smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000408815464	231118801	/nfs/dbraw/zinc/11/88/01/231118801.db2.gz	WWTVXYRVULNQHB-FOWTUZBSSA-N	-1	0	394.383	2.538	40	10		GFCBRM
O=C([N-]N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S)c1cccs1	ZINC000409339030	231191738	/nfs/dbraw/zinc/19/17/38/231191738.db2.gz	DLHXUJPHUQCFHG-QXMHVHEDSA-N	-1	0	387.467	2.617	40	10		GFCBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408962776	529547121	/nfs/dbraw/zinc/54/71/21/529547121.db2.gz	UWELSTBQTBTKMX-GXDHUFHOSA-N	-1	0	388.221	2.937	40	10		GFCBRM
CC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374950	204129362	/nfs/dbraw/zinc/12/93/62/204129362.db2.gz	JOEOPDPFWPAPBW-PCRWRXJSSA-N	-1	0	392.502	2.566	40	10		GFCBRM
COc1cc(N2CCCCC2)ccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000409232464	532954397	/nfs/dbraw/zinc/95/43/97/532954397.db2.gz	IDMFMYRTXGFWMV-OQLLNIDSSA-N	-1	0	392.502	2.971	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)ccc1OC(C)C	ZINC000409393822	533473339	/nfs/dbraw/zinc/47/33/39/533473339.db2.gz	SNHVCFSFCLWQOQ-XNTDXEJSSA-N	-1	0	381.388	2.544	40	10		GFCBRM
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409081984	533474335	/nfs/dbraw/zinc/47/43/35/533474335.db2.gz	QTHLSIBDBDSYOO-QVASGMJFSA-N	-1	0	396.446	2.689	40	10		GFCBRM
CCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OC	ZINC000408865893	528368468	/nfs/dbraw/zinc/36/84/68/528368468.db2.gz	FEHKJQCEWVSMAI-PTNGSMBKSA-N	-1	0	382.441	2.925	40	10		GFCBRM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1	ZINC000058872921	570648958	/nfs/dbraw/zinc/64/89/58/570648958.db2.gz	VFUYGWDUHNBMFW-UHFFFAOYSA-N	-1	0	379.372	2.602	40	10		GFCBRM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)c1	ZINC000016215315	570918174	/nfs/dbraw/zinc/91/81/74/570918174.db2.gz	PMJKBRXAQFHMEL-CNFVKKRWSA-N	-1	0	378.384	2.926	40	10		GFCBRM
CC[C@H](C)[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000005374725	204129924	/nfs/dbraw/zinc/12/99/24/204129924.db2.gz	VCIROWMPADDOSY-NVMIICNKSA-N	-1	0	392.502	2.747	40	10		GFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000006216066	204171739	/nfs/dbraw/zinc/17/17/39/204171739.db2.gz	RKRBGNPPERXRFS-DHDCSXOGSA-N	-1	0	381.344	2.578	40	10		GFCBRM
CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cccc1OC	ZINC000409394156	529186701	/nfs/dbraw/zinc/18/67/01/529186701.db2.gz	WPKTYYCJMKJGGT-HKJJFUAXSA-N	-1	0	395.415	2.934	40	10		GFCBRM
C[C@@H](C(=O)[O-])n1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21	ZINC000033387109	570645285	/nfs/dbraw/zinc/64/52/85/570645285.db2.gz	GZLUXQKKPAEGDS-MFVBVHDHSA-N	-1	0	375.384	2.748	40	10		GFCBRM
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCC(=O)[O-])C2=O)cc1	ZINC000005374945	204128994	/nfs/dbraw/zinc/12/89/94/204128994.db2.gz	POHAQWKGWGZESL-SDNWHVSQSA-N	-1	0	392.502	2.567	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1O	ZINC000408913225	533472682	/nfs/dbraw/zinc/47/26/82/533472682.db2.gz	UFBLVSASSUXKHN-LFYBBSHMSA-N	-1	0	390.754	2.860	40	10		GFCBRM
CCOc1cccc(N2C(=O)/C(=C\c3cccc(OC)c3O)C(=O)[N-]C2=S)c1	ZINC000408741943	528660199	/nfs/dbraw/zinc/66/01/99/528660199.db2.gz	SXUPJDRZASDEMR-GDNBJRDFSA-N	-1	0	398.440	2.631	40	10		GFCBRM
COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1	ZINC000408774279	570682674	/nfs/dbraw/zinc/68/26/74/570682674.db2.gz	YVEXSYKTUFIECL-GZTJUZNOSA-N	-1	0	380.400	2.987	40	10		GFCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccc(Cl)cc2)c1	ZINC000408802075	533433777	/nfs/dbraw/zinc/43/37/77/533433777.db2.gz	CQHXUMYSVOHBQI-UHFFFAOYSA-N	-1	0	386.791	2.677	40	10		GFCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(OC)c1	ZINC000409393664	528293610	/nfs/dbraw/zinc/29/36/10/528293610.db2.gz	RXSVKSVFNKDTFJ-SFQUDFHCSA-N	-1	0	394.431	2.603	40	10		GFCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408803370	528634855	/nfs/dbraw/zinc/63/48/55/528634855.db2.gz	OCEOXIVCBATOIO-GZTJUZNOSA-N	-1	0	396.399	2.856	40	10		GFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1O	ZINC000059105130	570649829	/nfs/dbraw/zinc/64/98/29/570649829.db2.gz	ZNIIJFBFUNPUAD-WUXMJOGZSA-N	-1	0	382.328	2.636	40	10		GFCBRM
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000001098606	570714641	/nfs/dbraw/zinc/71/46/41/570714641.db2.gz	WNXYOWUQTCABEN-UHFFFAOYSA-N	-1	0	395.415	2.535	40	10		GFCBRM
Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000103795047	231014721	/nfs/dbraw/zinc/01/47/21/231014721.db2.gz	LQKDDMMJANJRQR-MKMNVTDBSA-N	-1	0	375.837	2.791	40	10		GFCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNC(C)(C)C)C2=O)ccc1Br	ZINC000408528148	231049889	/nfs/dbraw/zinc/04/98/89/231049889.db2.gz	FIJYJZMKNMJEKE-DHZHZOJOSA-N	-1	0	380.242	2.612	40	10		GFCBRM
CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1Br	ZINC000409132268	529774967	/nfs/dbraw/zinc/77/49/67/529774967.db2.gz	PDZSXGVHBZGCFA-IZZDOVSWSA-N	-1	0	385.239	2.636	40	10		GFCBRM
CN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)N(C)C1=O	ZINC000408998958	530039930	/nfs/dbraw/zinc/03/99/30/530039930.db2.gz	JPPBIJMBHFQEDF-UHFFFAOYSA-N	-1	0	388.763	2.732	40	10		GFCBRM
O=C1[N-]C(=O)C(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)N1	ZINC000409003955	534785036	/nfs/dbraw/zinc/78/50/36/534785036.db2.gz	WAMJKISWQAXUGH-UHFFFAOYSA-N	-1	0	393.218	2.943	40	10		GFCBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c([N+](=O)[O-])c1	ZINC000408528589	231051735	/nfs/dbraw/zinc/05/17/35/231051735.db2.gz	HXIKYUSDZVQOJV-JLHYYAGUSA-N	-1	0	380.360	2.790	40	10		GFCBRM
COCCN1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)SC1=S	ZINC000409135728	231170225	/nfs/dbraw/zinc/17/02/25/231170225.db2.gz	ZTQRPALEMDHXDF-ZSOIEALJSA-N	-1	0	376.459	2.574	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1	ZINC000409392464	231200517	/nfs/dbraw/zinc/20/05/17/231200517.db2.gz	MTAPBGCCVVJPCA-DTQAZKPQSA-N	-1	0	380.404	2.721	40	10		GFCBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C1=O)OCO2	ZINC000409075125	533153050	/nfs/dbraw/zinc/15/30/50/533153050.db2.gz	UUSSLUNVRUGBDH-AUWJEWJLSA-N	-1	0	396.424	2.564	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OC(C)C	ZINC000409371162	533472506	/nfs/dbraw/zinc/47/25/06/533472506.db2.gz	DRFYANVTHUWHHP-OQLLNIDSSA-N	-1	0	384.388	2.737	40	10		GFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)c1	ZINC000408739352	528658859	/nfs/dbraw/zinc/65/88/59/528658859.db2.gz	BETCARGPOFFYLI-LDADJPATSA-N	-1	0	395.484	2.983	40	10		GFCBRM
CC(=O)n1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21	ZINC000000830908	570486032	/nfs/dbraw/zinc/48/60/32/570486032.db2.gz	PNHSFVCMOPMIFJ-WQRHYEAKSA-N	-1	0	387.395	2.963	40	10		GFCBRM
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)NC1=S	ZINC000006517613	570746591	/nfs/dbraw/zinc/74/65/91/570746591.db2.gz	PJURVWPNINQRTB-MHWRWJLKSA-N	-1	0	398.444	2.649	40	10		GFCBRM
CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C1=O)OCO2	ZINC000408967554	528338138	/nfs/dbraw/zinc/33/81/38/528338138.db2.gz	VSRQMTBXAQBOSZ-VGOFMYFVSA-N	-1	0	398.346	2.620	40	10		GFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CC)C2=O)c(OCC)c1	ZINC000408935150	570686730	/nfs/dbraw/zinc/68/67/30/570686730.db2.gz	MRTBTVCTXBDRHB-FOWTUZBSSA-N	-1	0	397.431	2.972	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O	ZINC000000903959	570711279	/nfs/dbraw/zinc/71/12/79/570711279.db2.gz	PJHOTFVVLSMCNG-NTUHNPAUSA-N	-1	0	378.306	2.881	40	10		GFCBRM
O=C([O-])COc1ccccc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O	ZINC000409077207	231155460	/nfs/dbraw/zinc/15/54/60/231155460.db2.gz	DFYOEBMWFUEHCJ-QENILXLESA-N	-1	0	379.459	2.530	40	10		GFCBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)o1	ZINC000409246831	529774894	/nfs/dbraw/zinc/77/48/94/529774894.db2.gz	FBGAIWLSGURAMD-PKNBQFBNSA-N	-1	0	375.837	2.830	40	10		GFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3C)C(=O)[N-]C2=S)cc1	ZINC000409016063	533994663	/nfs/dbraw/zinc/99/46/63/533994663.db2.gz	UHRVEKYDOZWERD-GZTJUZNOSA-N	-1	0	382.441	2.844	40	10		GFCBRM
CCC(=O)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000408532472	528445375	/nfs/dbraw/zinc/44/53/75/528445375.db2.gz	IEXPNZINLAXYEU-QINSGFPZSA-N	-1	0	378.384	2.977	40	10		GFCBRM
CCC(=O)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000408536994	528445963	/nfs/dbraw/zinc/44/59/63/528445963.db2.gz	UHAVSCRWPBHKBE-VBKFSLOCSA-N	-1	0	378.384	2.977	40	10		GFCBRM
O=C([O-])COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	ZINC000409078410	231155909	/nfs/dbraw/zinc/15/59/09/231155909.db2.gz	CNLVSDHSADHRFS-HRYODUOUSA-N	-1	0	379.459	2.530	40	10		GFCBRM
CN1C(=O)/C(=C/c2ccc(C(=O)NCCCCCC(=O)[O-])cc2)SC1=S	ZINC000005374708	206609097	/nfs/dbraw/zinc/60/90/97/206609097.db2.gz	IOHDIIGLYGXLNW-KAMYIIQDSA-N	-1	0	392.502	2.892	40	10		GFCBRM
O=C([O-])c1cc(O)ccc1NC(=O)C[C@H]1SC(=O)N(c2ccccc2)C1=O	ZINC000016922829	207080718	/nfs/dbraw/zinc/08/07/18/207080718.db2.gz	SBANNHVKLSVUHL-CQSZACIVSA-N	-1	0	386.385	2.688	40	10		GFCBRM
COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1	ZINC000409255810	534223967	/nfs/dbraw/zinc/22/39/67/534223967.db2.gz	ZSMCGBCKCLLLNM-RVDMUPIBSA-N	-1	0	382.441	2.844	40	10		GFCBRM
CCC(=O)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000408537995	528445565	/nfs/dbraw/zinc/44/55/65/528445565.db2.gz	YGPVXOYTRCSETP-VBKFSLOCSA-N	-1	0	378.384	2.977	40	10		GFCBRM
O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000058865913	570648749	/nfs/dbraw/zinc/64/87/49/570648749.db2.gz	ZFIIVSGZKDBVKU-UHFFFAOYSA-N	-1	0	398.165	2.817	40	10		GFCBRM
Cc1ccc(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000408527574	231050139	/nfs/dbraw/zinc/05/01/39/231050139.db2.gz	DQWGRRIHIIBKPL-GZTJUZNOSA-N	-1	0	392.415	2.900	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1	ZINC000408814723	231117554	/nfs/dbraw/zinc/11/75/54/231117554.db2.gz	SAGVSMBGEKTNIO-LICLKQGHSA-N	-1	0	380.400	2.987	40	10		GFCBRM
CCC[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374918	206609527	/nfs/dbraw/zinc/60/95/27/206609527.db2.gz	IPAFMEGUOZIXOW-FYQHACEVSA-N	-1	0	392.502	2.566	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OC(C)C	ZINC000408800011	533473013	/nfs/dbraw/zinc/47/30/13/533473013.db2.gz	MRRXWQNCAVXRAY-MHWRWJLKSA-N	-1	0	396.399	2.854	40	10		GFCBRM
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409081980	533474526	/nfs/dbraw/zinc/47/45/26/533474526.db2.gz	QTHLSIBDBDSYOO-BNDQCTAISA-N	-1	0	396.446	2.689	40	10		GFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1	ZINC000006405175	136196889	/nfs/dbraw/zinc/19/68/89/136196889.db2.gz	OZPPTEYGHIKAKC-RGEXLXHISA-N	-1	0	391.427	2.962	40	10		GFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1	ZINC000408868638	534185347	/nfs/dbraw/zinc/18/53/47/534185347.db2.gz	PGJTVMWNZIXHAO-XNTDXEJSSA-N	-1	0	384.775	2.793	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1	ZINC000408797052	528369153	/nfs/dbraw/zinc/36/91/53/528369153.db2.gz	FOGCGLJPFWMXKD-SFQUDFHCSA-N	-1	0	394.383	2.538	40	10		GFCBRM
O=C([O-])[C@H](CO)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S	ZINC000005374204	551097583	/nfs/dbraw/zinc/09/75/83/551097583.db2.gz	FAVXXQQKKIFHPZ-SGRPLGENSA-N	-1	0	378.258	2.640	40	10		GFCBRM
COc1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408948950	231133911	/nfs/dbraw/zinc/13/39/11/231133911.db2.gz	HMUXYUYRQLNUEQ-PCSFBJKQSA-N	-1	0	392.367	2.647	40	10		GFCBRM
CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000408914549	530039720	/nfs/dbraw/zinc/03/97/20/530039720.db2.gz	QOYZSQZPFGDRFQ-XFFZJAGNSA-N	-1	0	390.804	2.555	40	10		GFCBRM
COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c1C	ZINC000096834147	209014780	/nfs/dbraw/zinc/01/47/80/209014780.db2.gz	OPJOYIXFIBQOGD-GDNBJRDFSA-N	-1	0	381.388	2.813	40	10		GFCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2cc(C)cc(C)c2)c1	ZINC000408893285	533433454	/nfs/dbraw/zinc/43/34/54/533433454.db2.gz	DONSFZRBAHUWOT-UHFFFAOYSA-N	-1	0	380.400	2.640	40	10		GFCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccccc2Cl)c1	ZINC000408887188	533433686	/nfs/dbraw/zinc/43/36/86/533433686.db2.gz	OWVCUXFCMDZWNU-UHFFFAOYSA-N	-1	0	386.791	2.677	40	10		GFCBRM
CNc1c(S(=O)(=O)[O-])cc(Br)c2c1C(=O)c1ccccc1C2=O	ZINC000146812877	551397521	/nfs/dbraw/zinc/39/75/21/551397521.db2.gz	ZJBPQFBITJNNSH-UHFFFAOYSA-N	-1	0	396.218	2.513	40	10		GFCBRM
CCCC[C@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374849	570436278	/nfs/dbraw/zinc/43/62/78/570436278.db2.gz	DHYBZQKHEFZJMT-ODUNQGDFSA-N	-1	0	392.502	2.647	40	10		GFCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccccc1O	ZINC000408550128	231057112	/nfs/dbraw/zinc/05/71/12/231057112.db2.gz	DWSAITKYUQWZFT-NTMALXAHSA-N	-1	0	391.811	2.928	40	10		GFCBRM
O=C([O-])COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	ZINC000409078411	231156495	/nfs/dbraw/zinc/15/64/95/231156495.db2.gz	CNLVSDHSADHRFS-IAOKNECISA-N	-1	0	379.459	2.530	40	10		GFCBRM
Cc1cc([N-]S(=O)(=O)c2ccc(/N=N\c3ccc(N)nc3N)cc2)nc(C)n1	ZINC000104091048	208430874	/nfs/dbraw/zinc/43/08/74/208430874.db2.gz	OFOOAZCHCVNSOV-VHXPQNKSSA-N	-1	0	398.452	2.869	40	10		GFCBRM
CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408956479	534180912	/nfs/dbraw/zinc/18/09/12/534180912.db2.gz	XHGQVWHXCVCFOX-RIYZIHGNSA-N	-1	0	382.397	2.804	40	10		GFCBRM
CC[C@@H](C)[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374841	570436352	/nfs/dbraw/zinc/43/63/52/570436352.db2.gz	KRPZMDVTPZRHFM-PEZBLYKWSA-N	-1	0	392.502	2.503	40	10		GFCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccncc3)C2=O)ccc1Br	ZINC000408765770	231112900	/nfs/dbraw/zinc/11/29/00/231112900.db2.gz	QEDWPCGTOIPPFO-UKTHLTGXSA-N	-1	0	386.205	2.819	40	10		GFCBRM
O=C([O-])COc1ccccc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O	ZINC000409077215	231155081	/nfs/dbraw/zinc/15/50/81/231155081.db2.gz	DFYOEBMWFUEHCJ-UGMNDJHYSA-N	-1	0	379.459	2.530	40	10		GFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3OC)C2=O)cc1	ZINC000408983010	529662149	/nfs/dbraw/zinc/66/21/49/529662149.db2.gz	JPWHWBKHJUXWMC-VBKFSLOCSA-N	-1	0	380.400	2.933	40	10		GFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1	ZINC000001225745	136196131	/nfs/dbraw/zinc/19/61/31/136196131.db2.gz	FGVITPHVHAVZED-SFQUDFHCSA-N	-1	0	394.383	2.538	40	10		GFCBRM
O=C([O-])[C@@H]1C[NH2+][C@H](c2cc(Br)cc(Br)c2[O-])S1	ZINC000408980083	534525942	/nfs/dbraw/zinc/52/59/42/534525942.db2.gz	UNRSHSKAEAKKSO-CBAPKCEASA-N	-1	0	383.061	2.705	40	10		GFCBRM
CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OC	ZINC000408867095	528367991	/nfs/dbraw/zinc/36/79/91/528367991.db2.gz	ISOGUHRDPVLITB-RAXLEYEMSA-N	-1	0	384.363	2.899	40	10		GFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1	ZINC000408740426	528482493	/nfs/dbraw/zinc/48/24/93/528482493.db2.gz	KLOAJTQUYLQJEA-GZTJUZNOSA-N	-1	0	396.399	2.769	40	10		GFCBRM
COc1c(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cccc1[N+](=O)[O-]	ZINC000408898379	231126042	/nfs/dbraw/zinc/12/60/42/231126042.db2.gz	LWFRIWOXSIKGNK-XNTDXEJSSA-N	-1	0	395.371	2.887	40	10		GFCBRM
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000002772269	570950741	/nfs/dbraw/zinc/95/07/41/570950741.db2.gz	ZLTHESMHGNSUOR-OAACRXHESA-N	-1	0	375.446	2.875	40	10		GFCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3OC)C2=O)c1C	ZINC000409073149	231154780	/nfs/dbraw/zinc/15/47/80/231154780.db2.gz	PFDUTBGBSOVCDJ-MHWRWJLKSA-N	-1	0	397.431	2.808	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(OC)c1	ZINC000409241077	231186725	/nfs/dbraw/zinc/18/67/25/231186725.db2.gz	WXTSJWWJKVBWEY-XNTDXEJSSA-N	-1	0	382.441	2.844	40	10		GFCBRM
COc1ccc(N2CCN(C(=S)c3ccc(OCC(=O)[O-])cc3)CC2)cc1	ZINC000009331363	206783370	/nfs/dbraw/zinc/78/33/70/206783370.db2.gz	KWTQIVHZMOLCIP-UHFFFAOYSA-N	-1	0	386.473	2.656	40	10		GFCBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OC	ZINC000408548606	533565508	/nfs/dbraw/zinc/56/55/08/533565508.db2.gz	JQMFKCHIUBKJEB-UKTHLTGXSA-N	-1	0	384.363	2.818	40	10		GFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1cccc(Cl)c1	ZINC000408797967	533718241	/nfs/dbraw/zinc/71/82/41/533718241.db2.gz	HJQDXVWWSDVEPU-UHFFFAOYSA-N	-1	0	386.791	2.677	40	10		GFCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1O	ZINC000408910945	533943917	/nfs/dbraw/zinc/94/39/17/533943917.db2.gz	MDDUEWYWFWKDEA-AWNIVKPZSA-N	-1	0	390.754	2.860	40	10		GFCBRM
CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1OC	ZINC000409389547	529191947	/nfs/dbraw/zinc/19/19/47/529191947.db2.gz	BYVKNWFLDMQQKV-XDUBLRSXSA-N	-1	0	395.415	2.934	40	10		GFCBRM
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=S)N1	ZINC000035183132	570550373	/nfs/dbraw/zinc/55/03/73/570550373.db2.gz	FKRQVLHOSPCWJE-INIZCTEOSA-N	-1	0	384.417	2.732	40	10		GFCBRM
C#CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000107579458	655122638	/nfs/dbraw/zinc/12/26/38/655122638.db2.gz	LAEAWOIAPDDJHV-VBKFSLOCSA-N	-1	0	397.228	2.923	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2	ZINC000408901094	231127069	/nfs/dbraw/zinc/12/70/69/231127069.db2.gz	VLGLEAKRWDCDDH-NTEUORMPSA-N	-1	0	384.775	2.778	40	10		GFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1O	ZINC000016195985	207074107	/nfs/dbraw/zinc/07/41/07/207074107.db2.gz	WHRCEVCDNMVLAE-QPEQYQDCSA-N	-1	0	383.316	2.816	40	10		GFCBRM
O=C([O-])c1ccc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1O	ZINC000016922858	207079561	/nfs/dbraw/zinc/07/95/61/207079561.db2.gz	ZRSDJFDHDXOUHJ-CQSZACIVSA-N	-1	0	386.385	2.688	40	10		GFCBRM
CCN(/C=C1/C(=O)[N-]C(=O)N(c2cc(C)c(C)cc2Br)C1=O)CC	ZINC000019596850	207143058	/nfs/dbraw/zinc/14/30/58/207143058.db2.gz	SPYAJQIURBVZNE-XFXZXTDPSA-N	-1	0	394.269	2.874	40	10		GFCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1O	ZINC000408844206	533944427	/nfs/dbraw/zinc/94/44/27/533944427.db2.gz	CNLDAYBECKZFMA-NTUHNPAUSA-N	-1	0	390.754	2.860	40	10		GFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3)C2=O)cc1	ZINC000408874408	528226555	/nfs/dbraw/zinc/22/65/55/528226555.db2.gz	BCZJJYMGIRGFIQ-SFQUDFHCSA-N	-1	0	394.383	2.538	40	10		GFCBRM
O=C([O-])c1cc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)ccc1O	ZINC000016922832	210198143	/nfs/dbraw/zinc/19/81/43/210198143.db2.gz	HYDNVWXZHYOUEP-AWEZNQCLSA-N	-1	0	386.385	2.688	40	10		GFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1O	ZINC000409407159	533470048	/nfs/dbraw/zinc/47/00/48/533470048.db2.gz	LKCOTNAPVVYWBL-GHXNOFRVSA-N	-1	0	389.205	2.625	40	10		GFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1cc(C)cc(C)c1	ZINC000408894322	533717720	/nfs/dbraw/zinc/71/77/20/533717720.db2.gz	HUDBZXHYHCNFEY-UHFFFAOYSA-N	-1	0	380.400	2.640	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1OCC	ZINC000409390276	528368901	/nfs/dbraw/zinc/36/89/01/528368901.db2.gz	DUSUBNKWPONBGH-RVDMUPIBSA-N	-1	0	381.388	2.545	40	10		GFCBRM
O=C1C=C(NNc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)C=NC1=O	ZINC000104124150	570298026	/nfs/dbraw/zinc/29/80/26/570298026.db2.gz	NEDXOHQWXCBBIV-MSUUIHNZSA-N	-1	0	378.395	2.561	40	10		GFCBRM
CC(C)C[C@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374835	570436370	/nfs/dbraw/zinc/43/63/70/570436370.db2.gz	YWWLMEQOEJOLKP-GFAPJHNFSA-N	-1	0	392.502	2.503	40	10		GFCBRM
COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000408900066	231125941	/nfs/dbraw/zinc/12/59/41/231125941.db2.gz	RGMABCFMJLSVSS-XNTDXEJSSA-N	-1	0	381.344	2.578	40	10		GFCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408807766	231116822	/nfs/dbraw/zinc/11/68/22/231116822.db2.gz	HOOCMXBYVKJAJR-XNTDXEJSSA-N	-1	0	381.344	2.660	40	10		GFCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)o1	ZINC000013424461	136200976	/nfs/dbraw/zinc/20/09/76/136200976.db2.gz	RLDLIZZXZODLLL-FOWTUZBSSA-N	-1	0	383.404	2.801	40	10		GFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC	ZINC000408883749	528194138	/nfs/dbraw/zinc/19/41/38/528194138.db2.gz	VWDLCQKIAZUUHC-RAXLEYEMSA-N	-1	0	384.363	2.899	40	10		GFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3OC)C2=O)cc1	ZINC000408539830	528482912	/nfs/dbraw/zinc/48/29/12/528482912.db2.gz	ZHRLKNFZPHYDBS-NTCAYCPXSA-N	-1	0	381.388	2.673	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1	ZINC000409018417	231147536	/nfs/dbraw/zinc/14/75/36/231147536.db2.gz	MAVHNDOTXANGHA-FOWTUZBSSA-N	-1	0	391.358	2.988	40	10		GFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)cc2OC)C1=O	ZINC000409237354	231185470	/nfs/dbraw/zinc/18/54/70/231185470.db2.gz	IHLPQQHECKYNEQ-RVDMUPIBSA-N	-1	0	396.399	2.769	40	10		GFCBRM
Cc1nnc([N-]S(=O)(=O)c2ccc(/N=N\c3ccc(N)nc3N)cc2)s1	ZINC000084460277	211169079	/nfs/dbraw/zinc/16/90/79/211169079.db2.gz	VCDGNEYCVAHPRG-VXPUYCOJSA-N	-1	0	390.454	2.622	40	10		GFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)C[C@H](C)O4)C2=O)cc1	ZINC000408710772	533997422	/nfs/dbraw/zinc/99/74/22/533997422.db2.gz	JUWRKZLLBPOCIF-OOIIIRTPSA-N	-1	0	378.384	2.685	40	10		GFCBRM
CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O	ZINC000408805451	528334186	/nfs/dbraw/zinc/33/41/86/528334186.db2.gz	BBYPQKPCNDAOJK-GZTJUZNOSA-N	-1	0	396.399	2.769	40	10		GFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc4nsnc43)C2=O)c(C)c1	ZINC000408535045	231053768	/nfs/dbraw/zinc/05/37/68/231053768.db2.gz	XHZPBWLDQPPEQM-FMIVXFBMSA-N	-1	0	393.428	2.887	40	10		GFCBRM
O=C([O-])c1ccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1O	ZINC000016922854	210199209	/nfs/dbraw/zinc/19/92/09/210199209.db2.gz	ZRSDJFDHDXOUHJ-AWEZNQCLSA-N	-1	0	386.385	2.688	40	10		GFCBRM
CC(C)C[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000005374720	209590914	/nfs/dbraw/zinc/59/09/14/209590914.db2.gz	HNESPCIPPJPBRW-OZYJXZHSSA-N	-1	0	392.502	2.747	40	10		GFCBRM
COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1	ZINC000408847736	534223487	/nfs/dbraw/zinc/22/34/87/534223487.db2.gz	OKXWZRIFDPKDGM-GZTJUZNOSA-N	-1	0	380.400	2.987	40	10		GFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(Cc3ccccc3Br)cc2)C(=O)N1	ZINC000408870205	534783801	/nfs/dbraw/zinc/78/38/01/534783801.db2.gz	SEHGBMSBSFBOJL-UHFFFAOYSA-N	-1	0	385.217	2.789	40	10		GFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1cccc(C(F)(F)F)c1	ZINC000408547088	534785385	/nfs/dbraw/zinc/78/53/85/534785385.db2.gz	UCPFIROETFJWBD-JYRVWZFOSA-N	-1	0	379.294	2.873	40	10		GFCBRM
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000016216932	536659962	/nfs/dbraw/zinc/65/99/62/536659962.db2.gz	MFDCLLYSTDRXNM-GDNBJRDFSA-N	-1	0	398.440	2.544	40	10		GFCBRM
CCC[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374919	570436291	/nfs/dbraw/zinc/43/62/91/570436291.db2.gz	IPAFMEGUOZIXOW-OZYJXZHSSA-N	-1	0	392.502	2.566	40	10		GFCBRM
CCOC(=O)c1c2c(sc1NC(=O)[C@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])CCCC2	ZINC000004179644	209470837	/nfs/dbraw/zinc/47/08/37/209470837.db2.gz	QDXLTUZRKPUQNP-PKIAMQTDSA-N	-1	0	393.461	2.620	40	10		GFCBRM
COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409126890	533474869	/nfs/dbraw/zinc/47/48/69/533474869.db2.gz	GGKKJPQNIDCPOO-ZROIWOOFSA-N	-1	0	399.384	2.709	40	10		GFCBRM
O=C1[N-]C(=O)C(=Cc2ccccc2Cc2ccccc2Br)C(=O)N1	ZINC000408866980	534784172	/nfs/dbraw/zinc/78/41/72/534784172.db2.gz	JIUUTHUYOBLOQQ-UHFFFAOYSA-N	-1	0	385.217	2.789	40	10		GFCBRM
O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)C(=O)N1	ZINC000104124277	570297999	/nfs/dbraw/zinc/29/79/99/570297999.db2.gz	NROMRKZIGPCMFE-MSUUIHNZSA-N	-1	0	378.395	2.561	40	10		GFCBRM
CCn1nc(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1C	ZINC000408756717	570544667	/nfs/dbraw/zinc/54/46/67/570544667.db2.gz	JDGWFZMOUBHCKU-MHWRWJLKSA-N	-1	0	381.436	2.715	40	10		GFCBRM
CCn1nc(C)c(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1C	ZINC000408756657	570546089	/nfs/dbraw/zinc/54/60/89/570546089.db2.gz	IUKBEHLHDIEPIY-XNTDXEJSSA-N	-1	0	381.436	2.715	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c(OC(C)C)c1	ZINC000408819055	231118389	/nfs/dbraw/zinc/11/83/89/231118389.db2.gz	WMTAYUZWHGHXDN-LICLKQGHSA-N	-1	0	396.399	2.854	40	10		GFCBRM
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000006126373	209631825	/nfs/dbraw/zinc/63/18/25/209631825.db2.gz	ZLTHESMHGNSUOR-QOBDMFJFSA-N	-1	0	375.446	2.875	40	10		GFCBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccccc3F)C1=O)OCO2	ZINC000409108579	528338027	/nfs/dbraw/zinc/33/80/27/528338027.db2.gz	WZSGCVRDRWOSPP-GHXNOFRVSA-N	-1	0	398.346	2.620	40	10		GFCBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccccc3)C1=O)OCO2	ZINC000409094403	528338255	/nfs/dbraw/zinc/33/82/55/528338255.db2.gz	DZVQKBLNYMITIP-ZSOIEALJSA-N	-1	0	396.424	2.645	40	10		GFCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3O)C2=O)cc1	ZINC000408893439	528695998	/nfs/dbraw/zinc/69/59/98/528695998.db2.gz	AODPXVKVORZXLJ-BOPFTXTBSA-N	-1	0	396.399	2.856	40	10		GFCBRM
NC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21	ZINC000033910632	570647207	/nfs/dbraw/zinc/64/72/07/570647207.db2.gz	XMRVBJJYZHIGFG-MHWRWJLKSA-N	-1	0	394.431	2.761	40	10		GFCBRM
COC(=O)COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000059135659	570650275	/nfs/dbraw/zinc/65/02/75/570650275.db2.gz	ORDGFCCHTRJJQF-XNTDXEJSSA-N	-1	0	398.346	2.884	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408935336	570686716	/nfs/dbraw/zinc/68/67/16/570686716.db2.gz	CXUAFIAZUFIYBO-LFIBNONCSA-N	-1	0	381.344	2.660	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1OC	ZINC000409019264	231147924	/nfs/dbraw/zinc/14/79/24/231147924.db2.gz	ZXERGSUQKWJASZ-RIYZIHGNSA-N	-1	0	386.404	2.674	40	10		GFCBRM
Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1[N+](=O)[O-]	ZINC000408533891	231053074	/nfs/dbraw/zinc/05/30/74/231053074.db2.gz	PLSDKPRFELIVJQ-GXDHUFHOSA-N	-1	0	380.360	2.790	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cccc(Br)c1	ZINC000408872753	231123357	/nfs/dbraw/zinc/12/33/57/231123357.db2.gz	IEPFOSYXKURQLU-NTEUORMPSA-N	-1	0	387.189	2.821	40	10		GFCBRM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(OC)c1	ZINC000409205224	528293730	/nfs/dbraw/zinc/29/37/30/528293730.db2.gz	AJVMAVQNXBSCEX-ATVHPVEESA-N	-1	0	385.464	2.946	40	10		GFCBRM
CCOc1cc(OC)ccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408876713	528333758	/nfs/dbraw/zinc/33/37/58/528333758.db2.gz	QIEMZFCXPZTDHF-UVTDQMKNSA-N	-1	0	384.363	2.899	40	10		GFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000408743028	528660414	/nfs/dbraw/zinc/66/04/14/528660414.db2.gz	YRJGIPBFHYWYKR-MHWRWJLKSA-N	-1	0	397.412	2.825	40	10		GFCBRM
CN(C)c1ccc(-n2cccc2/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000408949269	529774778	/nfs/dbraw/zinc/77/47/78/529774778.db2.gz	AKIDEUIZWVAQEU-XNTDXEJSSA-N	-1	0	387.486	2.829	40	10		GFCBRM
CC[C@@H](C)[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000005374724	220863471	/nfs/dbraw/zinc/86/34/71/220863471.db2.gz	VCIROWMPADDOSY-QOTNBLPKSA-N	-1	0	392.502	2.747	40	10		GFCBRM
COc1cc(/C=C2\C(C)=NN(C(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408941458	533470702	/nfs/dbraw/zinc/47/07/02/533470702.db2.gz	WPKFKHIRBULCCB-RIYZIHGNSA-N	-1	0	381.344	2.751	40	10		GFCBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OC	ZINC000408549129	533565202	/nfs/dbraw/zinc/56/52/02/533565202.db2.gz	PLZMRVHBKSRCCH-XNTDXEJSSA-N	-1	0	382.441	2.844	40	10		GFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC)C2=O)cc1	ZINC000408805529	528226066	/nfs/dbraw/zinc/22/60/66/528226066.db2.gz	GIAXURAPDGHZHU-FOWTUZBSSA-N	-1	0	394.383	2.538	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(OCC)c1	ZINC000409394376	528369596	/nfs/dbraw/zinc/36/95/96/528369596.db2.gz	ZPUCIVFQIIUXTO-LFIBNONCSA-N	-1	0	381.388	2.545	40	10		GFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000408743065	528660182	/nfs/dbraw/zinc/66/01/82/528660182.db2.gz	ZCLZZYQSAGZNLN-MHWRWJLKSA-N	-1	0	397.412	2.825	40	10		GFCBRM
CCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374885	570874422	/nfs/dbraw/zinc/87/44/22/570874422.db2.gz	JLDQHIBYTORANV-UQRISPGASA-N	-1	0	392.502	2.647	40	10		GFCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cccnc1	ZINC000106175287	655104302	/nfs/dbraw/zinc/10/43/02/655104302.db2.gz	LUFQJCJWXYJFMS-FLIBITNWSA-N	-1	0	376.800	2.618	40	10		GFCBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)c([N+](=O)[O-])c1	ZINC000408534450	231054165	/nfs/dbraw/zinc/05/41/65/231054165.db2.gz	QWWMZUNKBPFUQD-NTCAYCPXSA-N	-1	0	394.387	2.520	40	10		GFCBRM
Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408950641	231133707	/nfs/dbraw/zinc/13/37/07/231133707.db2.gz	UBGNKQWSTOQFKX-MKMNVTDBSA-N	-1	0	375.837	2.791	40	10		GFCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C	ZINC000408950310	231134140	/nfs/dbraw/zinc/13/41/40/231134140.db2.gz	JDNUZSDVGRESSL-OVCLIPMQSA-N	-1	0	381.388	2.520	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1O	ZINC000409231649	231184343	/nfs/dbraw/zinc/18/43/43/231184343.db2.gz	DSWQANHNGWTQTB-DHZHZOJOSA-N	-1	0	388.832	2.886	40	10		GFCBRM
CC(C)[C@H](CO)N=c1nc(Nc2cc(Cl)ccc2O)cc(C(F)(F)F)[n-]1	ZINC000329007226	212091988	/nfs/dbraw/zinc/09/19/88/212091988.db2.gz	LJHNOSVRODHKJZ-NSHDSACASA-N	-1	0	390.793	2.871	40	10		GFCBRM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C1=O)OCO2	ZINC000408960906	533152919	/nfs/dbraw/zinc/15/29/19/533152919.db2.gz	JEWYHIABNWSEBP-VIZOYTHASA-N	-1	0	394.383	2.707	40	10		GFCBRM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S	ZINC000005374061	220862720	/nfs/dbraw/zinc/86/27/20/220862720.db2.gz	NWVNLAARPVLLKP-VWLVURMCSA-N	-1	0	379.459	2.928	40	10		GFCBRM
CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2cccc(Cl)c2)C1=O	ZINC000005393756	570437152	/nfs/dbraw/zinc/43/71/52/570437152.db2.gz	UWZHCTCIAHDINQ-DHDCSXOGSA-N	-1	0	386.795	2.776	40	10		GFCBRM
CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(C)C3=O)c2C)cc1	ZINC000033331268	570645361	/nfs/dbraw/zinc/64/53/61/570645361.db2.gz	QKDIBUHZNYNBQZ-YVLHZVERSA-N	-1	0	380.404	2.984	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c(OC)c1	ZINC000408817163	231118566	/nfs/dbraw/zinc/11/85/66/231118566.db2.gz	ZVGLDMXPGHAOKB-MHWRWJLKSA-N	-1	0	380.400	2.987	40	10		GFCBRM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1O	ZINC000408894851	231125983	/nfs/dbraw/zinc/12/59/83/231125983.db2.gz	JHRCVACHUFSNAA-NTUHNPAUSA-N	-1	0	387.735	2.620	40	10		GFCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1	ZINC000408967864	231138566	/nfs/dbraw/zinc/13/85/66/231138566.db2.gz	VJROMAXIZSRFGC-RMKNXTFCSA-N	-1	0	395.755	2.812	40	10		GFCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1OC	ZINC000409255030	533387171	/nfs/dbraw/zinc/38/71/71/533387171.db2.gz	XNXSUNFURYXMDE-SDNWHVSQSA-N	-1	0	382.441	2.844	40	10		GFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1cccc(F)c1	ZINC000408867226	533717387	/nfs/dbraw/zinc/71/73/87/533717387.db2.gz	KDDHRTCTKIPDSP-UHFFFAOYSA-N	-1	0	388.782	2.828	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1OC	ZINC000408913124	528369270	/nfs/dbraw/zinc/36/92/70/528369270.db2.gz	SRKAZEQHKNGVCE-OQLLNIDSSA-N	-1	0	384.363	2.899	40	10		GFCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(/N=N\c3ccc(N)nc3N)cc2)n1	ZINC000104090473	570297427	/nfs/dbraw/zinc/29/74/27/570297427.db2.gz	AJLDQNLDBSVFRY-FCQUAONHSA-N	-1	0	384.425	2.561	40	10		GFCBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3cccc(C)c3)C1=O)OCO2	ZINC000409103732	570698532	/nfs/dbraw/zinc/69/85/32/570698532.db2.gz	FHWVRFVUDSOQJA-NVNXTCNLSA-N	-1	0	394.383	2.789	40	10		GFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3OC)OCO4)C2=O)cc1	ZINC000409072189	529662401	/nfs/dbraw/zinc/66/24/01/529662401.db2.gz	JBCREMPOYXJESQ-NVNXTCNLSA-N	-1	0	394.383	2.653	40	10		GFCBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000408548955	533564574	/nfs/dbraw/zinc/56/45/74/533564574.db2.gz	OECFBIXNOSRMKK-MHWRWJLKSA-N	-1	0	380.400	2.987	40	10		GFCBRM
CCOc1cc(OC)ccc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408869193	528333778	/nfs/dbraw/zinc/33/37/78/528333778.db2.gz	PPACWCPVRYLPSH-WJDWOHSUSA-N	-1	0	382.441	2.925	40	10		GFCBRM
CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)NC1=S	ZINC000409391224	528943562	/nfs/dbraw/zinc/94/35/62/528943562.db2.gz	IBBJOVOTWZFMMY-NTEUORMPSA-N	-1	0	384.413	2.600	40	10		GFCBRM
CCn1nc(C)c(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1C	ZINC000408758415	570452936	/nfs/dbraw/zinc/45/29/36/570452936.db2.gz	ZVWHWHUXVVBDEI-ZROIWOOFSA-N	-1	0	387.827	2.752	40	10		GFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)ccc3OC)C2=O)cc1	ZINC000408984809	529662425	/nfs/dbraw/zinc/66/24/25/529662425.db2.gz	SSUBMOQQROOFIC-ATVHPVEESA-N	-1	0	380.400	2.933	40	10		GFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OC(C)C	ZINC000409400495	533470120	/nfs/dbraw/zinc/47/01/20/533470120.db2.gz	RYINMAYDYIRQPO-YBEGLDIGSA-N	-1	0	382.416	2.952	40	10		GFCBRM
O=C([O-])[C@H]1C[NH2+][C@@H](c2cc(Br)cc(Br)c2[O-])S1	ZINC000408980085	534539298	/nfs/dbraw/zinc/53/92/98/534539298.db2.gz	UNRSHSKAEAKKSO-VXNVDRBHSA-N	-1	0	383.061	2.705	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Br)c1	ZINC000006282400	551098862	/nfs/dbraw/zinc/09/88/62/551098862.db2.gz	IUOZDNVNFMBUQU-XYOKQWHBSA-N	-1	0	387.189	2.821	40	10		GFCBRM
O=C([O-])C1=Nc2nc(SCc3ccccc3)nn2[C@@H](c2ccc(O)c(O)c2)C1	ZINC000102336005	570288436	/nfs/dbraw/zinc/28/84/36/570288436.db2.gz	DQEXAZJUYQIUDB-CQSZACIVSA-N	-1	0	396.428	2.965	40	10		GFCBRM
CC(C)C[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374836	570436335	/nfs/dbraw/zinc/43/63/35/570436335.db2.gz	YWWLMEQOEJOLKP-CKXDQPNJSA-N	-1	0	392.502	2.503	40	10		GFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC	ZINC000033341649	570645037	/nfs/dbraw/zinc/64/50/37/570645037.db2.gz	XVZKDZIGVYOHKO-AUWJEWJLSA-N	-1	0	388.807	2.827	40	10		GFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)cs1	ZINC000107602537	570758554	/nfs/dbraw/zinc/75/85/54/570758554.db2.gz	QPMCOOOBISCURQ-VZUCSPMQSA-N	-1	0	381.207	2.766	40	10		GFCBRM
CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374887	570874294	/nfs/dbraw/zinc/87/42/94/570874294.db2.gz	JLDQHIBYTORANV-MBFWDRTGSA-N	-1	0	392.502	2.647	40	10		GFCBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(F)c(Cl)c1	ZINC000408591124	231071335	/nfs/dbraw/zinc/07/13/35/231071335.db2.gz	IRCVXUNZDUUTOK-GIDUJCDVSA-N	-1	0	391.786	2.864	40	10		GFCBRM
CNC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	ZINC000408527243	530039538	/nfs/dbraw/zinc/03/95/38/530039538.db2.gz	DBDJAGCLIULHIK-LDADJPATSA-N	-1	0	379.460	2.841	40	10		GFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccccc3OC)C(=O)[N-]C2=S)c(OC)c1	ZINC000409119749	533994459	/nfs/dbraw/zinc/99/44/59/533994459.db2.gz	SVIATGINYZSERN-GXDHUFHOSA-N	-1	0	398.440	2.544	40	10		GFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1O	ZINC000408916956	528195211	/nfs/dbraw/zinc/19/52/11/528195211.db2.gz	JKGXTCPEHMAHAV-ZROIWOOFSA-N	-1	0	386.404	2.761	40	10		GFCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(O)c1	ZINC000408741922	528292733	/nfs/dbraw/zinc/29/27/33/528292733.db2.gz	SQNMFZYBOHLTRN-SFQUDFHCSA-N	-1	0	379.416	2.905	40	10		GFCBRM
CN(C)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1Br	ZINC000409349721	529775138	/nfs/dbraw/zinc/77/51/38/529775138.db2.gz	VZQOMEDJHCUBDX-GQCTYLIASA-N	-1	0	381.186	2.795	40	10		GFCBRM
CC[C@H](C)[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000005374722	220863722	/nfs/dbraw/zinc/86/37/22/220863722.db2.gz	VCIROWMPADDOSY-DXLFDGJBSA-N	-1	0	392.502	2.747	40	10		GFCBRM
COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccccn1	ZINC000112123611	533321307	/nfs/dbraw/zinc/32/13/07/533321307.db2.gz	CCTWHQNZOYVLFR-PDGQHHTCSA-N	-1	0	395.375	2.642	40	10		GFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(C)=O	ZINC000408537126	533469866	/nfs/dbraw/zinc/46/98/66/533469866.db2.gz	UOUYAOZYVIODON-YBEGLDIGSA-N	-1	0	394.383	2.595	40	10		GFCBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1OC	ZINC000408549752	533564954	/nfs/dbraw/zinc/56/49/54/533564954.db2.gz	YFTNIKZMFCKIBU-OVCLIPMQSA-N	-1	0	384.363	2.818	40	10		GFCBRM
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1OC	ZINC000409389545	529383044	/nfs/dbraw/zinc/38/30/44/529383044.db2.gz	BYVKNWFLDMQQKV-KWWJGWKXSA-N	-1	0	395.415	2.934	40	10		GFCBRM
Cc1c(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c2ccccc2n1Cc1ccccc1	ZINC000408591740	231070993	/nfs/dbraw/zinc/07/09/93/231070993.db2.gz	KFBOSNUNMGDHEC-WOJGMQOQSA-N	-1	0	389.411	2.975	40	10		GFCBRM
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2C)C1=O	ZINC000409098725	231160407	/nfs/dbraw/zinc/16/04/07/231160407.db2.gz	JLSKYSLQHKXTAA-UKTHLTGXSA-N	-1	0	388.221	2.762	40	10		GFCBRM
O=C([N-]N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1cccs1	ZINC000409339406	231191891	/nfs/dbraw/zinc/19/18/91/231191891.db2.gz	VBAVCDZTLBPWKF-KPKJPENVSA-N	-1	0	378.456	2.706	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1cc(Br)cs1	ZINC000409393336	231200793	/nfs/dbraw/zinc/20/07/93/231200793.db2.gz	QIAFLUZNCPQLSH-IZZDOVSWSA-N	-1	0	378.207	2.572	40	10		GFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(C)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000408988445	533994036	/nfs/dbraw/zinc/99/40/36/533994036.db2.gz	HZGCRPSOKFGSCZ-MHWRWJLKSA-N	-1	0	382.441	2.844	40	10		GFCBRM
O=C([O-])[C@H]1C[NH2+][C@H](c2cc(Br)cc(Br)c2[O-])S1	ZINC000408980082	534539039	/nfs/dbraw/zinc/53/90/39/534539039.db2.gz	UNRSHSKAEAKKSO-APPZFPTMSA-N	-1	0	383.061	2.705	40	10		GFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OC	ZINC000408879857	528195375	/nfs/dbraw/zinc/19/53/75/528195375.db2.gz	HIYVEAJAYUIHIJ-PTNGSMBKSA-N	-1	0	382.441	2.925	40	10		GFCBRM
CCN(/C=C1\C(=O)[N-]C(=O)N(c2cc(C)c(Br)cc2C)C1=O)CC	ZINC000408536297	528904394	/nfs/dbraw/zinc/90/43/94/528904394.db2.gz	VWXZDUFHWYWYKP-FMIVXFBMSA-N	-1	0	394.269	2.874	40	10		GFCBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)Nc1cccc(Cl)c1	ZINC000058872924	570648901	/nfs/dbraw/zinc/64/89/01/570648901.db2.gz	LGIGSFBWNOCGFX-UHFFFAOYSA-N	-1	0	399.790	2.947	40	10		GFCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)c1C	ZINC000409012321	570693565	/nfs/dbraw/zinc/69/35/65/570693565.db2.gz	QMENCTHSUIIILR-GZTJUZNOSA-N	-1	0	383.473	2.965	40	10		GFCBRM
Cc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)sc2c1	ZINC000408529861	231051115	/nfs/dbraw/zinc/05/11/15/231051115.db2.gz	IEGAZCTUMGSMTI-JLHYYAGUSA-N	-1	0	392.440	2.914	40	10		GFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(Br)cc1	ZINC000408547097	534784252	/nfs/dbraw/zinc/78/42/52/534784252.db2.gz	VGHJTFYHYULSQA-JYRVWZFOSA-N	-1	0	390.193	2.617	40	10		GFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)C(=O)[N-]C2=S)c1	ZINC000408740855	528658784	/nfs/dbraw/zinc/65/87/84/528658784.db2.gz	NEUZCETUWJXUII-OQLLNIDSSA-N	-1	0	398.440	2.631	40	10		GFCBRM
CCn1c(=O)c(C2=NNC(=O)C2=Cc2cccc(OC)c2)c([O-])c2ccccc21	ZINC000103560075	570412388	/nfs/dbraw/zinc/41/23/88/570412388.db2.gz	WODNTRZYOBSZEJ-VBKFSLOCSA-N	-1	0	389.411	2.653	40	10		GFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(C)s3)C(=O)[N-]C2=S)c(OC)c1	ZINC000059595504	570657405	/nfs/dbraw/zinc/65/74/05/570657405.db2.gz	YECKWTPTIJBJJQ-UKTHLTGXSA-N	-1	0	388.470	2.905	40	10		GFCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(OC)cc2)C1=O	ZINC000408986682	231142441	/nfs/dbraw/zinc/14/24/41/231142441.db2.gz	CWXROOVEAQRWKA-FOWTUZBSSA-N	-1	0	382.441	2.925	40	10		GFCBRM
Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000409112715	231163088	/nfs/dbraw/zinc/16/30/88/231163088.db2.gz	BYMYGFPFBAMTLI-UHFFFAOYSA-N	-1	0	382.372	2.570	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc2c1OCO2	ZINC000408967710	533472711	/nfs/dbraw/zinc/47/27/11/533472711.db2.gz	WYCOQZZCXYLLFU-VIZOYTHASA-N	-1	0	394.383	2.707	40	10		GFCBRM
Cc1cc(C)nc(Sc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2[N+](=O)[O-])n1	ZINC000059219856	570651639	/nfs/dbraw/zinc/65/16/39/570651639.db2.gz	AIMDFXZTIHRLRO-UHFFFAOYSA-N	-1	0	399.388	2.743	40	10		GFCBRM
CC(C)CCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O	ZINC000059417349	570656053	/nfs/dbraw/zinc/65/60/53/570656053.db2.gz	SQVIFQKMTZXKPY-GXDHUFHOSA-N	-1	0	388.424	2.559	40	10		GFCBRM
O=C([O-])COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1	ZINC000409124103	231166916	/nfs/dbraw/zinc/16/69/16/231166916.db2.gz	KDHQHHUOIDTMET-GDNBJRDFSA-N	-1	0	382.397	2.550	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCCC2)c(F)c1	ZINC000409395859	231201301	/nfs/dbraw/zinc/20/13/01/231201301.db2.gz	SNNOBUYIOWUXIY-FOWTUZBSSA-N	-1	0	394.406	2.877	40	10		GFCBRM
CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])CCCC2	ZINC000004179642	204031594	/nfs/dbraw/zinc/03/15/94/204031594.db2.gz	QDXLTUZRKPUQNP-BVIHXZOGSA-N	-1	0	393.461	2.620	40	10		GFCBRM
CC[C@@H](C)[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000005374721	204129292	/nfs/dbraw/zinc/12/92/92/204129292.db2.gz	VCIROWMPADDOSY-PBVKZGFLSA-N	-1	0	392.502	2.747	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1	ZINC000006505941	204180786	/nfs/dbraw/zinc/18/07/86/204180786.db2.gz	ZMMBSBFDWPFILB-ZROIWOOFSA-N	-1	0	386.751	2.827	40	10		GFCBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3ccccc3C)C1=O)OCO2	ZINC000409065021	533151987	/nfs/dbraw/zinc/15/19/87/533151987.db2.gz	KGKOKFJBXRSKEM-QPEQYQDCSA-N	-1	0	396.424	2.564	40	10		GFCBRM
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)C(=O)[N-]C2=S)cc1	ZINC000408767074	533994341	/nfs/dbraw/zinc/99/43/41/533994341.db2.gz	VLEOJSUOEVVSGC-YBEGLDIGSA-N	-1	0	398.440	2.544	40	10		GFCBRM
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)S1	ZINC000409085503	526697220	/nfs/dbraw/zinc/69/72/20/526697220.db2.gz	SHIMCIDOOWFQNV-ONNFQVAWSA-N	-1	0	389.216	2.563	40	10		GFCBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3cccc(F)c3)C1=O)OCO2	ZINC000409107580	528337764	/nfs/dbraw/zinc/33/77/64/528337764.db2.gz	RZQJSLCQKRXVHP-NSIKDUERSA-N	-1	0	398.346	2.620	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1OCC	ZINC000409372941	528369959	/nfs/dbraw/zinc/36/99/59/528369959.db2.gz	OCDBHLMWUOOPKC-XNTDXEJSSA-N	-1	0	384.388	2.739	40	10		GFCBRM
COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1O	ZINC000032131469	570509975	/nfs/dbraw/zinc/50/99/75/570509975.db2.gz	OYCGQTWXNBSRKM-JYRVWZFOSA-N	-1	0	389.205	2.625	40	10		GFCBRM
COc1ccc(N2C(=O)/C(=C/c3sccc3C)C(=O)[N-]C2=S)c(OC)c1	ZINC000059595978	570657495	/nfs/dbraw/zinc/65/74/95/570657495.db2.gz	WTDDBCIJDWHHNJ-FMIVXFBMSA-N	-1	0	388.470	2.905	40	10		GFCBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc2ncccc2c1	ZINC000408594066	231072187	/nfs/dbraw/zinc/07/21/87/231072187.db2.gz	RVZFKUYBOVXZDK-VCHYOVAHSA-N	-1	0	390.399	2.620	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1c(F)cccc1Cl	ZINC000408957025	231134960	/nfs/dbraw/zinc/13/49/60/231134960.db2.gz	ZTFNJDSVGSKWQA-YRNVUSSQSA-N	-1	0	388.738	2.874	40	10		GFCBRM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375021	204129228	/nfs/dbraw/zinc/12/92/28/204129228.db2.gz	NDFVFVFUZNHAQC-OEMOTLHWSA-N	-1	0	381.500	2.907	40	10		GFCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1	ZINC000408917501	533239847	/nfs/dbraw/zinc/23/98/47/533239847.db2.gz	VUEZXNXCIKKTNH-DHDCSXOGSA-N	-1	0	386.404	2.674	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1O	ZINC000408853957	533473251	/nfs/dbraw/zinc/47/32/51/533473251.db2.gz	UGAUBDFBQRWMRH-OVCLIPMQSA-N	-1	0	396.399	2.693	40	10		GFCBRM
O=C([O-])[C@@H]1C[NH2+][C@@H](c2cc(Br)cc(Br)c2[O-])S1	ZINC000408980084	534525774	/nfs/dbraw/zinc/52/57/74/534525774.db2.gz	UNRSHSKAEAKKSO-IONNQARKSA-N	-1	0	383.061	2.705	40	10		GFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccccc1C(F)(F)F	ZINC000408547117	534785563	/nfs/dbraw/zinc/78/55/63/534785563.db2.gz	ZTIALNRUTKGMIY-FLIBITNWSA-N	-1	0	379.294	2.873	40	10		GFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OCC)C2=O)ccc1O	ZINC000409231237	528195785	/nfs/dbraw/zinc/19/57/85/528195785.db2.gz	IZYMCDKBNVZAFZ-SDNWHVSQSA-N	-1	0	396.399	2.856	40	10		GFCBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1c(C)cc(C)cc1C	ZINC000408591278	231070975	/nfs/dbraw/zinc/07/09/75/231070975.db2.gz	JKAKVNHQAVPZEG-RQZCQDPDSA-N	-1	0	381.432	2.997	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(OC)c1	ZINC000408804581	231116833	/nfs/dbraw/zinc/11/68/33/231116833.db2.gz	AXQRMMPBCIWODG-MHWRWJLKSA-N	-1	0	380.400	2.987	40	10		GFCBRM
CC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-]	ZINC000005374949	204129366	/nfs/dbraw/zinc/12/93/66/204129366.db2.gz	JOEOPDPFWPAPBW-LFGHMXSPSA-N	-1	0	392.502	2.566	40	10		GFCBRM
COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1	ZINC000409389149	533215182	/nfs/dbraw/zinc/21/51/82/533215182.db2.gz	AMOMEWSEJWRGEL-QGOAFFKASA-N	-1	0	388.383	2.547	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OCC	ZINC000005006588	136194396	/nfs/dbraw/zinc/19/43/96/136194396.db2.gz	VMYUDEPIIWCEMC-LFIBNONCSA-N	-1	0	396.399	2.856	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000408801636	528369801	/nfs/dbraw/zinc/36/98/01/528369801.db2.gz	VBTVJWDXUMFGGT-LFIBNONCSA-N	-1	0	396.399	2.769	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(C)=O	ZINC000408771761	570682288	/nfs/dbraw/zinc/68/22/88/570682288.db2.gz	CNLDOUQSGAZHSN-MHWRWJLKSA-N	-1	0	394.383	2.595	40	10		GFCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(O)cc1	ZINC000408550406	231057504	/nfs/dbraw/zinc/05/75/04/231057504.db2.gz	GZWOTGUREMGQHY-WQLSENKSSA-N	-1	0	391.811	2.928	40	10		GFCBRM
O=C([O-])CCCCCNC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000005374827	204129204	/nfs/dbraw/zinc/12/92/04/204129204.db2.gz	DUTGOPUETOBJQT-KAMYIIQDSA-N	-1	0	392.502	2.649	40	10		GFCBRM
CCCC[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000005374715	204129600	/nfs/dbraw/zinc/12/96/00/204129600.db2.gz	DVNWCORLZJORIF-PCRWRXJSSA-N	-1	0	392.502	2.891	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC	ZINC000000831638	206211399	/nfs/dbraw/zinc/21/13/99/206211399.db2.gz	XVZKDZIGVYOHKO-VGOFMYFVSA-N	-1	0	388.807	2.827	40	10		GFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000409373785	534784409	/nfs/dbraw/zinc/78/44/09/534784409.db2.gz	VOJLRNXTBFGIPO-MDWZMJQESA-N	-1	0	375.178	2.704	40	10		GFCBRM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OC(F)F	ZINC000211655204	553052509	/nfs/dbraw/zinc/05/25/09/553052509.db2.gz	VMYAQFACNODLLX-BJMVGYQFSA-N	-1	0	375.374	2.582	40	10		GFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(OC)c1OC	ZINC000000876916	570504185	/nfs/dbraw/zinc/50/41/85/570504185.db2.gz	WMYMOQIULIROGO-ZROIWOOFSA-N	-1	0	388.420	2.507	40	10		GFCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408935300	570686758	/nfs/dbraw/zinc/68/67/58/570686758.db2.gz	COXBRBNAYXQNGB-RVDMUPIBSA-N	-1	0	381.344	2.660	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1C	ZINC000408964880	231136947	/nfs/dbraw/zinc/13/69/47/231136947.db2.gz	IFVKPCYJWKMBEU-LFIBNONCSA-N	-1	0	380.400	2.987	40	10		GFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OCC)c3)C2=O)cc1	ZINC000005465618	204135170	/nfs/dbraw/zinc/13/51/70/204135170.db2.gz	PDWBPWDLNJUSIG-WJDWOHSUSA-N	-1	0	396.399	2.856	40	10		GFCBRM
CCOC(=O)c1c2c(sc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]3CC[C@@H]1O3)CCCC2	ZINC000013140582	204482343	/nfs/dbraw/zinc/48/23/43/204482343.db2.gz	QDXLTUZRKPUQNP-DRABBMOASA-N	-1	0	393.461	2.620	40	10		GFCBRM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000100132102	136188937	/nfs/dbraw/zinc/18/89/37/136188937.db2.gz	FEAQWJCSXAEEHC-RVDMUPIBSA-N	-1	0	381.388	2.591	40	10		GFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(C)c(C)c1	ZINC000408807163	533718556	/nfs/dbraw/zinc/71/85/56/533718556.db2.gz	KMHXVLZYCYFTPN-UHFFFAOYSA-N	-1	0	380.400	2.640	40	10		GFCBRM
Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNC(C)C)C2=O)ccc1Br	ZINC000408526186	231049922	/nfs/dbraw/zinc/04/99/22/231049922.db2.gz	AFMGSVIBIJPYNJ-YRNVUSSQSA-N	-1	0	380.242	2.531	40	10		GFCBRM
COc1cccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)C(=O)[N-]C2=S)c1	ZINC000004602359	204057034	/nfs/dbraw/zinc/05/70/34/204057034.db2.gz	ZGVUEIAVJDBQGM-GDNBJRDFSA-N	-1	0	398.440	2.544	40	10		GFCBRM
CC(C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374904	204129099	/nfs/dbraw/zinc/12/90/99/204129099.db2.gz	BLSNCGRBYLIXNQ-NRMKIYEFSA-N	-1	0	392.502	2.503	40	10		GFCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccccc1Br	ZINC000408999679	534144372	/nfs/dbraw/zinc/14/43/72/534144372.db2.gz	RYENMRPJRFOWGF-UHFFFAOYSA-N	-1	0	388.221	2.606	40	10		GFCBRM
CCCCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1	ZINC000113835272	528564267	/nfs/dbraw/zinc/56/42/67/528564267.db2.gz	IZMRUVMRZADSHA-UHFFFAOYSA-N	-1	0	382.372	2.653	40	10		GFCBRM
CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O	ZINC000059417348	570656151	/nfs/dbraw/zinc/65/61/51/570656151.db2.gz	LCLJQPBWEPHPJX-SDNWHVSQSA-N	-1	0	388.424	2.703	40	10		GFCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(I)cc1	ZINC000107699604	570758666	/nfs/dbraw/zinc/75/86/66/570758666.db2.gz	AEHKCQPRCAGDBI-UVTDQMKNSA-N	-1	0	390.180	2.753	40	10		GFCBRM
O=C([O-])c1cc(O)ccc1NC(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O	ZINC000016922825	570935149	/nfs/dbraw/zinc/93/51/49/570935149.db2.gz	SBANNHVKLSVUHL-AWEZNQCLSA-N	-1	0	386.385	2.688	40	10		GFCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNCc1ccccc1	ZINC000408551704	231058411	/nfs/dbraw/zinc/05/84/11/231058411.db2.gz	PDVZYSONAJDOTP-RAXLEYEMSA-N	-1	0	389.839	2.901	40	10		GFCBRM
COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000408896014	231125624	/nfs/dbraw/zinc/12/56/24/231125624.db2.gz	GIZRMDCQWDVTJP-MHWRWJLKSA-N	-1	0	395.371	2.887	40	10		GFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccc(Br)c1	ZINC000409371696	534784580	/nfs/dbraw/zinc/78/45/80/534784580.db2.gz	GDMPCLGMFONZQR-MDWZMJQESA-N	-1	0	375.178	2.704	40	10		GFCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1	ZINC000408899806	528696637	/nfs/dbraw/zinc/69/66/37/528696637.db2.gz	QLBIWBSRNSXKDA-WJDWOHSUSA-N	-1	0	396.399	2.856	40	10		GFCBRM
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccccc3C)C1=O)OCO2	ZINC000209584171	570288734	/nfs/dbraw/zinc/28/87/34/570288734.db2.gz	LUYNIKIIEUDQIR-ZSOIEALJSA-N	-1	0	394.383	2.789	40	10		GFCBRM
COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000102736671	570291761	/nfs/dbraw/zinc/29/17/61/570291761.db2.gz	XQPAOCCZXVBZDB-WQLSENKSSA-N	-1	0	390.442	2.630	40	10		GFCBRM
Nc1ccc(/N=N\c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(N)n1	ZINC000104090453	570297497	/nfs/dbraw/zinc/29/74/97/570297497.db2.gz	ILTOUHMRBSWYNZ-VXPUYCOJSA-N	-1	0	375.439	2.919	40	10		GFCBRM
Cc1cc([N-]S(=O)(=O)c2ccc(/N=N/c3ccc(N)nc3N)cc2)nc(C)n1	ZINC000004809248	570406740	/nfs/dbraw/zinc/40/67/40/570406740.db2.gz	OFOOAZCHCVNSOV-WCWDXBQESA-N	-1	0	398.452	2.869	40	10		GFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccnc1	ZINC000409392101	231199947	/nfs/dbraw/zinc/19/99/47/231199947.db2.gz	KZCLYHIBIAFKIG-WOJGMQOQSA-N	-1	0	387.399	2.551	40	10		GFCBRM
CC[C@H](C)[C@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374839	206608697	/nfs/dbraw/zinc/60/86/97/206608697.db2.gz	KRPZMDVTPZRHFM-WTZCXMFDSA-N	-1	0	392.502	2.503	40	10		GFCBRM
CC[C@H](C)[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374843	206608892	/nfs/dbraw/zinc/60/88/92/206608892.db2.gz	KRPZMDVTPZRHFM-VKABWTOWSA-N	-1	0	392.502	2.503	40	10		GFCBRM
CN1c2ccccc2C(=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)C1=O	ZINC000020227082	207183861	/nfs/dbraw/zinc/18/38/61/207183861.db2.gz	QDBQXJXKIWBENU-PFONDFGASA-N	-1	0	379.397	2.814	40	10		GFCBRM
O=C1OC2(CCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000058865907	570648786	/nfs/dbraw/zinc/64/87/86/570648786.db2.gz	OTRUTEWGAHUDEV-UHFFFAOYSA-N	-1	0	398.165	2.817	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c(OC)c1	ZINC000408818919	231118738	/nfs/dbraw/zinc/11/87/38/231118738.db2.gz	YVCRBSVTILRLHT-MHWRWJLKSA-N	-1	0	380.400	2.987	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Br)s1	ZINC000409393342	231200948	/nfs/dbraw/zinc/20/09/48/231200948.db2.gz	QJONQQUTEKZQTF-JXMROGBWSA-N	-1	0	378.207	2.572	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc(OC)c1O	ZINC000409236699	533472397	/nfs/dbraw/zinc/47/23/97/533472397.db2.gz	GJRVONLKKJVOTM-MDWZMJQESA-N	-1	0	398.440	2.549	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000059106198	534781746	/nfs/dbraw/zinc/78/17/46/534781746.db2.gz	NEUCHWNJUURDKV-XGICHPGQSA-N	-1	0	399.290	2.969	40	10		GFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2c3nsnc3ccc2C)C1=O	ZINC000408535577	534821788	/nfs/dbraw/zinc/82/17/88/534821788.db2.gz	YYXXIUSOJHJFAB-FMIVXFBMSA-N	-1	0	393.428	2.887	40	10		GFCBRM
CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OC(F)F	ZINC000211657460	553052308	/nfs/dbraw/zinc/05/23/08/553052308.db2.gz	DKKGPYCPAZXDQX-IZZDOVSWSA-N	-1	0	389.401	2.973	40	10		GFCBRM
N#CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000034890422	570222419	/nfs/dbraw/zinc/22/24/19/570222419.db2.gz	GWBWXZCJDHYNIQ-PTNGSMBKSA-N	-1	0	398.216	2.813	40	10		GFCBRM
Cc1n[nH]c(C)c1NC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O	ZINC000408757375	570546020	/nfs/dbraw/zinc/54/60/20/570546020.db2.gz	MRXXZGDWJKGRNK-XNTDXEJSSA-N	-1	0	375.388	2.759	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OC	ZINC000409374078	533473190	/nfs/dbraw/zinc/47/31/90/533473190.db2.gz	YLKMEULOGWXXNL-WUXMJOGZSA-N	-1	0	390.779	2.612	40	10		GFCBRM
C=C(c1ccc(Cl)cc1)C1SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000006561895	551099101	/nfs/dbraw/zinc/09/91/01/551099101.db2.gz	AGEFEAHBQBBTHY-FLIBITNWSA-N	-1	0	377.896	2.819	40	10		GFCBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000033741753	551133885	/nfs/dbraw/zinc/13/38/85/551133885.db2.gz	IKBFHGULALNAGP-PTNGSMBKSA-N	-1	0	397.228	2.923	40	10		GFCBRM
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=S)N1	ZINC000035183133	570550041	/nfs/dbraw/zinc/55/00/41/570550041.db2.gz	FKRQVLHOSPCWJE-MRXNPFEDSA-N	-1	0	384.417	2.732	40	10		GFCBRM
CN1c2ccccc2/C(=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)C1=O	ZINC000001766007	570585175	/nfs/dbraw/zinc/58/51/75/570585175.db2.gz	OXPGJYNPCBJVCP-CCEZHUSRSA-N	-1	0	390.486	2.879	40	10		GFCBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=S	ZINC000005552113	570632667	/nfs/dbraw/zinc/63/26/67/570632667.db2.gz	FSZSUPNITPSARG-LPJIALBHSA-N	-1	0	394.449	2.849	40	10		GFCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2cccc(Cl)c2)c1	ZINC000408802359	533434416	/nfs/dbraw/zinc/43/44/16/533434416.db2.gz	ZMHMFJAZNNFFQI-UHFFFAOYSA-N	-1	0	386.791	2.677	40	10		GFCBRM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1	ZINC000408526582	527004734	/nfs/dbraw/zinc/00/47/34/527004734.db2.gz	BOXLJUQQPJBKQM-GZTJUZNOSA-N	-1	0	392.415	2.841	40	10		GFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1	ZINC000408984703	529662659	/nfs/dbraw/zinc/66/26/59/529662659.db2.gz	JNQJXIYDLOKTDF-BOPFTXTBSA-N	-1	0	380.400	2.933	40	10		GFCBRM
CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C1=O)OCO2	ZINC000408961186	528338051	/nfs/dbraw/zinc/33/80/51/528338051.db2.gz	LEHLQZOWRPPYIB-OVCLIPMQSA-N	-1	0	394.383	2.789	40	10		GFCBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=S	ZINC000005552111	570632516	/nfs/dbraw/zinc/63/25/16/570632516.db2.gz	FSZSUPNITPSARG-IBPBOOLHSA-N	-1	0	394.449	2.849	40	10		GFCBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c2nsnc2ccc1C	ZINC000006088937	570667148	/nfs/dbraw/zinc/66/71/48/570667148.db2.gz	WKZRWEHGPZSCFQ-UHFFFAOYSA-N	-1	0	380.407	2.717	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1	ZINC000408935039	570686877	/nfs/dbraw/zinc/68/68/77/570686877.db2.gz	CBSGWNZJMFHKPL-KPKJPENVSA-N	-1	0	387.735	2.620	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-]	ZINC000408853728	231121310	/nfs/dbraw/zinc/12/13/10/231121310.db2.gz	XATBTQGIEHAPON-OQLLNIDSSA-N	-1	0	395.371	2.887	40	10		GFCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCCO4)C2=O)c1	ZINC000408894437	231126144	/nfs/dbraw/zinc/12/61/44/231126144.db2.gz	CMHDZCIQFYKYMG-MHWRWJLKSA-N	-1	0	378.384	2.741	40	10		GFCBRM
O=C([O-])c1cc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)ccc1O	ZINC000016922842	207079982	/nfs/dbraw/zinc/07/99/82/207079982.db2.gz	HYDNVWXZHYOUEP-CQSZACIVSA-N	-1	0	386.385	2.688	40	10		GFCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccc(C)c(C)c2)c1	ZINC000408812012	533433524	/nfs/dbraw/zinc/43/35/24/533433524.db2.gz	MKZQYVDDZDLZLW-UHFFFAOYSA-N	-1	0	380.400	2.640	40	10		GFCBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1OC	ZINC000408548856	533565683	/nfs/dbraw/zinc/56/56/83/533565683.db2.gz	MGEOUJLXJGXQRZ-MHWRWJLKSA-N	-1	0	380.400	2.987	40	10		GFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(OC)ccc2OC)C1=O	ZINC000409249676	231187961	/nfs/dbraw/zinc/18/79/61/231187961.db2.gz	VCTIEPGXVZVQEM-NTCAYCPXSA-N	-1	0	396.399	2.769	40	10		GFCBRM
CC(=O)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408537107	527120018	/nfs/dbraw/zinc/12/00/18/527120018.db2.gz	UMTFQFDISGFEIO-GDNBJRDFSA-N	-1	0	384.775	2.932	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000408797933	528369926	/nfs/dbraw/zinc/36/99/26/528369926.db2.gz	DBAHZZHCIFHGGI-MHWRWJLKSA-N	-1	0	381.344	2.660	40	10		GFCBRM
CCC(=O)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O	ZINC000408530770	528445896	/nfs/dbraw/zinc/44/58/96/528445896.db2.gz	FTEDBOSOMXDEMX-VBKFSLOCSA-N	-1	0	394.383	2.677	40	10		GFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(C(C)=O)c3)C2=O)cc1	ZINC000408534552	528482278	/nfs/dbraw/zinc/48/22/78/528482278.db2.gz	VZNNISXWTSDWEE-LDADJPATSA-N	-1	0	393.399	2.867	40	10		GFCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c1OC(C)C	ZINC000409392402	533387092	/nfs/dbraw/zinc/38/70/92/533387092.db2.gz	MCKZZWYZYRVMRK-RVDMUPIBSA-N	-1	0	381.388	2.544	40	10		GFCBRM
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408989020	534143066	/nfs/dbraw/zinc/14/30/66/534143066.db2.gz	GOBIAXOSOPRNMK-UHFFFAOYSA-N	-1	0	395.415	2.535	40	10		GFCBRM
Cn1c(=O)c(C2=NNC(=O)C2=Cc2c[nH]c3ccccc23)c([O-])c2ccccc21	ZINC000100260998	527022919	/nfs/dbraw/zinc/02/29/19/527022919.db2.gz	GHSMBHJDXVJKMU-GDNBJRDFSA-N	-1	0	384.395	2.643	40	10		GFCBRM
CCC(=O)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O	ZINC000408538251	528445196	/nfs/dbraw/zinc/44/51/96/528445196.db2.gz	ZOANNOJNAODUCM-OWBHPGMISA-N	-1	0	394.383	2.677	40	10		GFCBRM
O=C([O-])[C@@H](CO)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S	ZINC000005374205	551097388	/nfs/dbraw/zinc/09/73/88/551097388.db2.gz	FAVXXQQKKIFHPZ-BABIGQSTSA-N	-1	0	378.258	2.640	40	10		GFCBRM
CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cccc1OC	ZINC000409394157	529378559	/nfs/dbraw/zinc/37/85/59/529378559.db2.gz	WPKTYYCJMKJGGT-MLDYKZIASA-N	-1	0	395.415	2.934	40	10		GFCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cccc(O)c1	ZINC000408549990	231057180	/nfs/dbraw/zinc/05/71/80/231057180.db2.gz	CKWLSQKLMIGNOE-WQLSENKSSA-N	-1	0	391.811	2.928	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc2ccccc2[nH]1	ZINC000408942608	231134420	/nfs/dbraw/zinc/13/44/20/231134420.db2.gz	ZQOPNOIBQLGBJJ-XNTDXEJSSA-N	-1	0	376.328	2.743	40	10		GFCBRM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000408536677	534184757	/nfs/dbraw/zinc/18/47/57/534184757.db2.gz	AHUHBXXKMLDZEK-JLHYYAGUSA-N	-1	0	399.790	2.705	40	10		GFCBRM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375023	551097600	/nfs/dbraw/zinc/09/76/00/551097600.db2.gz	NDFVFVFUZNHAQC-YFBAIUBQSA-N	-1	0	381.500	2.907	40	10		GFCBRM
Cc1nnc([N-]S(=O)(=O)c2ccc(/N=N/c3ccc(N)nc3N)cc2)s1	ZINC000004775634	570404618	/nfs/dbraw/zinc/40/46/18/570404618.db2.gz	VCDGNEYCVAHPRG-FMQUCBEESA-N	-1	0	390.454	2.622	40	10		GFCBRM
Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNC(C)(C)C)C2=O)cc1C	ZINC000019596848	210275701	/nfs/dbraw/zinc/27/57/01/210275701.db2.gz	SQOANMILJWYRSU-FLIBITNWSA-N	-1	0	394.269	2.921	40	10		GFCBRM
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)[N-]C2=S)cc1	ZINC000408781317	528482353	/nfs/dbraw/zinc/48/23/53/528482353.db2.gz	BZJOGQXGCQMOPN-GZTJUZNOSA-N	-1	0	383.473	2.872	40	10		GFCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC	ZINC000408799920	528641595	/nfs/dbraw/zinc/64/15/95/528641595.db2.gz	JJDRXBWWEDQQAM-LFIBNONCSA-N	-1	0	396.399	2.856	40	10		GFCBRM
CC(C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374903	570436260	/nfs/dbraw/zinc/43/62/60/570436260.db2.gz	BLSNCGRBYLIXNQ-VOMSXAGXSA-N	-1	0	392.502	2.503	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1OC	ZINC000408810033	231117468	/nfs/dbraw/zinc/11/74/68/231117468.db2.gz	OUOLPRSMPBHGEB-XNTDXEJSSA-N	-1	0	380.400	2.987	40	10		GFCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cccnc3)C2=O)ccc1Br	ZINC000408763308	231112503	/nfs/dbraw/zinc/11/25/03/231112503.db2.gz	OXGWFDMTWFVQJS-MDWZMJQESA-N	-1	0	386.205	2.819	40	10		GFCBRM
Cn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Br)c2)C1=O	ZINC000409095918	231158845	/nfs/dbraw/zinc/15/88/45/231158845.db2.gz	IZWLCFQTAQCLQU-UKTHLTGXSA-N	-1	0	390.262	2.619	40	10		GFCBRM
Cn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000409247972	231187445	/nfs/dbraw/zinc/18/74/45/231187445.db2.gz	JBWUSIANKNZRIS-UKTHLTGXSA-N	-1	0	379.363	2.875	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1F	ZINC000409396511	231201227	/nfs/dbraw/zinc/20/12/27/231201227.db2.gz	YTCSXOYJKQUTRG-SFQUDFHCSA-N	-1	0	394.406	2.877	40	10		GFCBRM
COC(=O)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000016194143	210187606	/nfs/dbraw/zinc/18/76/06/210187606.db2.gz	GBPZQBCVRRVIAP-GDNBJRDFSA-N	-1	0	395.327	2.888	40	10		GFCBRM
CC(=O)n1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21	ZINC000015134426	210155110	/nfs/dbraw/zinc/15/51/10/210155110.db2.gz	PNHSFVCMOPMIFJ-WOJGMQOQSA-N	-1	0	387.395	2.963	40	10		GFCBRM
O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000005551973	209602252	/nfs/dbraw/zinc/60/22/52/209602252.db2.gz	ULNLHDVMPLQFAM-UVTDQMKNSA-N	-1	0	379.484	2.929	40	10		GFCBRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C1=O)OCO2	ZINC000409105157	533152826	/nfs/dbraw/zinc/15/28/26/533152826.db2.gz	GWUATECFSDKABD-AUWJEWJLSA-N	-1	0	394.383	2.707	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000408740271	231109758	/nfs/dbraw/zinc/10/97/58/231109758.db2.gz	FGEOOTDNERFLHW-XNTDXEJSSA-N	-1	0	382.441	2.844	40	10		GFCBRM
O=C([O-])COc1ccccc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O	ZINC000409133110	231169082	/nfs/dbraw/zinc/16/90/82/231169082.db2.gz	ZOCBXOCXZYFCNG-GDNBJRDFSA-N	-1	0	382.397	2.550	40	10		GFCBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccn2Cc2ccccc2[N+](=O)[O-])[nH]1	ZINC000409310205	231189347	/nfs/dbraw/zinc/18/93/47/231189347.db2.gz	SBHKNQDFAFTIGW-FPLPWBNLSA-N	-1	0	383.320	2.724	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1O	ZINC000409020232	533472530	/nfs/dbraw/zinc/47/25/30/533472530.db2.gz	MXBUXYWXCZBZAW-OQLLNIDSSA-N	-1	0	382.441	2.849	40	10		GFCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(Br)c1	ZINC000408994646	534143829	/nfs/dbraw/zinc/14/38/29/534143829.db2.gz	IIDGOCKAIXWYBI-UHFFFAOYSA-N	-1	0	388.221	2.606	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000409020849	528369380	/nfs/dbraw/zinc/36/93/80/528369380.db2.gz	USGNARKBJPVANP-SFQUDFHCSA-N	-1	0	382.441	2.925	40	10		GFCBRM
CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)NC1=S	ZINC000409391534	528943662	/nfs/dbraw/zinc/94/36/62/528943662.db2.gz	JMVOVDSZQAKSJZ-NTEUORMPSA-N	-1	0	384.413	2.600	40	10		GFCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1OC	ZINC000002261598	537077741	/nfs/dbraw/zinc/07/77/41/537077741.db2.gz	NBALWMUGKOWPQR-ZRDIBKRKSA-N	-1	0	386.404	2.674	40	10		GFCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(/N=N/c3ccc(N)nc3N)cc2)n1	ZINC000004809190	570406744	/nfs/dbraw/zinc/40/67/44/570406744.db2.gz	AJLDQNLDBSVFRY-GHVJWSGMSA-N	-1	0	384.425	2.561	40	10		GFCBRM
CC(C)C[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000005374718	570569146	/nfs/dbraw/zinc/56/91/46/570569146.db2.gz	HNESPCIPPJPBRW-FYQHACEVSA-N	-1	0	392.502	2.747	40	10		GFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)cc1	ZINC000409065544	231154533	/nfs/dbraw/zinc/15/45/33/231154533.db2.gz	JGLRHHRGCXPABZ-XNTDXEJSSA-N	-1	0	398.440	2.544	40	10		GFCBRM
CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]3CC[C@@H]1O3)CCCC2	ZINC000003634369	209449873	/nfs/dbraw/zinc/44/98/73/209449873.db2.gz	QDXLTUZRKPUQNP-JLUCKKNBSA-N	-1	0	393.461	2.620	40	10		GFCBRM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2	ZINC000408531317	534784189	/nfs/dbraw/zinc/78/41/89/534784189.db2.gz	KHMSEWLFVBZPJY-XMHGGMMESA-N	-1	0	393.487	2.750	40	10		GFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNC(=O)Nc2cccc(Cl)c2)C1=O	ZINC000408536018	534821634	/nfs/dbraw/zinc/82/16/34/534821634.db2.gz	VFZHKNJSWKDNLI-GXDHUFHOSA-N	-1	0	398.806	2.937	40	10		GFCBRM
Nc1ccc(/N=N/c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(N)n1	ZINC000004809186	551095117	/nfs/dbraw/zinc/09/51/17/551095117.db2.gz	ILTOUHMRBSWYNZ-FMQUCBEESA-N	-1	0	375.439	2.919	40	10		GFCBRM
CN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)[O-])SC1=S	ZINC000222429765	553055749	/nfs/dbraw/zinc/05/57/49/553055749.db2.gz	FSTXBKRWMXJBKO-YHYXMXQVSA-N	-1	0	388.264	2.744	40	10		GFCBRM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1	ZINC000005338075	570434608	/nfs/dbraw/zinc/43/46/08/570434608.db2.gz	UDKNAUVHYQTCLE-AQTBWJFISA-N	-1	0	383.835	2.638	40	10		GFCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1N(C)C	ZINC000032117160	570509174	/nfs/dbraw/zinc/50/91/74/570509174.db2.gz	ALSWFJSADGBFOD-OVCLIPMQSA-N	-1	0	396.403	2.538	40	10		GFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1C[C@H]1CCCO1	ZINC000409198582	231178713	/nfs/dbraw/zinc/17/87/13/231178713.db2.gz	CFDPDKUXNJHOSB-VHWUNXFSSA-N	-1	0	397.431	2.539	40	10		GFCBRM
O=C1C=C(NNc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)C=NC1=O	ZINC000016951601	210198383	/nfs/dbraw/zinc/19/83/83/210198383.db2.gz	NEDXOHQWXCBBIV-WUKNDPDISA-N	-1	0	378.395	2.561	40	10		GFCBRM
CN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3C(=O)[O-])o2)C(=O)N(C)C1=O	ZINC000005913611	209621090	/nfs/dbraw/zinc/62/10/90/209621090.db2.gz	ZNWVCMUMQBWYGT-UHFFFAOYSA-N	-1	0	388.763	2.732	40	10		GFCBRM
CC(NCCC(=O)[O-])=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	ZINC000096609552	211345920	/nfs/dbraw/zinc/34/59/20/211345920.db2.gz	HOBMVRUTLDDWPM-WQLSENKSSA-N	-1	0	398.366	2.900	40	10		GFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1	ZINC000408710773	533996062	/nfs/dbraw/zinc/99/60/62/533996062.db2.gz	JUWRKZLLBPOCIF-PBSOMRJOSA-N	-1	0	378.384	2.685	40	10		GFCBRM
CC[C@@H](C)[C@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374838	570436362	/nfs/dbraw/zinc/43/63/62/570436362.db2.gz	KRPZMDVTPZRHFM-AATVDUDFSA-N	-1	0	392.502	2.503	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccccc1[N+](=O)[O-]	ZINC000408536054	231053997	/nfs/dbraw/zinc/05/39/97/231053997.db2.gz	VMEANTAFBPLRAJ-MDZDMXLPSA-N	-1	0	386.751	2.827	40	10		GFCBRM
Cc1ccc(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1	ZINC000408536797	231054372	/nfs/dbraw/zinc/05/43/72/231054372.db2.gz	YENZTFSSWVLHLO-LFIBNONCSA-N	-1	0	392.415	2.900	40	10		GFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCCO4)C2=O)cc1C	ZINC000408855670	231122975	/nfs/dbraw/zinc/12/29/75/231122975.db2.gz	FZXHPACLIPGEGD-MHWRWJLKSA-N	-1	0	378.384	2.741	40	10		GFCBRM
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c1C	ZINC000408994112	533830757	/nfs/dbraw/zinc/83/07/57/533830757.db2.gz	FWOKAHHACWQBKR-ZSOIEALJSA-N	-1	0	387.823	2.848	40	10		GFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)ccc1O	ZINC000408761076	570470196	/nfs/dbraw/zinc/47/01/96/570470196.db2.gz	HIZKALMVNSTBHW-GDNBJRDFSA-N	-1	0	398.440	2.631	40	10		GFCBRM
Cc1cccc(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c1	ZINC000408533847	231052096	/nfs/dbraw/zinc/05/20/96/231052096.db2.gz	PHSZPPMCINKAIY-LFIBNONCSA-N	-1	0	392.415	2.900	40	10		GFCBRM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1	ZINC000018996984	221394045	/nfs/dbraw/zinc/39/40/45/221394045.db2.gz	KCPYLFFAUKMJQE-BOPFTXTBSA-N	-1	0	375.384	2.806	40	10		GFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1ccccc1F	ZINC000408866519	533718051	/nfs/dbraw/zinc/71/80/51/533718051.db2.gz	GDZGFNNMZPPVIK-UHFFFAOYSA-N	-1	0	388.782	2.828	40	10		GFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1cccc(Br)c1	ZINC000408547033	534784536	/nfs/dbraw/zinc/78/45/36/534784536.db2.gz	GNPBBIXRQVPFDR-JYRVWZFOSA-N	-1	0	390.193	2.617	40	10		GFCBRM
O=C([O-])C1=Nc2nc(SCc3ccccc3)nn2[C@H](c2ccc(O)c(O)c2)C1	ZINC000102336001	570288443	/nfs/dbraw/zinc/28/84/43/570288443.db2.gz	DQEXAZJUYQIUDB-AWEZNQCLSA-N	-1	0	396.428	2.965	40	10		GFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)[N-]C2=S)c1	ZINC000408774758	570682742	/nfs/dbraw/zinc/68/27/42/570682742.db2.gz	CVWCZNOJAJJFCM-LICLKQGHSA-N	-1	0	383.473	2.872	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OC	ZINC000004992977	570730430	/nfs/dbraw/zinc/73/04/30/570730430.db2.gz	OKDHWEUDZZAISJ-KPKJPENVSA-N	-1	0	378.812	2.762	40	10		GFCBRM
C[C@H](NS(=O)(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(=O)[O-]	ZINC000255988502	222744783	/nfs/dbraw/zinc/74/47/83/222744783.db2.gz	MSJGMRRFQPODJE-LBPRGKRZSA-N	-1	0	376.438	2.919	40	10		GFCBRM
COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O	ZINC000409130863	532953750	/nfs/dbraw/zinc/95/37/50/532953750.db2.gz	NWEOIHXAMCXKQZ-OQLLNIDSSA-N	-1	0	376.434	2.806	40	10		GFCBRM
COc1cc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000009188880	221073808	/nfs/dbraw/zinc/07/38/08/221073808.db2.gz	QFNMPURGNKJJEN-YBEGLDIGSA-N	-1	0	390.461	2.861	40	10		GFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccccn1	ZINC000409390755	231200230	/nfs/dbraw/zinc/20/02/30/231200230.db2.gz	GVIYTICSTKATCV-SFQUDFHCSA-N	-1	0	387.399	2.551	40	10		GFCBRM
COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1OCCO	ZINC000005657133	570995699	/nfs/dbraw/zinc/99/56/99/570995699.db2.gz	VUUKZZAUUHKDOQ-GZTJUZNOSA-N	-1	0	396.399	2.571	40	10		GFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc(NC(C)=O)c2)C1=O	ZINC000408536702	529586547	/nfs/dbraw/zinc/58/65/47/529586547.db2.gz	XKRXLLNHCAGDRO-SFQUDFHCSA-N	-1	0	392.415	2.786	40	10		GFCBRM
COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cccnc1	ZINC000112123623	533321249	/nfs/dbraw/zinc/32/12/49/533321249.db2.gz	GNYJFFDWQPKMOE-PDGQHHTCSA-N	-1	0	395.375	2.642	40	10		GFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC	ZINC000408795490	528195706	/nfs/dbraw/zinc/19/57/06/528195706.db2.gz	CFXWRZNOBGJFGS-LFIBNONCSA-N	-1	0	396.399	2.769	40	10		GFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(O)cc3C)C2=O)cc1	ZINC000408532130	528482678	/nfs/dbraw/zinc/48/26/78/528482678.db2.gz	PTMBCBYZLXQPKK-LFIBNONCSA-N	-1	0	381.388	2.678	40	10		GFCBRM
N#CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000033546391	551133792	/nfs/dbraw/zinc/13/37/92/551133792.db2.gz	LJIIXVGDRGBODJ-UVTDQMKNSA-N	-1	0	398.216	2.813	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2	ZINC000059336659	570654999	/nfs/dbraw/zinc/65/49/99/570654999.db2.gz	CEFYGNOLMYQKAX-LFYBBSHMSA-N	-1	0	388.738	2.874	40	10		GFCBRM
COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)OCO4)C(=O)[N-]C2=S)cc1	ZINC000408991205	570690195	/nfs/dbraw/zinc/69/01/95/570690195.db2.gz	PQLIMWFCMMFBNK-OVCLIPMQSA-N	-1	0	396.424	2.564	40	10		GFCBRM
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)OCO4)C(=O)[N-]C2=S)cc1	ZINC000408986756	231142293	/nfs/dbraw/zinc/14/22/93/231142293.db2.gz	DKHOSVFWDNOTMJ-OVCLIPMQSA-N	-1	0	380.425	2.863	40	10		GFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1C[C@@H]1CCCO1	ZINC000409198580	231178064	/nfs/dbraw/zinc/17/80/64/231178064.db2.gz	CFDPDKUXNJHOSB-HKJBKDEOSA-N	-1	0	397.431	2.539	40	10		GFCBRM
CCN(CC)c1ccc(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1	ZINC000057117930	222028007	/nfs/dbraw/zinc/02/80/07/222028007.db2.gz	QOKJSCCAVZYXCM-UHFFFAOYSA-N	-1	0	375.494	2.834	40	10		GFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1O	ZINC000408744205	528197582	/nfs/dbraw/zinc/19/75/82/528197582.db2.gz	ZCJBAAFHGPPYIK-XNTDXEJSSA-N	-1	0	382.441	2.931	40	10		GFCBRM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S	ZINC000005374065	551097765	/nfs/dbraw/zinc/09/77/65/551097765.db2.gz	NWVNLAARPVLLKP-FNWMBBJUSA-N	-1	0	379.459	2.928	40	10		GFCBRM
CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1	ZINC000006554602	570483103	/nfs/dbraw/zinc/48/31/03/570483103.db2.gz	AFMLJIXFCFOXKE-ATVHPVEESA-N	-1	0	394.383	2.538	40	10		GFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)o2)C1=O	ZINC000409230138	231184537	/nfs/dbraw/zinc/18/45/37/231184537.db2.gz	BVULABVYJSOXNB-FYWRMAATSA-N	-1	0	395.415	2.945	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccccc1F	ZINC000409390332	231199118	/nfs/dbraw/zinc/19/91/18/231199118.db2.gz	DZRJNAMONPDARA-NTCAYCPXSA-N	-1	0	376.347	2.678	40	10		GFCBRM
CCCC[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000005374714	220863578	/nfs/dbraw/zinc/86/35/78/220863578.db2.gz	DVNWCORLZJORIF-LFGHMXSPSA-N	-1	0	392.502	2.891	40	10		GFCBRM
O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)C(=O)N1	ZINC000018255681	221391843	/nfs/dbraw/zinc/39/18/43/221391843.db2.gz	NROMRKZIGPCMFE-WUKNDPDISA-N	-1	0	378.395	2.561	40	10		GFCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1OC	ZINC000408845000	533387138	/nfs/dbraw/zinc/38/71/38/533387138.db2.gz	DUGUSRBBINMOTA-LFIBNONCSA-N	-1	0	380.400	2.987	40	10		GFCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1	ZINC000409392426	231200741	/nfs/dbraw/zinc/20/07/41/231200741.db2.gz	MMZDOMKZPCDFJE-SFQUDFHCSA-N	-1	0	376.347	2.678	40	10		GFCBRM
O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccc(F)cc3)c3ccccc23)C(=O)N1	ZINC000005007395	220809771	/nfs/dbraw/zinc/80/97/71/220809771.db2.gz	FAFODRCAYBGTGV-UHFFFAOYSA-N	-1	0	393.374	2.609	40	10		GFCBRM
CCCC[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)[O-]	ZINC000005374851	220863537	/nfs/dbraw/zinc/86/35/37/220863537.db2.gz	DHYBZQKHEFZJMT-JFBXQDQPSA-N	-1	0	392.502	2.647	40	10		GFCBRM
COc1ccc(OC)c(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1	ZINC000408916967	534223264	/nfs/dbraw/zinc/22/32/64/534223264.db2.gz	JSZCXMGEACFRLI-GDNBJRDFSA-N	-1	0	386.404	2.674	40	10		GFCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(Br)c([N+](=O)[O-])c1	ZINC000409207855	534789591	/nfs/dbraw/zinc/78/95/91/534789591.db2.gz	BJOCKZSMTAHDFO-XYOKQWHBSA-N	-1	0	388.177	2.819	40	10		GFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(OCC)c1	ZINC000409224643	528369347	/nfs/dbraw/zinc/36/93/47/528369347.db2.gz	IMGCGRJGVAFBCZ-MHWRWJLKSA-N	-1	0	381.388	2.545	40	10		GFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccccc1Br	ZINC000108168609	655129028	/nfs/dbraw/zinc/12/90/28/655129028.db2.gz	NBWURALISJGRLO-FLIBITNWSA-N	-1	0	390.193	2.617	40	10		GFCBRM
COc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cccc1[N+](=O)[O-]	ZINC000408896752	231126437	/nfs/dbraw/zinc/12/64/37/231126437.db2.gz	HUXWVVSQXVDMRI-GXDHUFHOSA-N	-1	0	381.344	2.578	40	10		GFCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1	ZINC000409375517	529662269	/nfs/dbraw/zinc/66/22/69/529662269.db2.gz	LYEUOUIWNMLPEF-OQLLNIDSSA-N	-1	0	380.425	2.809	40	10		GFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)ccc1O	ZINC000409240556	533473365	/nfs/dbraw/zinc/47/33/65/533473365.db2.gz	UMXUNVBSTHUHHR-DHZHZOJOSA-N	-1	0	388.832	2.886	40	10		GFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C(=O)[N-]C2=S)c1	ZINC000004893424	136194095	/nfs/dbraw/zinc/19/40/95/136194095.db2.gz	GOBQPXGDQDMSHS-GZTJUZNOSA-N	-1	0	382.441	2.925	40	10		GFCBRM