smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)Nc1ccccc1Cl	ZINC000408999968	231144991	/nfs/dbraw/zinc/14/49/91/231144991.db2.gz	WKDGAOYWQUJPHZ-UHFFFAOYSA-N	-1	0	399.790	2.107	40	10		GECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1	ZINC000408947746	231134370	/nfs/dbraw/zinc/13/43/70/231134370.db2.gz	DATWARLUMQZZLF-VGOFMYFVSA-N	-1	0	396.355	2.099	40	10		GECBRM
O=C(C[C@H]1SC(=O)[N-]C1=O)Oc1ccc(C=C2SC(=O)NC2=S)cc1	ZINC000005766561	204149671	/nfs/dbraw/zinc/14/96/71/204149671.db2.gz	USPCHTAOOKSIOL-JRZFIGEHSA-N	-1	0	394.455	2.458	40	10		GECBRM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(C=C2C(=O)[N-]C(=O)NC2=O)C1=O	ZINC000008665120	204282953	/nfs/dbraw/zinc/28/29/53/204282953.db2.gz	OSEJWEDHCMQAEQ-SAJCGKLUSA-N	-1	0	399.453	2.084	40	10		GECBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc(Cl)c1OC	ZINC000409389431	533473378	/nfs/dbraw/zinc/47/33/78/533473378.db2.gz	BAAJFMSCGYYAJX-KPKJPENVSA-N	-1	0	387.779	2.419	40	10		GECBRM
CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCC(=O)[O-])c(Br)c2)S1	ZINC000409090793	526696258	/nfs/dbraw/zinc/69/62/58/526696258.db2.gz	OPIRTDKBOMZESK-VZUCSPMQSA-N	-1	0	399.222	2.019	40	10		GECBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)cc1	ZINC000408889543	528226046	/nfs/dbraw/zinc/22/60/46/528226046.db2.gz	DXQGEYDERPQHCE-RVDMUPIBSA-N	-1	0	380.356	2.235	40	10		GECBRM
CC(=O)[C@]1(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)CCOC1=O	ZINC000104123351	570297960	/nfs/dbraw/zinc/29/79/60/570297960.db2.gz	WZGSRWZGMUIMAK-DPPKGPFUSA-N	-1	0	388.405	2.241	40	10		GECBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-]	ZINC000059417350	570656199	/nfs/dbraw/zinc/65/61/99/570656199.db2.gz	XAPINNWMMUXNNR-NTEUORMPSA-N	-1	0	398.350	2.466	40	10		GECBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)cc2)C1=O	ZINC000014133125	570877256	/nfs/dbraw/zinc/87/72/56/570877256.db2.gz	OXGWYUHZMQETHX-NBVRZTHBSA-N	-1	0	391.427	2.498	40	10		GECBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(S(=O)(=O)CCO)cc1	ZINC000016160766	570915888	/nfs/dbraw/zinc/91/58/88/570915888.db2.gz	XCDOFIHFTRMLGU-AQTBWJFISA-N	-1	0	385.445	2.171	40	10		GECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3N3CCOCC3)C2=O)cc1	ZINC000408899392	231126159	/nfs/dbraw/zinc/12/61/59/231126159.db2.gz	OXKJUCGUOAELCA-JXAWBTAJSA-N	-1	0	391.427	2.498	40	10		GECBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc([N+](=O)[O-])ccc3O)C2=O)c1	ZINC000005337752	204126609	/nfs/dbraw/zinc/12/66/09/204126609.db2.gz	YNWMNWNWKUSCSQ-LCYFTJDESA-N	-1	0	382.332	2.188	40	10		GECBRM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000006240937	204172315	/nfs/dbraw/zinc/17/23/15/204172315.db2.gz	HQXHWFYOZSVAOL-QCDXTXTGSA-N	-1	0	387.735	2.438	40	10		GECBRM
COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000408974439	533132539	/nfs/dbraw/zinc/13/25/39/533132539.db2.gz	ZXOJXYZIPOIGES-UHFFFAOYSA-N	-1	0	391.723	2.266	40	10		GECBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OC(C)=O)C1=O	ZINC000408529997	534130279	/nfs/dbraw/zinc/13/02/79/534130279.db2.gz	DNWQQOUXILDTDM-KAMYIIQDSA-N	-1	0	380.356	2.287	40	10		GECBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1	ZINC000408809266	534185408	/nfs/dbraw/zinc/18/54/08/534185408.db2.gz	NRKUNNRJYSKFLG-LFIBNONCSA-N	-1	0	380.356	2.148	40	10		GECBRM
COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000102731274	570291738	/nfs/dbraw/zinc/29/17/38/570291738.db2.gz	LZRRNNQKQHFDJQ-WDZFZDKYSA-N	-1	0	376.415	2.240	40	10		GECBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc([N+](=O)[O-])cc2O)C1=O	ZINC000408530821	529586308	/nfs/dbraw/zinc/58/63/08/529586308.db2.gz	MTFFNXKREXVBGK-JLHYYAGUSA-N	-1	0	396.359	2.442	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CN=c1[nH]onc1-c1ccccc1	ZINC000005775537	204151268	/nfs/dbraw/zinc/15/12/68/204151268.db2.gz	RZBLCGRRFBQHOO-KAMYIIQDSA-N	-1	0	375.344	2.315	40	10		GECBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(SCCO)c([N+](=O)[O-])c1	ZINC000006864324	204215973	/nfs/dbraw/zinc/21/59/73/204215973.db2.gz	XKDPVNHFXXUTSZ-GXDHUFHOSA-N	-1	0	385.401	2.141	40	10		GECBRM
COc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000408761216	570470599	/nfs/dbraw/zinc/47/05/99/570470599.db2.gz	CMEOPWFVXSZDNO-GDNBJRDFSA-N	-1	0	383.385	2.435	40	10		GECBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1	ZINC000408992781	570691493	/nfs/dbraw/zinc/69/14/93/570691493.db2.gz	BVNBBJWVMSZZMH-NVNXTCNLSA-N	-1	0	382.376	2.402	40	10		GECBRM
CC(=C\c1ccccc1)/C=C1/SC(=S)N(C=C2C(=O)[N-]C(=O)NC2=O)C1=O	ZINC000017223168	570943533	/nfs/dbraw/zinc/94/35/33/570943533.db2.gz	OSEJWEDHCMQAEQ-OOHIBURESA-N	-1	0	399.453	2.084	40	10		GECBRM
Cc1cccc(NC(=O)COc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)c1C	ZINC000409252721	231187207	/nfs/dbraw/zinc/18/72/07/231187207.db2.gz	VBQOLBWMLABQMY-UHFFFAOYSA-N	-1	0	393.399	2.070	40	10		GECBRM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000408526971	534185234	/nfs/dbraw/zinc/18/52/34/534185234.db2.gz	DNTCDONGIIMKTA-WJDWOHSUSA-N	-1	0	395.371	2.061	40	10		GECBRM
CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408799302	528333870	/nfs/dbraw/zinc/33/38/70/528333870.db2.gz	KFDPOXSDPCIOFC-MHWRWJLKSA-N	-1	0	382.372	2.466	40	10		GECBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408951780	528369683	/nfs/dbraw/zinc/36/96/83/528369683.db2.gz	MPNGMHAOOKAZCR-OQLLNIDSSA-N	-1	0	380.356	2.480	40	10		GECBRM
NC(=O)COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1	ZINC000223300947	570457224	/nfs/dbraw/zinc/45/72/24/570457224.db2.gz	SKHAISWEIGJXRM-UHFFFAOYSA-N	-1	0	389.458	2.475	40	10		GECBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C	ZINC000408994821	231143883	/nfs/dbraw/zinc/14/38/83/231143883.db2.gz	JOXOMTMEDNVQOW-DHDCSXOGSA-N	-1	0	382.376	2.402	40	10		GECBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c1	ZINC000408758113	532721715	/nfs/dbraw/zinc/72/17/15/532721715.db2.gz	GSTDVABUWFSBJV-UHFFFAOYSA-N	-1	0	376.777	2.213	40	10		GECBRM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)NCCCC(=O)[O-])C2=O)cc1	ZINC000005374912	204129616	/nfs/dbraw/zinc/12/96/16/204129616.db2.gz	DBFOIFIPBFZKTB-UKTHLTGXSA-N	-1	0	378.475	2.177	40	10		GECBRM
CC[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374917	204129704	/nfs/dbraw/zinc/12/97/04/204129704.db2.gz	URUZCCYSVPXWGN-FMNNIJNLSA-N	-1	0	378.475	2.176	40	10		GECBRM
CCC[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374834	204129730	/nfs/dbraw/zinc/12/97/30/204129730.db2.gz	PFXIIGIUEHKVLN-FNWMBBJUSA-N	-1	0	378.475	2.257	40	10		GECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1	ZINC000005475577	204134915	/nfs/dbraw/zinc/13/49/15/204134915.db2.gz	WDLQTZVYIQIJDT-GDNBJRDFSA-N	-1	0	382.372	2.466	40	10		GECBRM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)cc1	ZINC000005552865	204140586	/nfs/dbraw/zinc/14/05/86/204140586.db2.gz	NMIOGONCKLPTTM-UKTHLTGXSA-N	-1	0	379.488	2.418	40	10		GECBRM
CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1Br	ZINC000408593336	528293723	/nfs/dbraw/zinc/29/37/23/528293723.db2.gz	PHMYTAVFMDKIFZ-XYOKQWHBSA-N	-1	0	396.241	2.273	40	10		GECBRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(C(N)=O)cc1	ZINC000409130622	231168221	/nfs/dbraw/zinc/16/82/21/231168221.db2.gz	WVFIICMXVCYBMW-OVCLIPMQSA-N	-1	0	399.428	2.314	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1F	ZINC000409395319	231201186	/nfs/dbraw/zinc/20/11/86/231201186.db2.gz	MFVMGWPXEMEKER-LFIBNONCSA-N	-1	0	380.379	2.487	40	10		GECBRM
O=C(C[C@@H]1SC(=O)[N-]C1=O)Oc1ccc(C=C2SC(=O)NC2=S)cc1	ZINC000005766574	204150824	/nfs/dbraw/zinc/15/08/24/204150824.db2.gz	USPCHTAOOKSIOL-QFQXNISHSA-N	-1	0	394.455	2.458	40	10		GECBRM
CC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374883	204129000	/nfs/dbraw/zinc/12/90/00/204129000.db2.gz	NTYITIUDCPZKDP-GMCKNXKJSA-N	-1	0	378.475	2.257	40	10		GECBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OC	ZINC000408954702	533387323	/nfs/dbraw/zinc/38/73/23/533387323.db2.gz	SHRZOMZMEPEBRX-MDWZMJQESA-N	-1	0	396.355	2.099	40	10		GECBRM
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)=O)cc3)C(=O)[N-]C2=S)cc1	ZINC000408752720	533993609	/nfs/dbraw/zinc/99/36/09/533993609.db2.gz	GIINXJMUYFWHRO-BOPFTXTBSA-N	-1	0	396.424	2.452	40	10		GECBRM
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)c2C)c1	ZINC000409000415	534049346	/nfs/dbraw/zinc/04/93/46/534049346.db2.gz	SXFQLRXCOVSYLL-SXGWCWSVSA-N	-1	0	395.415	2.281	40	10		GECBRM
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000058865823	534805839	/nfs/dbraw/zinc/80/58/39/534805839.db2.gz	MXEOTWSMKQRNFI-UHFFFAOYSA-N	-1	0	378.293	2.352	40	10		GECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc([N+](=O)[O-])cc3O)C2=O)c(C)c1	ZINC000018046427	570950153	/nfs/dbraw/zinc/95/01/53/570950153.db2.gz	INAQDBZXANLILQ-UKTHLTGXSA-N	-1	0	396.359	2.496	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)ccc1O	ZINC000408951942	231134646	/nfs/dbraw/zinc/13/46/46/231134646.db2.gz	MYQRTOOTGXYXLK-WUXMJOGZSA-N	-1	0	386.747	2.441	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Br)o1	ZINC000409200737	231179123	/nfs/dbraw/zinc/17/91/23/231179123.db2.gz	KAFFAZNDWVQWJY-YRNVUSSQSA-N	-1	0	377.150	2.414	40	10		GECBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(O)c(Br)c1	ZINC000409372910	534783905	/nfs/dbraw/zinc/78/39/05/534783905.db2.gz	NYOWSLXATXYKNO-IZZDOVSWSA-N	-1	0	391.177	2.410	40	10		GECBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1	ZINC000408878316	528226158	/nfs/dbraw/zinc/22/61/58/528226158.db2.gz	AFXSHYITQYPTAG-LFIBNONCSA-N	-1	0	380.356	2.235	40	10		GECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3ccc(C)cc3)C2=O)cc1	ZINC000408526628	528482335	/nfs/dbraw/zinc/48/23/35/528482335.db2.gz	BTSWRYITFDJCQX-SFQUDFHCSA-N	-1	0	380.404	2.477	40	10		GECBRM
COc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cccc1[N+](=O)[O-]	ZINC000408903078	231127270	/nfs/dbraw/zinc/12/72/70/231127270.db2.gz	OTHYVCAYAVRAIF-UKTHLTGXSA-N	-1	0	385.307	2.409	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1N1CCOCC1	ZINC000408903290	231127631	/nfs/dbraw/zinc/12/76/31/231127631.db2.gz	QIMOOWZJBYKQFQ-LGMDPLHJSA-N	-1	0	395.390	2.329	40	10		GECBRM
CN1C(=O)/C(=C/c2ccccc2OCc2cccc(C(=O)[O-])c2)C(=O)NC1=S	ZINC000408913003	530039767	/nfs/dbraw/zinc/03/97/67/530039767.db2.gz	JLVUDZGNKLZLNJ-XNTDXEJSSA-N	-1	0	396.424	2.220	40	10		GECBRM
O=C([O-])CN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S	ZINC000001792762	531503405	/nfs/dbraw/zinc/50/34/05/531503405.db2.gz	CTOMSBQBVVWGNS-KTKRTIGZSA-N	-1	0	399.247	2.057	40	10		GECBRM
CC(C)[C@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374852	204129200	/nfs/dbraw/zinc/12/92/00/204129200.db2.gz	DCDYOPASFZCABO-UNJUUPHPSA-N	-1	0	378.475	2.113	40	10		GECBRM
CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036352294	204300442	/nfs/dbraw/zinc/30/04/42/204300442.db2.gz	DRSAIYRXFCHPKO-WDZFZDKYSA-N	-1	0	398.418	2.073	40	10		GECBRM
C[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374972	206608979	/nfs/dbraw/zinc/60/89/79/206608979.db2.gz	GYSQGZQMCCYOHL-RWRICWLPSA-N	-1	0	390.486	2.423	40	10		GECBRM
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCC(=O)[O-])C2=O)cc1	ZINC000005374944	206609133	/nfs/dbraw/zinc/60/91/33/206609133.db2.gz	FIBJJIHUXRKPGN-JLHYYAGUSA-N	-1	0	378.475	2.177	40	10		GECBRM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1	ZINC000408912970	533554410	/nfs/dbraw/zinc/55/44/10/533554410.db2.gz	IWTJMVPLOGMTDH-CXUHLZMHSA-N	-1	0	398.346	2.044	40	10		GECBRM
O=C(COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1)Nc1ccc(Cl)cc1	ZINC000409219646	534629494	/nfs/dbraw/zinc/62/94/94/534629494.db2.gz	SSRBWRSGUYXDGN-UHFFFAOYSA-N	-1	0	399.790	2.107	40	10		GECBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCC(=O)OC	ZINC000409405631	528194090	/nfs/dbraw/zinc/19/40/90/528194090.db2.gz	IGGRCUHKWYEZHV-WJDWOHSUSA-N	-1	0	396.399	2.099	40	10		GECBRM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000408547089	528226186	/nfs/dbraw/zinc/22/61/86/528226186.db2.gz	UELWSIIEVPHWIZ-GDNBJRDFSA-N	-1	0	383.360	2.031	40	10		GECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O	ZINC000408937161	570687288	/nfs/dbraw/zinc/68/72/88/570687288.db2.gz	MOWLZNFWDMQIPY-NTEUORMPSA-N	-1	0	397.343	2.366	40	10		GECBRM
C=C(c1ccc([N+](=O)[O-])cc1)C1SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000008821615	531548082	/nfs/dbraw/zinc/54/80/82/531548082.db2.gz	WNIWTIFOHSLVJJ-DHZHZOJOSA-N	-1	0	388.448	2.074	40	10		GECBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccccc3)C1=O)OCO2	ZINC000409072973	533152773	/nfs/dbraw/zinc/15/27/73/533152773.db2.gz	OEOSNTCYQIVAMW-QPEQYQDCSA-N	-1	0	382.397	2.255	40	10		GECBRM
Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C1=O)OCO2	ZINC000408951634	231135014	/nfs/dbraw/zinc/13/50/14/231135014.db2.gz	MCKPLTIXEGRXBI-WLRTZDKTSA-N	-1	0	394.339	2.119	40	10		GECBRM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000409202615	231178883	/nfs/dbraw/zinc/17/88/83/231178883.db2.gz	SDWUOBZOUXAOLW-RIYZIHGNSA-N	-1	0	382.288	2.169	40	10		GECBRM
CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNC(C)C)C1=O	ZINC000408535950	529509418	/nfs/dbraw/zinc/50/94/18/529509418.db2.gz	UUZKEKUISUJXCZ-XYOKQWHBSA-N	-1	0	380.242	2.476	40	10		GECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1C	ZINC000018157986	207094281	/nfs/dbraw/zinc/09/42/81/207094281.db2.gz	ISSFVIIGCVFUDS-NTEUORMPSA-N	-1	0	391.387	2.052	40	10		GECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1C	ZINC000100947701	136189376	/nfs/dbraw/zinc/18/93/76/136189376.db2.gz	ISSFVIIGCVFUDS-ZROIWOOFSA-N	-1	0	391.387	2.464	40	10		GECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)cc3[N+](=O)[O-])C2=O)cc1	ZINC000408529288	533997125	/nfs/dbraw/zinc/99/71/25/533997125.db2.gz	HJVLZQXYNJEGIJ-UVTDQMKNSA-N	-1	0	396.359	2.491	40	10		GECBRM
Nc1[nH]c(=O)[nH]c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104090670	570297535	/nfs/dbraw/zinc/29/75/35/570297535.db2.gz	KANOSDATHMBFNI-MRCUWXFGSA-N	-1	0	387.381	2.081	40	10		GECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000408952319	231135405	/nfs/dbraw/zinc/13/54/05/231135405.db2.gz	NFGLCANGYHJRCQ-NTUHNPAUSA-N	-1	0	396.355	2.099	40	10		GECBRM
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)c1C	ZINC000409266040	231188636	/nfs/dbraw/zinc/18/86/36/231188636.db2.gz	JHQVRQPPIWUQGR-UHFFFAOYSA-N	-1	0	393.399	2.070	40	10		GECBRM
CN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)NC1=S	ZINC000408913984	530039619	/nfs/dbraw/zinc/03/96/19/530039619.db2.gz	WSFVSPPOEOZZIF-MHWRWJLKSA-N	-1	0	396.424	2.220	40	10		GECBRM
O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000005371581	531518608	/nfs/dbraw/zinc/51/86/08/531518608.db2.gz	UXEGKWYTVUWANC-FNORWQNLSA-N	-1	0	398.281	2.131	40	10		GECBRM
COc1ccc(NNC=C2C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1	ZINC000408530653	534187086	/nfs/dbraw/zinc/18/70/86/534187086.db2.gz	JLBLETUKDDACDK-LFIBNONCSA-N	-1	0	380.404	2.395	40	10		GECBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC	ZINC000408804169	528369237	/nfs/dbraw/zinc/36/92/37/528369237.db2.gz	CTICIXGXEWKBFS-XNTDXEJSSA-N	-1	0	382.372	2.466	40	10		GECBRM
COC(=O)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000001100201	536604525	/nfs/dbraw/zinc/60/45/25/536604525.db2.gz	XLUQWNKHOKHJOD-JLHYYAGUSA-N	-1	0	384.388	2.444	40	10		GECBRM
Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)cc1C	ZINC000409007912	570692759	/nfs/dbraw/zinc/69/27/59/570692759.db2.gz	RRFNAGMQMAFVOL-UHFFFAOYSA-N	-1	0	393.399	2.070	40	10		GECBRM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1	ZINC000003040835	570723001	/nfs/dbraw/zinc/72/30/01/570723001.db2.gz	IDKRSUVSJPUJCF-YRNVUSSQSA-N	-1	0	378.138	2.412	40	10		GECBRM
CN1C(=O)C(=Cc2cc(Br)cc(Cl)c2[O-])C(=O)N(C)C1=S	ZINC000059139223	531838558	/nfs/dbraw/zinc/83/85/58/531838558.db2.gz	GXXVUQUVMLFOBK-UHFFFAOYSA-N	-1	0	389.658	2.407	40	10		GECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408535460	533996261	/nfs/dbraw/zinc/99/62/61/533996261.db2.gz	STPAORWBCGZBNU-GDNBJRDFSA-N	-1	0	382.332	2.182	40	10		GECBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc([N+](=O)[O-])c2)C1=O	ZINC000408528749	534129322	/nfs/dbraw/zinc/12/93/22/534129322.db2.gz	IDXWPANXRSBDOP-JLHYYAGUSA-N	-1	0	382.332	2.182	40	10		GECBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)[N-]C1=S	ZINC000409250125	534821564	/nfs/dbraw/zinc/82/15/64/534821564.db2.gz	WDUXHTOVFAFHFD-NTCAYCPXSA-N	-1	0	397.456	2.256	40	10		GECBRM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1C	ZINC000409252815	231187402	/nfs/dbraw/zinc/18/74/02/231187402.db2.gz	DZFDPHASHALDHN-UHFFFAOYSA-N	-1	0	393.399	2.070	40	10		GECBRM
COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000034780830	206257354	/nfs/dbraw/zinc/25/73/54/206257354.db2.gz	HBIAJXLWPXOFJD-KLDHPSGWSA-N	-1	0	398.418	2.072	40	10		GECBRM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C1=O)OCO2	ZINC000408968180	533152734	/nfs/dbraw/zinc/15/27/34/533152734.db2.gz	ZVQMSCCXQBBWED-VGOFMYFVSA-N	-1	0	380.356	2.399	40	10		GECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(NC(C)=O)c3)C2=O)cc1	ZINC000408529849	533996672	/nfs/dbraw/zinc/99/66/72/533996672.db2.gz	IDGHHXJPDRXVAH-BOPFTXTBSA-N	-1	0	394.387	2.232	40	10		GECBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc([N+](=O)[O-])c(C)c2)C1=O	ZINC000408533513	534129769	/nfs/dbraw/zinc/12/97/69/534129769.db2.gz	SUTHNMDWIYALQY-JLHYYAGUSA-N	-1	0	396.359	2.491	40	10		GECBRM
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000408763088	570667129	/nfs/dbraw/zinc/66/71/29/570667129.db2.gz	HJNZNHVGEKGVGK-GDNBJRDFSA-N	-1	0	383.385	2.435	40	10		GECBRM
COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O	ZINC000408912293	231129852	/nfs/dbraw/zinc/12/98/52/231129852.db2.gz	FABHZMFDVOMZEP-RIYZIHGNSA-N	-1	0	385.307	2.409	40	10		GECBRM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408912302	231129536	/nfs/dbraw/zinc/12/95/36/231129536.db2.gz	FCHLTRFZQDHJPS-OQLLNIDSSA-N	-1	0	383.429	2.049	40	10		GECBRM
CN1C(=O)/C(=C\c2ccc(C(=O)N3CSC[C@@H]3C(=O)[O-])cc2)SC1=S	ZINC000005374750	531517795	/nfs/dbraw/zinc/51/77/95/531517795.db2.gz	JGQIBIWIZSGQJL-GGQLTLKSSA-N	-1	0	394.499	2.117	40	10		GECBRM
O=C([O-])[C@@H]1SCCN1S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1	ZINC000000866384	531501467	/nfs/dbraw/zinc/50/14/67/531501467.db2.gz	DXIWQQDLNYUZKV-VUAZUDAXSA-N	-1	0	384.483	2.319	40	10		GECBRM
CC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374880	531519156	/nfs/dbraw/zinc/51/91/56/531519156.db2.gz	NTYITIUDCPZKDP-CVCOIXHCSA-N	-1	0	378.475	2.257	40	10		GECBRM
COC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000034780828	206257062	/nfs/dbraw/zinc/25/70/62/206257062.db2.gz	HBIAJXLWPXOFJD-KSRYWAHESA-N	-1	0	398.418	2.072	40	10		GECBRM
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000005374948	206609067	/nfs/dbraw/zinc/60/90/67/206609067.db2.gz	OCMIEARXWKSHRM-VSXLWIIGSA-N	-1	0	378.475	2.176	40	10		GECBRM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C1=O)OCO2	ZINC000408962026	533152434	/nfs/dbraw/zinc/15/24/34/533152434.db2.gz	FQWGIDAMSYBCJR-AWNIVKPZSA-N	-1	0	384.319	2.229	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Br)cn1	ZINC000006474566	136195143	/nfs/dbraw/zinc/19/51/43/136195143.db2.gz	CDFWSYRLXOSVKP-XFXZXTDPSA-N	-1	0	387.193	2.423	40	10		GECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(C)=O)C2=O)cc1	ZINC000408536554	533996432	/nfs/dbraw/zinc/99/64/32/533996432.db2.gz	RZGRAMREQFBTJR-WJDWOHSUSA-N	-1	0	380.356	2.287	40	10		GECBRM
Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408999449	534143517	/nfs/dbraw/zinc/14/35/17/534143517.db2.gz	LEHPVXUHGOGIJA-UHFFFAOYSA-N	-1	0	383.429	2.015	40	10		GECBRM
COc1c(Cl)cc(C=C2C(=O)NC(=S)N(C)C2=O)cc1Br	ZINC000001097004	570714688	/nfs/dbraw/zinc/71/46/88/570714688.db2.gz	CXKUZIXZVNYVCB-XVNBXDOJSA-N	-1	0	389.658	2.368	40	10		GECBRM
COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O	ZINC000409133831	231169108	/nfs/dbraw/zinc/16/91/08/231169108.db2.gz	UMUKAKLCLXHIMZ-OVCLIPMQSA-N	-1	0	392.433	2.425	40	10		GECBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408948374	529775098	/nfs/dbraw/zinc/77/50/98/529775098.db2.gz	FUNBKEWUDAUTBC-OQLLNIDSSA-N	-1	0	379.372	2.148	40	10		GECBRM
CC(C)[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000005374746	206608808	/nfs/dbraw/zinc/60/88/08/206608808.db2.gz	VRXLZFHVAWUGDH-YQCJOKCJSA-N	-1	0	378.475	2.357	40	10		GECBRM
O=C([O-])[C@H]1CC(c2ccc3c(c2)CCCC3)=NN1/C=C1\SC(=S)NC1=O	ZINC000256027974	209046624	/nfs/dbraw/zinc/04/66/24/209046624.db2.gz	MHXQSPMOZUTEHU-WJQTUHTMSA-N	-1	0	387.486	2.418	40	10		GECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3ccccc3Cl)C2=O)cc1	ZINC000408535578	533997082	/nfs/dbraw/zinc/99/70/82/533997082.db2.gz	YZDGVCAWRFBZEC-RAXLEYEMSA-N	-1	0	386.795	2.432	40	10		GECBRM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000409003407	534143944	/nfs/dbraw/zinc/14/39/44/534143944.db2.gz	ZZSBOVNKYYGERQ-UHFFFAOYSA-N	-1	0	388.767	2.405	40	10		GECBRM
O=C(COc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)cc1	ZINC000409224237	534637360	/nfs/dbraw/zinc/63/73/60/534637360.db2.gz	KJTRVZCJMLOXAU-UHFFFAOYSA-N	-1	0	399.790	2.107	40	10		GECBRM
CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)[O-])C3=O)c2C)cc1	ZINC000408591673	528358485	/nfs/dbraw/zinc/35/84/85/528358485.db2.gz	JWUHRKJEANOCMQ-LICLKQGHSA-N	-1	0	383.404	2.470	40	10		GECBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O	ZINC000408956063	528627122	/nfs/dbraw/zinc/62/71/22/528627122.db2.gz	VTZSWXLMUIEZSA-MDWZMJQESA-N	-1	0	396.355	2.186	40	10		GECBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc(OC)c1O	ZINC000006180724	570471152	/nfs/dbraw/zinc/47/11/52/570471152.db2.gz	HVKBUPZEWNNCED-XNTDXEJSSA-N	-1	0	396.399	2.114	40	10		GECBRM
O=C(N/C=C1\C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O)Nc1ccccc1	ZINC000408536287	231053397	/nfs/dbraw/zinc/05/33/97/231053397.db2.gz	VTNMEWBNYYLVLG-DTQAZKPQSA-N	-1	0	378.388	2.013	40	10		GECBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408741713	231110919	/nfs/dbraw/zinc/11/09/19/231110919.db2.gz	RRMGQCUJWMENIK-JYRVWZFOSA-N	-1	0	397.343	2.278	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1	ZINC000409135100	231169398	/nfs/dbraw/zinc/16/93/98/231169398.db2.gz	PTKTWNNHWHXZNL-FOWTUZBSSA-N	-1	0	395.390	2.329	40	10		GECBRM
Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000409262700	231188675	/nfs/dbraw/zinc/18/86/75/231188675.db2.gz	GLYWOUWEONQRNX-UHFFFAOYSA-N	-1	0	393.399	2.070	40	10		GECBRM
O=C([O-])[C@@H](CO)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000005374223	531518435	/nfs/dbraw/zinc/51/84/35/531518435.db2.gz	OUPGMQIYDWZRLQ-JRZFIGEHSA-N	-1	0	388.264	2.096	40	10		GECBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1N1CCOCC1	ZINC000004973742	136194491	/nfs/dbraw/zinc/19/44/91/136194491.db2.gz	NVCJERGDIVYIJN-GHRIWEEISA-N	-1	0	383.448	2.236	40	10		GECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3O)C2=O)cc1	ZINC000019533431	136202361	/nfs/dbraw/zinc/20/23/61/136202361.db2.gz	LQMDOIVJKCIZNC-PTNGSMBKSA-N	-1	0	382.372	2.466	40	10		GECBRM
O=C(COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1)Nc1ccccc1Cl	ZINC000409259834	534629570	/nfs/dbraw/zinc/62/95/70/534629570.db2.gz	GGKMRLZSQGFMGG-UHFFFAOYSA-N	-1	0	399.790	2.107	40	10		GECBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3O)C2=O)cc1	ZINC000408886192	528482481	/nfs/dbraw/zinc/48/24/81/528482481.db2.gz	ITTXUKRWGRRODI-MHWRWJLKSA-N	-1	0	382.372	2.466	40	10		GECBRM
COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000408903796	231126765	/nfs/dbraw/zinc/12/67/65/231126765.db2.gz	ZJTRYJKWZDTWKK-NTEUORMPSA-N	-1	0	385.307	2.409	40	10		GECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	ZINC000408801790	231115388	/nfs/dbraw/zinc/11/53/88/231115388.db2.gz	BRSKJOIXCQYKTM-RIYZIHGNSA-N	-1	0	397.343	2.278	40	10		GECBRM
COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1	ZINC000408952579	534223930	/nfs/dbraw/zinc/22/39/30/534223930.db2.gz	OJKPCMOVUBBDMC-RIYZIHGNSA-N	-1	0	396.355	2.099	40	10		GECBRM
CN1N=C(c2ccccc2O)C(=Cc2c(=O)n(C)[n-]c2-c2ccccc2O)C1=O	ZINC000006494270	570481778	/nfs/dbraw/zinc/48/17/78/570481778.db2.gz	LZMOSQVQXPUMNT-RVDMUPIBSA-N	-1	0	390.399	2.464	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000409119862	231166099	/nfs/dbraw/zinc/16/60/99/231166099.db2.gz	UDUXHXVNKBIJCU-DTQAZKPQSA-N	-1	0	395.390	2.329	40	10		GECBRM
CN1N=C(c2ccccc2O)C(=Cc2c(=O)n(C)[n-]c2-c2ccccc2O)C1=O	ZINC000016952600	210198929	/nfs/dbraw/zinc/19/89/29/210198929.db2.gz	LZMOSQVQXPUMNT-PTNGSMBKSA-N	-1	0	390.399	2.464	40	10		GECBRM
O=C([O-])CNC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	ZINC000016805905	210197423	/nfs/dbraw/zinc/19/74/23/210197423.db2.gz	MJPRDPOGOVKHDX-XOHVCTMJSA-N	-1	0	376.459	2.035	40	10		GECBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3)C2=O)cc1	ZINC000001174679	209309769	/nfs/dbraw/zinc/30/97/69/209309769.db2.gz	GXRZWAQLCLALQV-WJDWOHSUSA-N	-1	0	380.356	2.148	40	10		GECBRM
CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)c2C)cc1	ZINC000409000596	527117661	/nfs/dbraw/zinc/11/76/61/527117661.db2.gz	UBQVYGIUFZHGDA-YVLHZVERSA-N	-1	0	381.388	2.111	40	10		GECBRM
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409077620	528196145	/nfs/dbraw/zinc/19/61/45/528196145.db2.gz	FPZFLBLKCMFQAD-WUXMJOGZSA-N	-1	0	398.824	2.309	40	10		GECBRM
Nc1[nH]c(=O)[nH]c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000104090650	570297458	/nfs/dbraw/zinc/29/74/58/570297458.db2.gz	QZSFRVURQJOQBW-HNENSFHCSA-N	-1	0	393.410	2.143	40	10		GECBRM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCC(=O)NCC(=O)[O-])C1=O	ZINC000005374988	570436288	/nfs/dbraw/zinc/43/62/88/570436288.db2.gz	FGSZEJOJOGPRTJ-FNIWZSMSSA-N	-1	0	390.486	2.425	40	10		GECBRM
O=C1[N-]C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1	ZINC000059426500	570657003	/nfs/dbraw/zinc/65/70/03/570657003.db2.gz	QBMSDRPUMVCLOO-UHFFFAOYSA-N	-1	0	398.287	2.045	40	10		GECBRM
O=C([O-])[C@@H]1CC(c2ccc3c(c2)CCCC3)=NN1/C=C1\SC(=S)NC1=O	ZINC000256027973	570758060	/nfs/dbraw/zinc/75/80/60/570758060.db2.gz	MHXQSPMOZUTEHU-BUYRESAOSA-N	-1	0	387.486	2.418	40	10		GECBRM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408912651	231129287	/nfs/dbraw/zinc/12/92/87/231129287.db2.gz	RKSBYKSQFUTETK-OQLLNIDSSA-N	-1	0	397.456	2.357	40	10		GECBRM
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c1C	ZINC000409002980	231145722	/nfs/dbraw/zinc/14/57/22/231145722.db2.gz	XRGHRLGVXULPNA-ZSOIEALJSA-N	-1	0	398.375	2.103	40	10		GECBRM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	ZINC000409209284	231181622	/nfs/dbraw/zinc/18/16/22/231181622.db2.gz	IORQJKCRSBJIHK-RIYZIHGNSA-N	-1	0	382.288	2.169	40	10		GECBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)OCO4)C2=O)c1	ZINC000100132091	136189026	/nfs/dbraw/zinc/18/90/26/136189026.db2.gz	LZTPRQHDJKJPMT-ZROIWOOFSA-N	-1	0	381.344	2.003	40	10		GECBRM
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)c2C)c1	ZINC000408995019	528246389	/nfs/dbraw/zinc/24/63/89/528246389.db2.gz	KSAQYBDFURQDGI-BOPFTXTBSA-N	-1	0	395.415	2.362	40	10		GECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1O	ZINC000013425320	535659141	/nfs/dbraw/zinc/65/91/41/535659141.db2.gz	JQKOPTXJJMPRIZ-NTUHNPAUSA-N	-1	0	396.355	2.186	40	10		GECBRM
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)c2C)cc1	ZINC000408992412	570690620	/nfs/dbraw/zinc/69/06/20/570690620.db2.gz	BEXNHJOTYBMGEF-BOPFTXTBSA-N	-1	0	395.415	2.362	40	10		GECBRM
Cc1nnc(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)[O-])o1	ZINC000408632092	231090191	/nfs/dbraw/zinc/09/01/91/231090191.db2.gz	SKIPPMLIKNNHLG-NTEUORMPSA-N	-1	0	392.393	2.341	40	10		GECBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl)Nc1ccccc1	ZINC000409049167	231151609	/nfs/dbraw/zinc/15/16/09/231151609.db2.gz	VFMGMZMQXYORSC-UHFFFAOYSA-N	-1	0	399.790	2.107	40	10		GECBRM
CC(=O)N1c2ccccc2/C(=C2\SC(=S)N(CCCC(=O)[O-])C2=O)C1=O	ZINC000003192001	211519573	/nfs/dbraw/zinc/51/95/73/211519573.db2.gz	LFKCTVGHCSUFQG-BUHFOSPRSA-N	-1	0	390.442	2.016	40	10		GECBRM
COc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccncc2)C1=O	ZINC000409396412	532954002	/nfs/dbraw/zinc/95/40/02/532954002.db2.gz	YEHZSSJVKCRRAF-SFQUDFHCSA-N	-1	0	392.415	2.357	40	10		GECBRM
COC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000103518266	136196581	/nfs/dbraw/zinc/19/65/81/136196581.db2.gz	ODAKOQGHDIFQJK-LFIBNONCSA-N	-1	0	394.383	2.213	40	10		GECBRM
Cc1nnc(SC(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)[O-])[nH]1	ZINC000409191187	534523696	/nfs/dbraw/zinc/52/36/96/534523696.db2.gz	DCDXADNKHRWGET-NTEUORMPSA-N	-1	0	391.409	2.076	40	10		GECBRM
CC(C)(C)N1C(=O)/C(=C2\c3ccccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000005552091	570445419	/nfs/dbraw/zinc/44/54/19/570445419.db2.gz	TTZOMRSICRMYEI-SEYXRHQNSA-N	-1	0	376.459	2.488	40	10		GECBRM
C#CCOc1c(OC)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033366380	570645302	/nfs/dbraw/zinc/64/53/02/570645302.db2.gz	DONYWFOHLODXMR-GDNBJRDFSA-N	-1	0	393.355	2.077	40	10		GECBRM
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000059139630	570650676	/nfs/dbraw/zinc/65/06/76/570650676.db2.gz	WUWKYBPVQMQGJI-UHFFFAOYSA-N	-1	0	397.456	2.391	40	10		GECBRM
O=C([O-])CN1C(=O)/C(=C\c2cc(Br)c(O)cc2O)SC1=S	ZINC000408731954	231107566	/nfs/dbraw/zinc/10/75/66/231107566.db2.gz	NQAPPWUFJAABFO-XNWCZRBMSA-N	-1	0	390.236	2.146	40	10		GECBRM
Cc1cccc(NC(=O)COc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)c1C	ZINC000409251424	231187972	/nfs/dbraw/zinc/18/79/72/231187972.db2.gz	POZHWWZQIWALGZ-UHFFFAOYSA-N	-1	0	393.399	2.070	40	10		GECBRM
CN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)N(C)C1=O	ZINC000408857725	530039988	/nfs/dbraw/zinc/03/99/88/530039988.db2.gz	MALHGPQCZMYFBJ-UHFFFAOYSA-N	-1	0	394.383	2.398	40	10		GECBRM
CC(C)[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000005374745	531518062	/nfs/dbraw/zinc/51/80/62/531518062.db2.gz	VRXLZFHVAWUGDH-RPHSKFLZSA-N	-1	0	378.475	2.357	40	10		GECBRM
CC(=C/c1ccccc1)/C=C1\SC(=S)N(C=C2C(=O)[N-]C(=O)NC2=O)C1=O	ZINC000001637174	209335818	/nfs/dbraw/zinc/33/58/18/209335818.db2.gz	OSEJWEDHCMQAEQ-VQHBBHOASA-N	-1	0	399.453	2.084	40	10		GECBRM
O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C1\C(=O)Nc2ccccc21	ZINC000001084640	209298687	/nfs/dbraw/zinc/29/86/87/209298687.db2.gz	OHJHTYUYGIQFIJ-YPKPFQOOSA-N	-1	0	384.189	2.233	40	10		GECBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409095696	533995207	/nfs/dbraw/zinc/99/52/07/533995207.db2.gz	IIIWGWGUEDMXRJ-NTEUORMPSA-N	-1	0	384.413	2.241	40	10		GECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1	ZINC000408538748	533996701	/nfs/dbraw/zinc/99/67/01/533996701.db2.gz	QDGWNKJGSMCRNH-GDNBJRDFSA-N	-1	0	396.359	2.491	40	10		GECBRM
COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)c2C)c1C	ZINC000409000954	534252804	/nfs/dbraw/zinc/25/28/04/534252804.db2.gz	ZFUFWBXWNJCLDN-YBEGLDIGSA-N	-1	0	395.415	2.281	40	10		GECBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc3[nH]c(=O)[nH]c3c2)C1=O	ZINC000408536871	534821348	/nfs/dbraw/zinc/82/13/48/534821348.db2.gz	BPAURXNBZKNXCO-FMIVXFBMSA-N	-1	0	377.360	2.156	40	10		GECBRM
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)CCO)cc1	ZINC000408529136	528150249	/nfs/dbraw/zinc/15/02/49/528150249.db2.gz	HBBBJTAVIGTPQB-UYRXBGFRSA-N	-1	0	399.472	2.480	40	10		GECBRM
CCn1c(=O)c(-c2[n-][nH]c(=O)c2C=Nc2nccs2)c(O)c2ccccc21	ZINC000101628221	570277092	/nfs/dbraw/zinc/27/70/92/570277092.db2.gz	IIPSREJMYDGZAF-LUAWRHEFSA-N	-1	0	381.417	2.013	40	10		GECBRM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H](C(=O)[O-])C(C)C)C2=O)cc1	ZINC000005374935	570569135	/nfs/dbraw/zinc/56/91/35/570569135.db2.gz	GPJVITVYTKDPNI-NRUITVPNSA-N	-1	0	392.502	2.422	40	10		GECBRM
CN1C(=O)C(=Cc2cc(Cl)cc(Br)c2[O-])C(=O)N(C)C1=S	ZINC000059139265	570650695	/nfs/dbraw/zinc/65/06/95/570650695.db2.gz	GSGZHLIZLVGEDH-UHFFFAOYSA-N	-1	0	389.658	2.407	40	10		GECBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1	ZINC000004999327	570730721	/nfs/dbraw/zinc/73/07/21/570730721.db2.gz	MLZJHUBNRVZBFL-LFIBNONCSA-N	-1	0	386.404	2.033	40	10		GECBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNCc1ccco1	ZINC000109995961	643304379	/nfs/dbraw/zinc/30/43/79/643304379.db2.gz	HNGJOJJKZIUMFD-FLIBITNWSA-N	-1	0	379.800	2.494	40	10		GECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4[nH]c(=O)[nH]c4c3)C2=O)c(C)c1	ZINC000408527089	231050035	/nfs/dbraw/zinc/05/00/35/231050035.db2.gz	DYOVKURDXWSVSC-UKTHLTGXSA-N	-1	0	391.387	2.464	40	10		GECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1C	ZINC000408947295	231133740	/nfs/dbraw/zinc/13/37/40/231133740.db2.gz	BUDHTSMVSPONGQ-RIYZIHGNSA-N	-1	0	380.356	2.399	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1	ZINC000409395124	231201238	/nfs/dbraw/zinc/20/12/38/231201238.db2.gz	KDIPUAVUOCCFIZ-RVDMUPIBSA-N	-1	0	380.379	2.487	40	10		GECBRM
CN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2[O-])C(=O)NC1=S	ZINC000408913767	530039827	/nfs/dbraw/zinc/03/98/27/530039827.db2.gz	NQDICYMSQKJYMW-XVNBXDOJSA-N	-1	0	375.631	2.065	40	10		GECBRM
O=C([O-])[C@H](CO)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000005374222	209590669	/nfs/dbraw/zinc/59/06/69/209590669.db2.gz	OUPGMQIYDWZRLQ-QFQXNISHSA-N	-1	0	388.264	2.096	40	10		GECBRM
CC[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374915	209590399	/nfs/dbraw/zinc/59/03/99/209590399.db2.gz	URUZCCYSVPXWGN-OXBCTQFSSA-N	-1	0	378.475	2.176	40	10		GECBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCc1nc2ccccc2[nH]1	ZINC000019691338	210280757	/nfs/dbraw/zinc/28/07/57/210280757.db2.gz	IVPZCVUKQQMNSN-LCYFTJDESA-N	-1	0	395.806	2.473	40	10		GECBRM
O=C1[N-]C(=O)C(=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1	ZINC000409076882	534784342	/nfs/dbraw/zinc/78/43/42/534784342.db2.gz	CGAKRCKEMBJTPD-UHFFFAOYSA-N	-1	0	398.287	2.045	40	10		GECBRM
CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OC(C)=O	ZINC000409338522	528196926	/nfs/dbraw/zinc/19/69/26/528196926.db2.gz	LHVBKNXFSSPAMK-QPEQYQDCSA-N	-1	0	381.431	2.296	40	10		GECBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccccc3)C1=O)OCO2	ZINC000409114059	528338002	/nfs/dbraw/zinc/33/80/02/528338002.db2.gz	IJRIRCYPPVDVQC-ZSOIEALJSA-N	-1	0	380.356	2.480	40	10		GECBRM
CCn1nc(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c1C	ZINC000408757916	570549678	/nfs/dbraw/zinc/54/96/78/570549678.db2.gz	SERVFPIJMMIUCC-GDNBJRDFSA-N	-1	0	383.408	2.107	40	10		GECBRM
O=C([O-])[C@H]1SCCN1S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1	ZINC000004831842	570633386	/nfs/dbraw/zinc/63/33/86/570633386.db2.gz	DXIWQQDLNYUZKV-UVTIVQHFSA-N	-1	0	384.483	2.319	40	10		GECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)oc(=O)n4C)C2=O)cc1	ZINC000016292708	570921132	/nfs/dbraw/zinc/92/11/32/570921132.db2.gz	KVVAQRBXVRNHQY-UVTDQMKNSA-N	-1	0	392.371	2.019	40	10		GECBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNCc1cccnc1	ZINC000408550671	231057486	/nfs/dbraw/zinc/05/74/86/231057486.db2.gz	IUNJWGNKAYGTHV-XFXZXTDPSA-N	-1	0	390.827	2.296	40	10		GECBRM
CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)NC1=S	ZINC000408913429	530039815	/nfs/dbraw/zinc/03/98/15/530039815.db2.gz	UJSQRJPLLUXLEJ-MHWRWJLKSA-N	-1	0	396.424	2.220	40	10		GECBRM
CC(C)[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374853	209591204	/nfs/dbraw/zinc/59/12/04/209591204.db2.gz	DCDYOPASFZCABO-ICDLMJIXSA-N	-1	0	378.475	2.113	40	10		GECBRM
CN1C(=O)/C(=C\c2ccc(C(=O)N3CSC[C@H]3C(=O)[O-])cc2)SC1=S	ZINC000005374752	209590197	/nfs/dbraw/zinc/59/01/97/209590197.db2.gz	JGQIBIWIZSGQJL-DREKTBMASA-N	-1	0	394.499	2.117	40	10		GECBRM
COc1cc(/C=C2/C(=O)N(CCC(=O)[O-])N=C2C)cc(Br)c1O	ZINC000005657131	212068934	/nfs/dbraw/zinc/06/89/34/212068934.db2.gz	JVAMMWBLQLNIGD-BJMVGYQFSA-N	-1	0	383.198	2.240	40	10		GECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3OC)OCO4)C2=O)cc1	ZINC000001420974	212060595	/nfs/dbraw/zinc/06/05/95/212060595.db2.gz	XZHONRWAHOAFGC-VGOFMYFVSA-N	-1	0	396.355	2.099	40	10		GECBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc2c1OCO2	ZINC000408964031	533473265	/nfs/dbraw/zinc/47/32/65/533473265.db2.gz	FGIAIYHFHFRNCD-VGOFMYFVSA-N	-1	0	380.356	2.399	40	10		GECBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1[N+](=O)[O-]	ZINC000408853145	534248225	/nfs/dbraw/zinc/24/82/25/534248225.db2.gz	MAIUDJLYRZZART-AWNIVKPZSA-N	-1	0	395.327	2.298	40	10		GECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OC	ZINC000408804331	528195815	/nfs/dbraw/zinc/19/58/15/528195815.db2.gz	XQCUIHUJPNOFFK-XNTDXEJSSA-N	-1	0	382.372	2.466	40	10		GECBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1	ZINC000408547080	528248118	/nfs/dbraw/zinc/24/81/18/528248118.db2.gz	RYJWAQLAWJMSBK-GDNBJRDFSA-N	-1	0	383.360	2.031	40	10		GECBRM
NC1=NC(=O)C(=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(N)=N1	ZINC000104065691	570297545	/nfs/dbraw/zinc/29/75/45/570297545.db2.gz	PMILDJZWASFJHV-FMQUCBEESA-N	-1	0	392.426	2.019	40	10		GECBRM
CCn1c(=O)c(C2=NNC(=O)C2=Cc2ccc(O)cc2)c([O-])c2ccccc21	ZINC000102208915	570352115	/nfs/dbraw/zinc/35/21/15/570352115.db2.gz	ASSXTZKFNUHBFF-PTNGSMBKSA-N	-1	0	375.384	2.350	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000408942616	231134283	/nfs/dbraw/zinc/13/42/83/231134283.db2.gz	ZSPBSHOYROKXJC-NTEUORMPSA-N	-1	0	382.288	2.169	40	10		GECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3cccc(Cl)c3)C2=O)cc1	ZINC000408528641	533996096	/nfs/dbraw/zinc/99/60/96/533996096.db2.gz	HYRXPLCSCRRNLC-GDNBJRDFSA-N	-1	0	386.795	2.432	40	10		GECBRM
COc1ccccc1NNC=C1C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O	ZINC000408538485	534188889	/nfs/dbraw/zinc/18/88/89/534188889.db2.gz	NSUZSCGHOXZCFJ-SDNWHVSQSA-N	-1	0	380.404	2.395	40	10		GECBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)cc1	ZINC000005791358	536184009	/nfs/dbraw/zinc/18/40/09/536184009.db2.gz	MNMNRHPKKIRIRA-LGMDPLHJSA-N	-1	0	395.415	2.345	40	10		GECBRM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408912264	231129493	/nfs/dbraw/zinc/12/94/93/231129493.db2.gz	DVHXYUMRPHADQR-NTEUORMPSA-N	-1	0	383.429	2.049	40	10		GECBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3cccc(C)c3)C1=O)OCO2	ZINC000409074977	533151876	/nfs/dbraw/zinc/15/18/76/533151876.db2.gz	WAHUGSVKMQFBTQ-AUWJEWJLSA-N	-1	0	380.356	2.399	40	10		GECBRM
Cc1ccc(N2[N-]C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1C	ZINC000005618123	570449226	/nfs/dbraw/zinc/44/92/26/570449226.db2.gz	FYKUTQMGKSGWBF-NSIKDUERSA-N	-1	0	381.344	2.402	40	10		GECBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(N(C)C)cc1	ZINC000408596290	231073024	/nfs/dbraw/zinc/07/30/24/231073024.db2.gz	RYDZKCZYVSEEMZ-LICLKQGHSA-N	-1	0	382.420	2.137	40	10		GECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1[N+](=O)[O-]	ZINC000408911970	231129325	/nfs/dbraw/zinc/12/93/25/231129325.db2.gz	PFDDUYRYQQGJBP-NTUHNPAUSA-N	-1	0	385.307	2.409	40	10		GECBRM
O=C([O-])CCCNC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S	ZINC000005374869	531518469	/nfs/dbraw/zinc/51/84/69/531518469.db2.gz	LAIUJLIWVHKDDH-ACCUITESSA-N	-1	0	378.475	2.259	40	10		GECBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccccc3F)C1=O)OCO2	ZINC000409069749	533152592	/nfs/dbraw/zinc/15/25/92/533152592.db2.gz	WDPQZXGKOYRYKH-WDZFZDKYSA-N	-1	0	384.319	2.229	40	10		GECBRM
O=C([O-])CCNC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S	ZINC000012032599	221145419	/nfs/dbraw/zinc/14/54/19/221145419.db2.gz	GAYPQPYZQBFDNW-CUJDEGIUSA-N	-1	0	390.486	2.425	40	10		GECBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC)C2=O)cc1	ZINC000408802909	534185210	/nfs/dbraw/zinc/18/52/10/534185210.db2.gz	JBPSIILLVJKIDC-RVDMUPIBSA-N	-1	0	380.356	2.148	40	10		GECBRM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1	ZINC000408528061	534185460	/nfs/dbraw/zinc/18/54/60/534185460.db2.gz	FAUQFRHAOQWBJE-SDNWHVSQSA-N	-1	0	395.371	2.061	40	10		GECBRM
O=C(COc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O)Nc1ccccc1Cl	ZINC000409265739	534637599	/nfs/dbraw/zinc/63/75/99/534637599.db2.gz	OJEFNSXTNQTIDZ-UHFFFAOYSA-N	-1	0	399.790	2.107	40	10		GECBRM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)cc1O	ZINC000000910366	531499983	/nfs/dbraw/zinc/49/99/83/531499983.db2.gz	DFMYIYQSNNHFFR-NTUHNPAUSA-N	-1	0	375.178	2.322	40	10		GECBRM
COc1cc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)c(OC)cc1Cl	ZINC000408974487	533453577	/nfs/dbraw/zinc/45/35/77/533453577.db2.gz	AMULWPIKQOKTIS-UHFFFAOYSA-N	-1	0	376.752	2.367	40	10		GECBRM
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c1O	ZINC000005879699	570460042	/nfs/dbraw/zinc/46/00/42/570460042.db2.gz	GYJXCSBHGVYUKK-MLPAPPSSSA-N	-1	0	389.751	2.424	40	10		GECBRM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408777744	570684297	/nfs/dbraw/zinc/68/42/97/570684297.db2.gz	HQBDAJDGNOTPFS-GZTJUZNOSA-N	-1	0	394.383	2.213	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000409092846	231157973	/nfs/dbraw/zinc/15/79/73/231157973.db2.gz	ZSNBQCYXQHLAKF-NBVRZTHBSA-N	-1	0	377.400	2.190	40	10		GECBRM
Cn1cc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c2ccccc21	ZINC000005371519	531518843	/nfs/dbraw/zinc/51/88/43/531518843.db2.gz	ZUERTZLRBOZNCN-JYRVWZFOSA-N	-1	0	382.488	2.267	40	10		GECBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc2c1OCO2	ZINC000408960782	533472546	/nfs/dbraw/zinc/47/25/46/533472546.db2.gz	IXKOJPLPIMRUGB-AWNIVKPZSA-N	-1	0	384.319	2.229	40	10		GECBRM
COc1ccc(N2C(=O)/C(=C\c3cccc(OC(C)=O)c3)C(=O)[N-]C2=S)cc1	ZINC000408764939	533995131	/nfs/dbraw/zinc/99/51/31/533995131.db2.gz	UIVFOZWUBUWMIV-BOPFTXTBSA-N	-1	0	396.424	2.452	40	10		GECBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1cccc(N2CCCC2)c1	ZINC000408547005	534785100	/nfs/dbraw/zinc/78/51/00/534785100.db2.gz	ANULLARMWDBCPJ-ATVHPVEESA-N	-1	0	380.404	2.454	40	10		GECBRM
CC(/C=C1/SC(=S)N(C=C2C(=O)[N-]C(=O)NC2=O)C1=O)=C/c1ccccc1	ZINC000005502706	570443392	/nfs/dbraw/zinc/44/33/92/570443392.db2.gz	OSEJWEDHCMQAEQ-DOLWDEDMSA-N	-1	0	399.453	2.084	40	10		GECBRM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3cccc(OC(C)=O)c3)C2=O)cc1	ZINC000005673026	570451071	/nfs/dbraw/zinc/45/10/71/570451071.db2.gz	RWXALNWNUKYNJJ-PDGQHHTCSA-N	-1	0	394.383	2.250	40	10		GECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1	ZINC000408803172	231115218	/nfs/dbraw/zinc/11/52/18/231115218.db2.gz	LZQMSANJMHKSLL-OVCLIPMQSA-N	-1	0	397.343	2.278	40	10		GECBRM
O=C(COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O)Nc1ccccc1	ZINC000409046083	231150329	/nfs/dbraw/zinc/15/03/29/231150329.db2.gz	IPENRHTVLLMKFG-UHFFFAOYSA-N	-1	0	399.790	2.107	40	10		GECBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c(O)c2)C1=O	ZINC000409235870	231185879	/nfs/dbraw/zinc/18/58/79/231185879.db2.gz	CWUXWRRZZIFCEQ-JLHYYAGUSA-N	-1	0	382.372	2.466	40	10		GECBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(OC)cc2OC)C1=O	ZINC000409071130	529546701	/nfs/dbraw/zinc/54/67/01/529546701.db2.gz	DUCONMREKRNKQU-GXDHUFHOSA-N	-1	0	385.445	2.357	40	10		GECBRM
CCC[C@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374832	531519053	/nfs/dbraw/zinc/51/90/53/531519053.db2.gz	PFXIIGIUEHKVLN-VWLVURMCSA-N	-1	0	378.475	2.257	40	10		GECBRM
COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1OC	ZINC000409394057	533924736	/nfs/dbraw/zinc/92/47/36/533924736.db2.gz	VALSLZWAEIFGPN-KPKJPENVSA-N	-1	0	387.779	2.419	40	10		GECBRM
CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)c1	ZINC000408996162	528247197	/nfs/dbraw/zinc/24/71/97/528247197.db2.gz	OKMVSNMJMNAQSU-UHFFFAOYSA-N	-1	0	381.388	2.020	40	10		GECBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC(=O)c1ccccc1	ZINC000408900295	528256256	/nfs/dbraw/zinc/25/62/56/528256256.db2.gz	UWUBXJIUNPVIDX-UHFFFAOYSA-N	-1	0	380.356	2.054	40	10		GECBRM
C[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374973	570436382	/nfs/dbraw/zinc/43/63/82/570436382.db2.gz	GYSQGZQMCCYOHL-MBUANKHZSA-N	-1	0	390.486	2.423	40	10		GECBRM
COCCCNC(=O)NC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O	ZINC000006735249	570491309	/nfs/dbraw/zinc/49/13/09/570491309.db2.gz	MLAQBDSMYLBFEX-QINSGFPZSA-N	-1	0	396.403	2.483	40	10		GECBRM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H](C(=O)[O-])C(C)C)C2=O)cc1	ZINC000005374937	570569210	/nfs/dbraw/zinc/56/92/10/570569210.db2.gz	GPJVITVYTKDPNI-XETPBLJFSA-N	-1	0	392.502	2.422	40	10		GECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3ccc([N+](=O)[O-])cc3)C2=O)cc1C	ZINC000408527959	231050223	/nfs/dbraw/zinc/05/02/23/231050223.db2.gz	GWKHMFNXUDTFPF-MHWRWJLKSA-N	-1	0	395.375	2.295	40	10		GECBRM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408914910	231130177	/nfs/dbraw/zinc/13/01/77/231130177.db2.gz	RMGHSKKSXZZWRV-OVCLIPMQSA-N	-1	0	397.456	2.357	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	ZINC000408942232	231134198	/nfs/dbraw/zinc/13/41/98/231134198.db2.gz	YHLCIEDRKHAUPL-NTEUORMPSA-N	-1	0	382.288	2.169	40	10		GECBRM
CN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2[O-])C(=O)NC1=S	ZINC000408912371	530039669	/nfs/dbraw/zinc/03/96/69/530039669.db2.gz	QNRISUWCKARNFI-CLTKARDFSA-N	-1	0	375.631	2.065	40	10		GECBRM
CCOC(=O)c1c2c(sc1NC(=O)C[C@H]1SC(=O)[N-]C1=O)CCCC2	ZINC000026770220	531620031	/nfs/dbraw/zinc/62/00/31/531620031.db2.gz	JPARSFMECHTNPL-SNVBAGLBSA-N	-1	0	382.463	2.484	40	10		GECBRM
O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	ZINC000059514590	534785113	/nfs/dbraw/zinc/78/51/13/534785113.db2.gz	TYNZDOKLBOAGEZ-UHFFFAOYSA-N	-1	0	398.287	2.045	40	10		GECBRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N(CC)CC)cc2)s1	ZINC000225881145	570630043	/nfs/dbraw/zinc/63/00/43/570630043.db2.gz	LDSZSFSKFDHWRJ-UHFFFAOYSA-N	-1	0	397.526	2.211	40	10		GECBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(O)c(Br)c1	ZINC000409393998	231200715	/nfs/dbraw/zinc/20/07/15/231200715.db2.gz	UDDZEMYCQOGZEI-YRNVUSSQSA-N	-1	0	388.177	2.216	40	10		GECBRM
CCOC(=O)c1c2c(sc1NC(=O)C[C@@H]1SC(=O)[N-]C1=O)CCCC2	ZINC000026770217	531619741	/nfs/dbraw/zinc/61/97/41/531619741.db2.gz	JPARSFMECHTNPL-JTQLQIEISA-N	-1	0	382.463	2.484	40	10		GECBRM
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c1C	ZINC000409002653	533133470	/nfs/dbraw/zinc/13/34/70/533133470.db2.gz	VYDDFYNZHLKHMX-ZSOIEALJSA-N	-1	0	398.375	2.103	40	10		GECBRM
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000005374946	220863621	/nfs/dbraw/zinc/86/36/21/220863621.db2.gz	OCMIEARXWKSHRM-GJSJWPQCSA-N	-1	0	378.475	2.176	40	10		GECBRM
CC(C)(C)C1(C)OC(=O)C(=Cc2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)C(=O)O1	ZINC000016605321	221366742	/nfs/dbraw/zinc/36/67/42/221366742.db2.gz	KUCLECWORKIYKQ-UHFFFAOYSA-N	-1	0	380.309	2.454	40	10		GECBRM
CCc1nnc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)s1	ZINC000013564313	136201147	/nfs/dbraw/zinc/20/11/47/136201147.db2.gz	RDPGNFWHLLQSMO-YFHOEESVSA-N	-1	0	377.813	2.333	40	10		GECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(C)=O)cc3)C2=O)cc1	ZINC000408536967	533996895	/nfs/dbraw/zinc/99/68/95/533996895.db2.gz	BSBMNJQHYIUGRW-BOPFTXTBSA-N	-1	0	379.372	2.477	40	10		GECBRM
CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)NC1=S	ZINC000409391249	528943070	/nfs/dbraw/zinc/94/30/70/528943070.db2.gz	IIBDAWUIZWZAFO-MHWRWJLKSA-N	-1	0	397.456	2.439	40	10		GECBRM
NC1=NC(=O)C(=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(N)=N1	ZINC000104065688	570297486	/nfs/dbraw/zinc/29/74/86/570297486.db2.gz	PMILDJZWASFJHV-VXPUYCOJSA-N	-1	0	392.426	2.019	40	10		GECBRM
CC(=O)[C@@]1(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)CCOC1=O	ZINC000104123356	570298075	/nfs/dbraw/zinc/29/80/75/570298075.db2.gz	WZGSRWZGMUIMAK-UFVMTTLYSA-N	-1	0	388.405	2.241	40	10		GECBRM