556988078	/nfs/dbraw/zinc/98/80/78/556988078.db2.gz	LMONKHNKPYGKRF-VCHYOVAHSA-N	-1	0	426.400	2.823	40	10		IFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1Cl	ZINC000409219126	557013145	/nfs/dbraw/zinc/01/31/45/557013145.db2.gz	JGADNXRGBFBRNR-AWNIVKPZSA-N	-1	0	448.262	2.832	40	10		IFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2)C1=O	ZINC000409237904	557019484	/nfs/dbraw/zinc/01/94/84/557019484.db2.gz	XVGZHQKODVWPFV-CPNJWEJPSA-N	-1	0	437.521	2.672	40	10		IFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)cc2OC)C1=O	ZINC000409235755	557026511	/nfs/dbraw/zinc/02/65/11/557026511.db2.gz	QIRUCOLEESNYCU-XMHGGMMESA-N	-1	0	435.480	2.761	40	10		IFCBRM
CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1OC	ZINC000409246176	557027969	/nfs/dbraw/zinc/02/79/69/557027969.db2.gz	GAIUMHCNKXSBEF-NTUHNPAUSA-N	-1	0	446.257	2.918	40	10		IFCBRM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1Br	ZINC000409243641	557033459	/nfs/dbraw/zinc/03/34/59/557033459.db2.gz	XHLZKFLFWVPVTQ-WUXMJOGZSA-N	-1	0	432.230	2.528	40	10		IFCBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccccc1Cl	ZINC000409272745	557043405	/nfs/dbraw/zinc/04/34/05/557043405.db2.gz	SAKQGUDVVDZXOG-UHFFFAOYSA-N	-1	0	434.235	2.760	40	10		IFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc(Br)c1OC	ZINC000409391880	557096561	/nfs/dbraw/zinc/09/65/61/557096561.db2.gz	KDDRLHAXGACORL-GHXNOFRVSA-N	-1	0	432.230	2.528	40	10		IFCBRM
O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c1	ZINC000106692863	557157607	/nfs/dbraw/zinc/15/76/07/557157607.db2.gz	YVVWCAJESZXCNL-BOPFTXTBSA-N	-1	0	442.449	2.540	40	10		IFCBRM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S	ZINC000051330788	557507479	/nfs/dbraw/zinc/50/74/79/557507479.db2.gz	DBMCGFNCPFLZHU-NUKWSGDCSA-N	-1	0	432.479	2.567	40	10		IFCBRM
C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000107839461	569260678	/nfs/dbraw/zinc/26/06/78/569260678.db2.gz	WKYZRIPTLOEWDS-ZROIWOOFSA-N	-1	0	442.225	2.831	40	10		IFCBRM
CN1C(=O)/C(=C\c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)SC1=S	ZINC000008870001	569480572	/nfs/dbraw/zinc/48/05/72/569480572.db2.gz	LPJPGYODRJVPMW-QRYYFKOISA-N	-1	0	426.519	2.943	40	10		IFCBRM