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([N-]c1c(F)cc(F)cc1F)c1sccc1Cl	ZINC000336427889	227004650	/nfs/dbraw/zinc/00/46/50/227004650.db2.gz	MTONHZCVWLTGAZ-UHFFFAOYSA-N	-1	1	291.681	4.071	20	0		CIADMM
CCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)sc1C	ZINC000111667155	328373703	/nfs/dbraw/zinc/37/37/03/328373703.db2.gz	ILWNJWSLCDXZHK-UHFFFAOYSA-N	-1	1	295.791	4.230	20	0		CIADMM
CCc1cc(=O)[n-]c(SC[C@H](C)C2CCCCC2)n1	ZINC000558852083	327126993	/nfs/dbraw/zinc/12/69/93/327126993.db2.gz	BXGQNTKAJCEGMC-NSHDSACASA-N	-1	1	280.437	4.053	20	0		CIADMM
CCc1nc(SCc2cc(C)sc2C)[n-]c(=O)c1C	ZINC000565242976	327539945	/nfs/dbraw/zinc/53/99/45/327539945.db2.gz	VANUKSADOBVSEX-UHFFFAOYSA-N	-1	1	294.445	4.024	20	0		CIADMM
Cc1cccc(C)c1CSc1nc(C(F)F)cc(=O)[n-]1	ZINC000583052862	329304057	/nfs/dbraw/zinc/30/40/57/329304057.db2.gz	KXIWMTJYDKXQTB-UHFFFAOYSA-N	-1	1	296.342	4.029	20	0		CIADMM
CCCCN(Cc1cccc([O-])c1Cl)CC(F)(F)F	ZINC000387117709	329308463	/nfs/dbraw/zinc/30/84/63/329308463.db2.gz	NVOBNFJRYPOYPI-UHFFFAOYSA-N	-1	1	295.732	4.210	20	0		CIADMM
C/C(=C\c1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1	ZINC000445477431	330202968	/nfs/dbraw/zinc/20/29/68/330202968.db2.gz	OBELVYUDTRDWSE-PKNBQFBNSA-N	-1	1	296.301	4.142	20	0		CIADMM
CCOc1cc(-c2noc([C@H](C)CC)n2)cc(Cl)c1[O-]	ZINC000445422867	330213273	/nfs/dbraw/zinc/21/32/73/330213273.db2.gz	RTBYJAHQMSVIFV-MRVPVSSYSA-N	-1	1	296.754	4.008	20	0		CIADMM
Cc1ccsc1-c1nc(-c2ccc([O-])cc2Cl)no1	ZINC000445449319	330373630	/nfs/dbraw/zinc/37/36/30/330373630.db2.gz	NXACCJKMHKTRTK-UHFFFAOYSA-N	-1	1	292.747	4.133	20	0		CIADMM
Cc1cccc([C@H](C)c2nc(-c3ccc([O-])cc3F)no2)c1	ZINC000445463383	330506448	/nfs/dbraw/zinc/50/64/48/330506448.db2.gz	OODYOVIDPBDCQL-NSHDSACASA-N	-1	1	298.317	4.042	20	0		CIADMM
Cc1cccc2c1N(C(=O)c1ccc(C(C)C)cc1[O-])CC2	ZINC000436571188	330680466	/nfs/dbraw/zinc/68/04/66/330680466.db2.gz	BYIBDFPTOQVUEG-UHFFFAOYSA-N	-1	1	295.382	4.027	20	0		CIADMM
Cc1ccccc1/C=C\c1nc(-c2ccc([O-])c(F)c2)no1	ZINC000445479031	330829627	/nfs/dbraw/zinc/82/96/27/330829627.db2.gz	ITCVDDHLBCPERJ-CLFYSBASSA-N	-1	1	296.301	4.060	20	0		CIADMM
CCS[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(C)C	ZINC000445483068	330829713	/nfs/dbraw/zinc/82/97/13/330829713.db2.gz	UYXCFTBCTKQNQN-GFCCVEGCSA-N	-1	1	296.367	4.032	20	0		CIADMM
CC(C)[C@H](C)N(C(=O)c1cc2ccccc2cc1[O-])C1CC1	ZINC000195541193	331176670	/nfs/dbraw/zinc/17/66/70/331176670.db2.gz	KMWVKPBVILFFNB-ZDUSSCGKSA-N	-1	1	297.398	4.195	20	0		CIADMM
C[C@H]1CC[C@@](C)(C(=O)Nc2ccc([O-])c(F)c2F)C1(C)C	ZINC000457889863	331237108	/nfs/dbraw/zinc/23/71/08/331237108.db2.gz	ZBTMKLFESYOGKB-FVMDXXJSSA-N	-1	1	297.345	4.071	20	0		CIADMM
CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000476449117	331664167	/nfs/dbraw/zinc/66/41/67/331664167.db2.gz	OACPFQQEBFGEHM-JQWIXIFHSA-N	-1	1	281.783	4.201	20	0		CIADMM
CC(C)C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000307768413	333016390	/nfs/dbraw/zinc/01/63/90/333016390.db2.gz	BLWQDJAFROYXAY-CQSZACIVSA-N	-1	1	297.398	4.054	20	0		CIADMM
O=C(Nc1cc(Cl)c([O-])c2ccccc12)C1CCCC1	ZINC000529542851	333495792	/nfs/dbraw/zinc/49/57/92/333495792.db2.gz	LPIYEVYMNJFFGY-UHFFFAOYSA-N	-1	1	289.762	4.328	20	0		CIADMM
CSc1ccc(NCc2cccc([O-])c2Cl)cc1	ZINC000385621607	336152859	/nfs/dbraw/zinc/15/28/59/336152859.db2.gz	QKFVKLNMHMQVTB-UHFFFAOYSA-N	-1	1	279.792	4.380	20	0		CIADMM
Cc1cc(F)cc(NCc2cccc([O-])c2Cl)c1	ZINC000385798723	336157053	/nfs/dbraw/zinc/15/70/53/336157053.db2.gz	LKCJFYAUFCREPC-UHFFFAOYSA-N	-1	1	265.715	4.105	20	0		CIADMM
C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc2ccccc2c1[O-]	ZINC000386816003	336180079	/nfs/dbraw/zinc/18/00/79/336180079.db2.gz	QYJXFYSHQBYINS-CXAGYDPISA-N	-1	1	297.398	4.196	20	0		CIADMM
[O-]c1c(-c2nc(-c3ccccc3)no2)ccc2ccccc21	ZINC000387152794	336186251	/nfs/dbraw/zinc/18/62/51/336186251.db2.gz	SAPRBBJLNTXWPJ-UHFFFAOYSA-N	-1	1	288.306	4.262	20	0		CIADMM
CCC[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-]	ZINC000317760935	260556675	/nfs/dbraw/zinc/55/66/75/260556675.db2.gz	WCGAPBSEODOEPF-INIZCTEOSA-N	-1	1	297.398	4.340	20	0		CIADMM
C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000319504763	262234831	/nfs/dbraw/zinc/23/48/31/262234831.db2.gz	BVUPYEMAFDOLEG-HZSPNIEDSA-N	-1	1	297.398	4.052	20	0		CIADMM
CC(C)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1	ZINC000320058691	262386320	/nfs/dbraw/zinc/38/63/20/262386320.db2.gz	KOAAMGMSXSAKCD-UHFFFAOYSA-N	-1	1	297.398	4.054	20	0		CIADMM
CC(C)Cn1ncc([N-]c2nc3ccccc3o2)c1C1CC1	ZINC000569382475	327170750	/nfs/dbraw/zinc/17/07/50/327170750.db2.gz	RCMLTEXURWXNSP-UHFFFAOYSA-N	-1	1	296.374	4.301	20	0		CIADMM
Cc1ccc2nc(-c3ccc(C(C)C)cc3)[n-]c(=O)c2c1	ZINC000518677956	327193588	/nfs/dbraw/zinc/19/35/88/327193588.db2.gz	CMJACASXMLEEPZ-UHFFFAOYSA-N	-1	1	278.355	4.022	20	0		CIADMM
CC1=C(C)C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CC1	ZINC000582966402	329294801	/nfs/dbraw/zinc/29/48/01/329294801.db2.gz	KYMCPGULOPRQKP-LLVKDONJSA-N	-1	1	279.767	4.121	20	0		CIADMM
C[C@H](CC1CCCC1)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000509168651	332860737	/nfs/dbraw/zinc/86/07/37/332860737.db2.gz	GXJAVDUPPRLQKF-SNVBAGLBSA-N	-1	1	281.783	4.201	20	0		CIADMM
[O-]c1cccc(CNc2ccc(F)c(Cl)c2)c1Cl	ZINC000328081024	330311789	/nfs/dbraw/zinc/31/17/89/330311789.db2.gz	AMKHSHFITNNXQI-UHFFFAOYSA-N	-1	1	286.133	4.450	20	0		CIADMM
C[C@@H](N(C)C(=O)c1ccc2ccccc2c1[O-])C(C)(C)C	ZINC000055482204	330365980	/nfs/dbraw/zinc/36/59/80/330365980.db2.gz	DBWIVUUBPZKKTD-GFCCVEGCSA-N	-1	1	285.387	4.052	20	0		CIADMM
Cc1ccccc1[C@H](C)c1noc(-c2ccc([O-])cc2F)n1	ZINC000436685276	330682658	/nfs/dbraw/zinc/68/26/58/330682658.db2.gz	BFWQIQBLRDFOCO-NSHDSACASA-N	-1	1	298.317	4.042	20	0		CIADMM
[O-]c1c(F)cc(/C=C\c2ccc3ccccc3n2)cc1F	ZINC000436772145	330685036	/nfs/dbraw/zinc/68/50/36/330685036.db2.gz	KEFZWLGTOHAHDV-ALCCZGGFSA-N	-1	1	283.277	4.389	20	0		CIADMM
CCC[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1	ZINC000467210438	331412712	/nfs/dbraw/zinc/41/27/12/331412712.db2.gz	CDMRXHIUMKYCFY-LLVKDONJSA-N	-1	1	288.416	4.438	20	0		CIADMM
CC(C)C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000307774292	333016710	/nfs/dbraw/zinc/01/67/10/333016710.db2.gz	LPRNTOIATRQOIX-AWEZNQCLSA-N	-1	1	297.398	4.054	20	0		CIADMM
CC(C)(C)c1ccc(NC(=O)c2ccc([O-])cc2F)cc1	ZINC000226266802	333255710	/nfs/dbraw/zinc/25/57/10/333255710.db2.gz	XSPACBXEHZKJII-UHFFFAOYSA-N	-1	1	287.334	4.081	20	0		CIADMM
C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc2ccccc2c1[O-]	ZINC000386816006	336180032	/nfs/dbraw/zinc/18/00/32/336180032.db2.gz	QYJXFYSHQBYINS-SUMWQHHRSA-N	-1	1	297.398	4.196	20	0		CIADMM
O=C(Nc1ccc(F)cc1[O-])c1cccc(-c2ccoc2)c1	ZINC000340682262	527214282	/nfs/dbraw/zinc/21/42/82/527214282.db2.gz	LVEMTVQUZNFCTN-UHFFFAOYSA-N	-1	1	297.285	4.044	20	0		CIADMM
CCN(C(=O)c1ccc2ccccc2c1[O-])c1ccccc1	ZINC000020260302	171116526	/nfs/dbraw/zinc/11/65/26/171116526.db2.gz	PYMJZGGVVLMZNT-UHFFFAOYSA-N	-1	1	291.350	4.212	20	0		CIADMM
Cc1cc2nc(-c3ccc([O-])c(Cl)c3)[nH]c2cc1C	ZINC000049948344	326867467	/nfs/dbraw/zinc/86/74/67/326867467.db2.gz	UIZNOTOXVVTHNG-UHFFFAOYSA-N	-1	1	272.735	4.206	20	0		CIADMM
Cc1cc(C)c([C@H](C)Sc2ncc(C)c(=O)[n-]2)c(C)c1	ZINC000572424780	330067885	/nfs/dbraw/zinc/06/78/85/330067885.db2.gz	SOWJZUSYCKTYDO-ZDUSSCGKSA-N	-1	1	288.416	4.269	20	0		CIADMM
Cc1cccc(N(C)C(=O)c2ccc3ccccc3c2[O-])c1	ZINC000120037243	330385146	/nfs/dbraw/zinc/38/51/46/330385146.db2.gz	LFWGRJAHNYMSFX-UHFFFAOYSA-N	-1	1	291.350	4.130	20	0		CIADMM
C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1F	ZINC000436242296	330671559	/nfs/dbraw/zinc/67/15/59/330671559.db2.gz	FBQLOMANGZHKQM-VIFPVBQESA-N	-1	1	290.363	4.052	20	0		CIADMM
CC(C)c1ccc(C(=O)N2c3ccccc3C[C@H]2C)c([O-])c1	ZINC000436757392	330684543	/nfs/dbraw/zinc/68/45/43/330684543.db2.gz	TYOCXGDZIOBQOB-CYBMUJFWSA-N	-1	1	295.382	4.107	20	0		CIADMM
CC(C)N(CC1CCC1)C(=O)c1ccc2ccccc2c1[O-]	ZINC000436890355	330687736	/nfs/dbraw/zinc/68/77/36/330687736.db2.gz	ZFBFORCLUIPRJE-UHFFFAOYSA-N	-1	1	297.398	4.196	20	0		CIADMM
CCCCS[C@@H](C)c1nc(-c2ccc([O-])c(F)c2)no1	ZINC000445486414	330829779	/nfs/dbraw/zinc/82/97/79/330829779.db2.gz	MMWNXBUJBOYQMY-VIFPVBQESA-N	-1	1	296.367	4.176	20	0		CIADMM
CCC(CC)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1	ZINC000467208691	331412616	/nfs/dbraw/zinc/41/26/16/331412616.db2.gz	XFBSFSQGKAFXOK-UHFFFAOYSA-N	-1	1	288.416	4.438	20	0		CIADMM
C[C@@H]1CC(C(=O)Nc2ccc([O-])c(Cl)c2)C[C@@H](C)C1	ZINC000502919414	332676418	/nfs/dbraw/zinc/67/64/18/332676418.db2.gz	OTJQNHQYBJUGAM-UWVGGRQHSA-N	-1	1	281.783	4.056	20	0		CIADMM
Cc1ccc(NCc2cccc([O-])c2Cl)c(F)c1	ZINC000328327926	333522371	/nfs/dbraw/zinc/52/23/71/333522371.db2.gz	INSBUZSEKICFNZ-UHFFFAOYSA-N	-1	1	265.715	4.105	20	0		CIADMM
Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)o1	ZINC000576087828	335151339	/nfs/dbraw/zinc/15/13/39/335151339.db2.gz	UYLTYFBVEYUIPS-UHFFFAOYSA-N	-1	1	295.125	4.211	20	0		CIADMM
CC(C)C[C@H](C)CC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000541888149	333796923	/nfs/dbraw/zinc/79/69/23/333796923.db2.gz	UINSHRIUIODMMW-JTQLQIEISA-N	-1	1	269.772	4.056	20	0		CIADMM
Cc1cccc(C(C)C)c1NC(=O)c1cc(F)ccc1[O-]	ZINC000132862274	334008176	/nfs/dbraw/zinc/00/81/76/334008176.db2.gz	FXJMOWGVTULAPZ-UHFFFAOYSA-N	-1	1	287.334	4.215	20	0		CIADMM
Cc1c(=O)[n-]c(SCCC2CC2)nc1-c1ccccc1	ZINC000547498752	334094706	/nfs/dbraw/zinc/09/47/06/334094706.db2.gz	LGGJSPWOQSZFIH-UHFFFAOYSA-N	-1	1	286.400	4.050	20	0		CIADMM
CN(CC1CCCCC1)C(=O)c1ccc2ccccc2c1[O-]	ZINC000386048834	336165535	/nfs/dbraw/zinc/16/55/35/336165535.db2.gz	ZOIVNUWTFNPTCG-UHFFFAOYSA-N	-1	1	297.398	4.198	20	0		CIADMM
CCOCc1cccc(NCc2cccc([O-])c2Cl)c1	ZINC000293359084	520207504	/nfs/dbraw/zinc/20/75/04/520207504.db2.gz	UJWYLAVEWSJPNP-UHFFFAOYSA-N	-1	1	291.778	4.194	20	0		CIADMM
CCCCN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C)CC	ZINC000055487500	520358597	/nfs/dbraw/zinc/35/85/97/520358597.db2.gz	ASXBQJZYGFQSLG-LLVKDONJSA-N	-1	1	283.799	4.086	20	0		CIADMM
CCCC[C@@H](CC)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000085204538	260371394	/nfs/dbraw/zinc/37/13/94/260371394.db2.gz	PDVRPLHVJXRLNU-SNVBAGLBSA-N	-1	1	269.772	4.201	20	0		CIADMM
CC(C)(C)[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000317394553	260212776	/nfs/dbraw/zinc/21/27/76/260212776.db2.gz	KZMFBBXANKQDPC-HNNXBMFYSA-N	-1	1	297.398	4.054	20	0		CIADMM
CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1ccon1	ZINC000104484244	261295511	/nfs/dbraw/zinc/29/55/11/261295511.db2.gz	VMTHFTCOFUYEHE-UHFFFAOYSA-N	-1	1	296.779	4.081	20	0		CIADMM
CSc1ccccc1[N-]C(=O)c1c(F)ccc(F)c1F	ZINC000120123864	267385219	/nfs/dbraw/zinc/38/52/19/267385219.db2.gz	CTEXDANGIRMHMC-UHFFFAOYSA-N	-1	1	297.301	4.078	20	0		CIADMM
CC[C@H](Sc1ncc(C)c(=O)[n-]1)c1ccc(Cl)cc1	ZINC000574824364	327383821	/nfs/dbraw/zinc/38/38/21/327383821.db2.gz	UFFDQFNXGPJMBA-LBPRGKRZSA-N	-1	1	294.807	4.387	20	0		CIADMM
CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)C1CCCC1	ZINC000509171398	332860690	/nfs/dbraw/zinc/86/06/90/332860690.db2.gz	SSVWDAFEAWAULH-UHFFFAOYSA-N	-1	1	281.783	4.201	20	0		CIADMM
C[C@H](CCC(=O)Nc1ccc(F)cc1[O-])c1ccccc1	ZINC000533088541	330332584	/nfs/dbraw/zinc/33/25/84/330332584.db2.gz	QCGMKNSOSLDNAS-GFCCVEGCSA-N	-1	1	287.334	4.054	20	0		CIADMM
[O-]c1ccc(-c2noc([C@@H]3CCC[C@H](F)C3)n2)c(Cl)c1	ZINC000424356679	330346407	/nfs/dbraw/zinc/34/64/07/330346407.db2.gz	LHKPLOZEMWGRSH-BDAKNGLRSA-N	-1	1	296.729	4.091	20	0		CIADMM
[O-]c1ccc(-c2noc([C@@H]3CCC[C@@H](F)C3)n2)c(Cl)c1	ZINC000424356682	330346415	/nfs/dbraw/zinc/34/64/15/330346415.db2.gz	LHKPLOZEMWGRSH-RKDXNWHRSA-N	-1	1	296.729	4.091	20	0		CIADMM
C[C@@H](N(C)C(=O)c1cc2ccccc2cc1[O-])C(C)(C)C	ZINC000055482260	330365971	/nfs/dbraw/zinc/36/59/71/330365971.db2.gz	FRAKYHRRFWOUCF-GFCCVEGCSA-N	-1	1	285.387	4.052	20	0		CIADMM
Cc1cccc(N(C)C(=O)c2cc3ccccc3cc2[O-])c1	ZINC000120037454	330385180	/nfs/dbraw/zinc/38/51/80/330385180.db2.gz	JKBUSUHKZFRRLY-UHFFFAOYSA-N	-1	1	291.350	4.130	20	0		CIADMM
CCCC[C@@H](CCC)Sc1nc(CC)cc(=O)[n-]1	ZINC000436198620	330670757	/nfs/dbraw/zinc/67/07/57/330670757.db2.gz	PWSGJSBAEPRLCE-GFCCVEGCSA-N	-1	1	268.426	4.196	20	0		CIADMM
C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H](C)C1	ZINC000436515969	330678950	/nfs/dbraw/zinc/67/89/50/330678950.db2.gz	SLACVWNLJUJYHD-KGLIPLIRSA-N	-1	1	297.398	4.054	20	0		CIADMM
CC(C)(Cc1nc(-c2ccc([O-])cc2Cl)no1)C1CC1	ZINC000436520286	330679034	/nfs/dbraw/zinc/67/90/34/330679034.db2.gz	DUVWSHUJUJEFON-UHFFFAOYSA-N	-1	1	292.766	4.074	20	0		CIADMM
CC[C@]1(C)CCCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000436576107	330680377	/nfs/dbraw/zinc/68/03/77/330680377.db2.gz	QAGWZGHLWCJHBO-LJQANCHMSA-N	-1	1	297.398	4.198	20	0		CIADMM
C[C@@H]1CCC[C@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000436590146	330680946	/nfs/dbraw/zinc/68/09/46/330680946.db2.gz	MIRXUSWJLMLFRI-KGLIPLIRSA-N	-1	1	297.398	4.196	20	0		CIADMM
CC(C)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)c([O-])c1	ZINC000436757393	330684519	/nfs/dbraw/zinc/68/45/19/330684519.db2.gz	TYOCXGDZIOBQOB-ZDUSSCGKSA-N	-1	1	295.382	4.107	20	0		CIADMM
Cc1ccc([C@H](C)c2noc(-c3cc(F)ccc3[O-])n2)cc1	ZINC000436935134	330689232	/nfs/dbraw/zinc/68/92/32/330689232.db2.gz	VLLSPPFWAJMIQB-NSHDSACASA-N	-1	1	298.317	4.042	20	0		CIADMM
CCS[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(C)C	ZINC000445483069	330829671	/nfs/dbraw/zinc/82/96/71/330829671.db2.gz	UYXCFTBCTKQNQN-LBPRGKRZSA-N	-1	1	296.367	4.032	20	0		CIADMM
CCCCS[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1	ZINC000445486413	330829815	/nfs/dbraw/zinc/82/98/15/330829815.db2.gz	MMWNXBUJBOYQMY-SECBINFHSA-N	-1	1	296.367	4.176	20	0		CIADMM
CC[C@H](CC1CCCC1)C(=O)Nc1ccc([O-])c(F)c1F	ZINC000456781831	331203533	/nfs/dbraw/zinc/20/35/33/331203533.db2.gz	JRXUKMDKVQKROI-LLVKDONJSA-N	-1	1	297.345	4.215	20	0		CIADMM
C[C@@H](CC1CCCCC1)C(=O)Nc1ccc([O-])c(F)c1F	ZINC000456791567	331204108	/nfs/dbraw/zinc/20/41/08/331204108.db2.gz	YPPKXIZAULMLNH-JTQLQIEISA-N	-1	1	297.345	4.215	20	0		CIADMM
O=C(Nc1ccc(F)cc1[O-])c1cc(F)c2ccccc2c1	ZINC000490649164	332099552	/nfs/dbraw/zinc/09/95/52/332099552.db2.gz	IHFARPZUIUXXBX-UHFFFAOYSA-N	-1	1	299.276	4.076	20	0		CIADMM
CC(C)[N@@H+](Cc1cccc([O-])c1Cl)CC1CCC1	ZINC000513265509	333011391	/nfs/dbraw/zinc/01/13/91/333011391.db2.gz	FRVLSLDCVHIKPK-UHFFFAOYSA-N	-1	1	267.800	4.056	20	0		CIADMM
Cc1cccc2nc(-c3cccc(OC(C)C)c3)[n-]c(=O)c12	ZINC000516833112	333083612	/nfs/dbraw/zinc/08/36/12/333083612.db2.gz	XWQAOCLAHSLBNW-UHFFFAOYSA-N	-1	1	294.354	4.098	20	0		CIADMM
Cc1cccc(F)c1NC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000192254338	333233699	/nfs/dbraw/zinc/23/36/99/333233699.db2.gz	TXVISNGIEDEOBW-UHFFFAOYSA-N	-1	1	294.713	4.137	20	0		CIADMM
CCCCc1ccc(NC(=O)c2ccc([O-])cc2F)cc1	ZINC000226266968	333255677	/nfs/dbraw/zinc/25/56/77/333255677.db2.gz	NROFRSGGWSHAHY-UHFFFAOYSA-N	-1	1	287.334	4.126	20	0		CIADMM
CC1(C)CCCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000226611562	333266074	/nfs/dbraw/zinc/26/60/74/333266074.db2.gz	WDARRFKQSHUPEG-LLVKDONJSA-N	-1	1	281.783	4.201	20	0		CIADMM
CC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1	ZINC000315743800	333383402	/nfs/dbraw/zinc/38/34/02/333383402.db2.gz	FMBCEYJDBGWBSA-CQSZACIVSA-N	-1	1	297.398	4.198	20	0		CIADMM
Cc1cc(NCc2cccc([O-])c2Cl)ccc1F	ZINC000328234724	333483516	/nfs/dbraw/zinc/48/35/16/333483516.db2.gz	PHGAITSBVJFWHG-UHFFFAOYSA-N	-1	1	265.715	4.105	20	0		CIADMM
O=C(CCCc1ccccc1)Nc1ccc([O-])c(Cl)c1	ZINC000082193148	334223371	/nfs/dbraw/zinc/22/33/71/334223371.db2.gz	OMQFZYOUDLNTCE-UHFFFAOYSA-N	-1	1	289.762	4.007	20	0		CIADMM
O=C(Nc1ccc(Cl)cc1[O-])c1cc2ccccc2o1	ZINC000153660356	334675961	/nfs/dbraw/zinc/67/59/61/334675961.db2.gz	FPANGLAXFITCKA-UHFFFAOYSA-N	-1	1	287.702	4.044	20	0		CIADMM
[O-]c1cccc(CNc2ccc3ncccc3c2)c1Cl	ZINC000380823791	336033543	/nfs/dbraw/zinc/03/35/43/336033543.db2.gz	GULQGEVKVHBMLI-UHFFFAOYSA-N	-1	1	284.746	4.206	20	0		CIADMM
Cc1ccc(C)c(CSc2nc(C(F)F)cc(=O)[n-]2)c1	ZINC000581694915	336128972	/nfs/dbraw/zinc/12/89/72/336128972.db2.gz	MKHOLSPQBGKDDV-UHFFFAOYSA-N	-1	1	296.342	4.029	20	0		CIADMM
O=C(c1cc2ccccc2cc1[O-])N(C1CCC1)C1CCC1	ZINC000293586237	526639779	/nfs/dbraw/zinc/63/97/79/526639779.db2.gz	ARDVYVDVPYEBKE-UHFFFAOYSA-N	-1	1	295.382	4.093	20	0		CIADMM
Cc1cccc(C)c1NC(=O)c1ccc2ccccc2c1[O-]	ZINC000020260335	171116612	/nfs/dbraw/zinc/11/66/12/171116612.db2.gz	AWKCHCIMJOCHOV-UHFFFAOYSA-N	-1	1	291.350	4.415	20	0		CIADMM
CCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)oc1CC	ZINC000157280592	327914592	/nfs/dbraw/zinc/91/45/92/327914592.db2.gz	CDOVELPVQDKWPF-UHFFFAOYSA-N	-1	1	293.750	4.016	20	0		CIADMM
[O-]c1ccc(-c2noc([C@@H]3CC34CCCC4)n2)c(Cl)c1	ZINC000518474101	327166070	/nfs/dbraw/zinc/16/60/70/327166070.db2.gz	REHPZCPTFXQVBM-NSHDSACASA-N	-1	1	290.750	4.143	20	0		CIADMM
CC(C)CN(C(=O)c1ccc2ccccc2c1[O-])C(C)C	ZINC000047872987	327216257	/nfs/dbraw/zinc/21/62/57/327216257.db2.gz	SGSIFKCJZXYLAN-UHFFFAOYSA-N	-1	1	285.387	4.052	20	0		CIADMM
COc1cc(NCc2cccc([O-])c2Cl)ccc1Cl	ZINC000381449173	327533347	/nfs/dbraw/zinc/53/33/47/327533347.db2.gz	XUWHZXDQNPASSX-UHFFFAOYSA-N	-1	1	298.169	4.320	20	0		CIADMM
C[C@H](N(C)C(=O)c1cc2ccccc2cc1[O-])C(C)(C)C	ZINC000055482257	330365923	/nfs/dbraw/zinc/36/59/23/330365923.db2.gz	FRAKYHRRFWOUCF-LBPRGKRZSA-N	-1	1	285.387	4.052	20	0		CIADMM
C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000314850290	330464679	/nfs/dbraw/zinc/46/46/79/330464679.db2.gz	WSYOHSNCVRGRHX-DZGCQCFKSA-N	-1	1	297.398	4.196	20	0		CIADMM
CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000436607875	330681404	/nfs/dbraw/zinc/68/14/04/330681404.db2.gz	UFNSBQAVZZJQLF-ZDUSSCGKSA-N	-1	1	295.810	4.086	20	0		CIADMM
O=C(Nc1cccc(C2CCC2)c1)c1ccc([O-])cc1F	ZINC000436656648	330682300	/nfs/dbraw/zinc/68/23/00/330682300.db2.gz	RNTTXZMCFSVSOB-UHFFFAOYSA-N	-1	1	285.318	4.051	20	0		CIADMM
CCc1ccc(C(=O)N(C)c2ccccc2C(C)C)c([O-])c1	ZINC000436784868	330685121	/nfs/dbraw/zinc/68/51/21/330685121.db2.gz	RSMDMOFDDCEBCS-UHFFFAOYSA-N	-1	1	297.398	4.355	20	0		CIADMM
Cc1ccccc1[C@@H](C)c1noc(-c2cc(F)ccc2[O-])n1	ZINC000436956627	330689888	/nfs/dbraw/zinc/68/98/88/330689888.db2.gz	OAXZVCWROIASBD-LLVKDONJSA-N	-1	1	298.317	4.042	20	0		CIADMM
[O-]c1c(-c2nc([C@H]3CCCS3)no2)ccc2ccccc21	ZINC000157878403	330808119	/nfs/dbraw/zinc/80/81/19/330808119.db2.gz	GDHRVXFEMZRKDL-CYBMUJFWSA-N	-1	1	298.367	4.164	20	0		CIADMM
CCSc1ccc(-c2nc3ccc(C)cc3c(=O)[n-]2)cc1	ZINC000446143443	330845298	/nfs/dbraw/zinc/84/52/98/330845298.db2.gz	DSPDZOAHLMSFDV-UHFFFAOYSA-N	-1	1	296.395	4.011	20	0		CIADMM
C[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)C1CCCCC1	ZINC000456794490	331204297	/nfs/dbraw/zinc/20/42/97/331204297.db2.gz	QOZVZHWVCHUQNF-JTQLQIEISA-N	-1	1	297.345	4.215	20	0		CIADMM
CCCC(C)(C)CC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000485755663	331923402	/nfs/dbraw/zinc/92/34/02/331923402.db2.gz	JLZWXGQQXXYSDY-UHFFFAOYSA-N	-1	1	269.772	4.201	20	0		CIADMM
Cc1ccc(F)c(NCc2cccc([O-])c2Cl)c1	ZINC000393352217	333256066	/nfs/dbraw/zinc/25/60/66/333256066.db2.gz	KIUNSHHJFAGSCQ-UHFFFAOYSA-N	-1	1	265.715	4.105	20	0		CIADMM
C[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C(C)(C)C	ZINC000082193049	334223639	/nfs/dbraw/zinc/22/36/39/334223639.db2.gz	DCDDXZLOTSRBNM-SECBINFHSA-N	-1	1	269.772	4.056	20	0		CIADMM
Cc1ccc(F)cc1NCc1cccc([O-])c1Cl	ZINC000385831324	336157999	/nfs/dbraw/zinc/15/79/99/336157999.db2.gz	QNDPNGREXIVYDU-UHFFFAOYSA-N	-1	1	265.715	4.105	20	0		CIADMM
C[C@H]1CCC[C@@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000386044000	336165404	/nfs/dbraw/zinc/16/54/04/336165404.db2.gz	YFZUCXGGQAYCHQ-XJKSGUPXSA-N	-1	1	297.398	4.196	20	0		CIADMM
CCCC[C@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-]	ZINC000386500997	336176011	/nfs/dbraw/zinc/17/60/11/336176011.db2.gz	ANQDKXWCIDNJKG-ZDUSSCGKSA-N	-1	1	285.387	4.196	20	0		CIADMM
CCCCN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)CC	ZINC000055487498	520357948	/nfs/dbraw/zinc/35/79/48/520357948.db2.gz	ASXBQJZYGFQSLG-NSHDSACASA-N	-1	1	283.799	4.086	20	0		CIADMM
CCSc1ccc(Cl)cc1[N-]C(=O)c1cc(C)on1	ZINC000104481936	261295644	/nfs/dbraw/zinc/29/56/44/261295644.db2.gz	HJINCLBHTFROGO-UHFFFAOYSA-N	-1	1	296.779	4.001	20	0		CIADMM
CCc1nc(S[C@@H](CC)c2ccccc2)[n-]c(=O)c1C	ZINC000517759102	260232772	/nfs/dbraw/zinc/23/27/72/260232772.db2.gz	ILFXCFPYLYKEPS-AWEZNQCLSA-N	-1	1	288.416	4.296	20	0		CIADMM
CC[C@@H]1CCCCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000319157759	262178506	/nfs/dbraw/zinc/17/85/06/262178506.db2.gz	LUQBDLOFZMYLHT-OAHLLOKOSA-N	-1	1	297.398	4.340	20	0		CIADMM
Cc1cscc1NC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000335859733	265227257	/nfs/dbraw/zinc/22/72/57/265227257.db2.gz	MOTGRSXFPOJVRK-UHFFFAOYSA-N	-1	1	282.752	4.060	20	0		CIADMM
Cc1c(F)cccc1NCc1cccc([O-])c1Cl	ZINC000328493617	328791166	/nfs/dbraw/zinc/79/11/66/328791166.db2.gz	TVXVJKSNWPWCMZ-UHFFFAOYSA-N	-1	1	265.715	4.105	20	0		CIADMM
CCc1sc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1C	ZINC000111668153	328374156	/nfs/dbraw/zinc/37/41/56/328374156.db2.gz	NXMVBYYXGPSKKL-UHFFFAOYSA-N	-1	1	295.791	4.230	20	0		CIADMM
CCOc1cc(-c2noc([C@@H](C)CC)n2)cc(Cl)c1[O-]	ZINC000445422868	330213176	/nfs/dbraw/zinc/21/31/76/330213176.db2.gz	RTBYJAHQMSVIFV-QMMMGPOBSA-N	-1	1	296.754	4.008	20	0		CIADMM
CC(C)C[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-]	ZINC000396754287	330225035	/nfs/dbraw/zinc/22/50/35/330225035.db2.gz	ACBMZEUQNUPPRO-INIZCTEOSA-N	-1	1	297.398	4.196	20	0		CIADMM
[O-]c1ccc(-c2noc([C@@H]3CCCC34CC4)n2)c(Cl)c1	ZINC000528168952	330311216	/nfs/dbraw/zinc/31/12/16/330311216.db2.gz	PVYRIFHCILGEAI-NSHDSACASA-N	-1	1	290.750	4.143	20	0		CIADMM
C[C@@H](CCC(=O)Nc1ccc(F)cc1[O-])c1ccccc1	ZINC000533088542	330332513	/nfs/dbraw/zinc/33/25/13/330332513.db2.gz	QCGMKNSOSLDNAS-LBPRGKRZSA-N	-1	1	287.334	4.054	20	0		CIADMM
C[C@H]1CCC[C@H](N(C)C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000314850642	330464673	/nfs/dbraw/zinc/46/46/73/330464673.db2.gz	WSYOHSNCVRGRHX-ZFWWWQNUSA-N	-1	1	297.398	4.196	20	0		CIADMM
Cc1cnc(SCc2ccc(C(C)(C)C)cc2)[n-]c1=O	ZINC000516089816	330486986	/nfs/dbraw/zinc/48/69/86/330486986.db2.gz	YPFRPUHUOMHIRD-UHFFFAOYSA-N	-1	1	288.416	4.080	20	0		CIADMM
C/C(=C\c1nc(-c2ccc([O-])cc2F)no1)C(C)(C)C	ZINC000445455454	330496334	/nfs/dbraw/zinc/49/63/34/330496334.db2.gz	KMVZHEXTVSNYNT-VQHVLOKHSA-N	-1	1	276.311	4.031	20	0		CIADMM
CCCC[C@H](CC)CSc1nc(CC)cc(=O)[n-]1	ZINC000436186376	330670480	/nfs/dbraw/zinc/67/04/80/330670480.db2.gz	PJJQUYGVTBQVEC-NSHDSACASA-N	-1	1	268.426	4.053	20	0		CIADMM
C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1cccc(F)c1	ZINC000470448625	331482767	/nfs/dbraw/zinc/48/27/67/331482767.db2.gz	SLOKEMJJCOTLJO-VIFPVBQESA-N	-1	1	290.363	4.052	20	0		CIADMM
Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1C	ZINC000476381287	331663128	/nfs/dbraw/zinc/66/31/28/331663128.db2.gz	RYKKNVNTJSREJB-UHFFFAOYSA-N	-1	1	290.750	4.306	20	0		CIADMM
CCC[C@@](C)(CC)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000476446379	331663791	/nfs/dbraw/zinc/66/37/91/331663791.db2.gz	BQBURUFUMYZRJG-CQSZACIVSA-N	-1	1	269.772	4.201	20	0		CIADMM
Cc1cccc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)c1	ZINC000489344170	332048013	/nfs/dbraw/zinc/04/80/13/332048013.db2.gz	HNTZSCLHXLTTHR-UHFFFAOYSA-N	-1	1	278.355	4.434	20	0		CIADMM
Cc1ccc(C)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1	ZINC000190904951	333212054	/nfs/dbraw/zinc/21/20/54/333212054.db2.gz	QXRMVLMIHOHXGC-UHFFFAOYSA-N	-1	1	290.750	4.306	20	0		CIADMM
CC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCC1	ZINC000529539112	333494961	/nfs/dbraw/zinc/49/49/61/333494961.db2.gz	PQEIOHNRNHOLMO-UHFFFAOYSA-N	-1	1	289.762	4.328	20	0		CIADMM
CCC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1	ZINC000529538621	333495068	/nfs/dbraw/zinc/49/50/68/333495068.db2.gz	HMELNAUQMZDEAS-UHFFFAOYSA-N	-1	1	289.762	4.328	20	0		CIADMM
C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000543580311	333881927	/nfs/dbraw/zinc/88/19/27/333881927.db2.gz	ZZYINAUJIIZZMQ-JTQLQIEISA-N	-1	1	283.799	4.447	20	0		CIADMM
C[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C(C)(C)C	ZINC000082193046	334223601	/nfs/dbraw/zinc/22/36/01/334223601.db2.gz	DCDDXZLOTSRBNM-VIFPVBQESA-N	-1	1	269.772	4.056	20	0		CIADMM
CC(C)CN(Cc1cccc([O-])c1Cl)CC(F)(F)F	ZINC000387355856	336193052	/nfs/dbraw/zinc/19/30/52/336193052.db2.gz	SZVNKKVXWMVVJJ-UHFFFAOYSA-N	-1	1	295.732	4.066	20	0		CIADMM
Cc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)c(C)c1	ZINC000186928314	262329559	/nfs/dbraw/zinc/32/95/59/262329559.db2.gz	HFYPSBNIBBPSLG-UHFFFAOYSA-N	-1	1	297.383	4.007	20	0		CIADMM
Cc1cnc(S[C@H]2CCCCc3ccccc32)[n-]c1=O	ZINC000563439519	328065662	/nfs/dbraw/zinc/06/56/62/328065662.db2.gz	MEJOXKQRYPWVHX-AWEZNQCLSA-N	-1	1	286.400	4.050	20	0		CIADMM
O=C(Nc1ccc(F)cc1[O-])c1cc2sccc2s1	ZINC000532267439	328712372	/nfs/dbraw/zinc/71/23/72/328712372.db2.gz	TVNXICZUTBTOQK-UHFFFAOYSA-N	-1	1	293.344	4.060	20	0		CIADMM
CC1=C(C)C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)CC1	ZINC000582966403	329295106	/nfs/dbraw/zinc/29/51/06/329295106.db2.gz	KYMCPGULOPRQKP-NSHDSACASA-N	-1	1	279.767	4.121	20	0		CIADMM
CC1CCC(CC(=O)Nc2ccc([O-])c(Cl)c2)CC1	ZINC000509188101	332861110	/nfs/dbraw/zinc/86/11/10/332861110.db2.gz	YZOLHGKAXQIAAR-UHFFFAOYSA-N	-1	1	281.783	4.201	20	0		CIADMM
[O-]c1ccc(-c2noc([C@H]3CCCC34CC4)n2)c(Cl)c1	ZINC000528168951	330311195	/nfs/dbraw/zinc/31/11/95/330311195.db2.gz	PVYRIFHCILGEAI-LLVKDONJSA-N	-1	1	290.750	4.143	20	0		CIADMM
C[C@H](N(C)C(=O)c1ccc2ccccc2c1[O-])C(C)(C)C	ZINC000055482203	330365956	/nfs/dbraw/zinc/36/59/56/330365956.db2.gz	DBWIVUUBPZKKTD-LBPRGKRZSA-N	-1	1	285.387	4.052	20	0		CIADMM
CCCCN(C(=O)c1ccc([O-])cc1F)C1CCCCC1	ZINC000436801948	330685404	/nfs/dbraw/zinc/68/54/04/330685404.db2.gz	ADGUWXLZFOGOSO-UHFFFAOYSA-N	-1	1	293.382	4.106	20	0		CIADMM
CC(C)(C)[C@H]1CN(C(=O)c2ccccc2[O-])c2ccccc21	ZINC000436815600	330685771	/nfs/dbraw/zinc/68/57/71/330685771.db2.gz	LTAFHFQPTOVCDK-HNNXBMFYSA-N	-1	1	295.382	4.182	20	0		CIADMM
CC1(C)CCCCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000438509555	330726509	/nfs/dbraw/zinc/72/65/09/330726509.db2.gz	PHCQSPGIUJVADP-UHFFFAOYSA-N	-1	1	297.398	4.198	20	0		CIADMM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccsc2)cc1	ZINC000462101452	331317350	/nfs/dbraw/zinc/31/73/50/331317350.db2.gz	YAHVZRLLEBIPLU-NSHDSACASA-N	-1	1	295.429	4.062	20	0		CIADMM
Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1C	ZINC000190906627	333212189	/nfs/dbraw/zinc/21/21/89/333212189.db2.gz	KMHMGAMYVXQLMH-UHFFFAOYSA-N	-1	1	290.750	4.306	20	0		CIADMM
Cc1ccc(F)cc1NC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000190917601	333212326	/nfs/dbraw/zinc/21/23/26/333212326.db2.gz	UXZLNMQEFFBZCR-UHFFFAOYSA-N	-1	1	294.713	4.137	20	0		CIADMM
Cc1cccc2nc(-c3ccc4ccccc4c3)[n-]c(=O)c12	ZINC000564192085	333277513	/nfs/dbraw/zinc/27/75/13/333277513.db2.gz	DAMPMKWLDGRZQN-UHFFFAOYSA-N	-1	1	286.334	4.464	20	0		CIADMM
CCc1ccc(NCc2cccc([O-])c2Cl)cc1	ZINC000382385267	336086865	/nfs/dbraw/zinc/08/68/65/336086865.db2.gz	MHLUCZHJUXBZKO-UHFFFAOYSA-N	-1	1	261.752	4.220	20	0		CIADMM
Cc1ccc(NCc2cccc([O-])c2Cl)cc1F	ZINC000385821318	336157623	/nfs/dbraw/zinc/15/76/23/336157623.db2.gz	OWPPOPHTSOZUCX-UHFFFAOYSA-N	-1	1	265.715	4.105	20	0		CIADMM
CC[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1	ZINC000387235686	336189344	/nfs/dbraw/zinc/18/93/44/336189344.db2.gz	PQDTVJRGUMCTEC-AWEZNQCLSA-N	-1	1	297.398	4.198	20	0		CIADMM
Cc1cscc1NC(=O)c1ccc2ccccc2c1[O-]	ZINC000387342350	336192795	/nfs/dbraw/zinc/19/27/95/336192795.db2.gz	QMZKUVNRVDHNJT-UHFFFAOYSA-N	-1	1	283.352	4.168	20	0		CIADMM
CC(C)c1ccoc1C(=O)Nc1ccc(Cl)cc1[O-]	ZINC000339960265	519849502	/nfs/dbraw/zinc/84/95/02/519849502.db2.gz	OHSHISOKYIOFTM-UHFFFAOYSA-N	-1	1	279.723	4.014	20	0		CIADMM
CCCC[C@H](CCC)CNC(=O)c1c(F)ccc([O-])c1F	ZINC000574606587	335033661	/nfs/dbraw/zinc/03/36/61/335033661.db2.gz	LFGXNKQXDMAWBD-NSHDSACASA-N	-1	1	299.361	4.007	20	0		CIADMM
O=C(Nc1ccc(F)cc1F)c1ccc2ccccc2c1[O-]	ZINC000020260331	171116878	/nfs/dbraw/zinc/11/68/78/171116878.db2.gz	VBLPLKGSKRRILQ-UHFFFAOYSA-N	-1	1	299.276	4.076	20	0		CIADMM
CCCC[C@H](CC)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000085204540	260371768	/nfs/dbraw/zinc/37/17/68/260371768.db2.gz	PDVRPLHVJXRLNU-JTQLQIEISA-N	-1	1	269.772	4.201	20	0		CIADMM
CCCC[C@H](C)N(C)C(=O)c1ccc2ccccc2c1[O-]	ZINC000313987354	261553955	/nfs/dbraw/zinc/55/39/55/261553955.db2.gz	CBKBTJOMQCVYGT-ZDUSSCGKSA-N	-1	1	285.387	4.196	20	0		CIADMM
CC[C@H]1CCCCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000319157756	262178719	/nfs/dbraw/zinc/17/87/19/262178719.db2.gz	LUQBDLOFZMYLHT-HNNXBMFYSA-N	-1	1	297.398	4.340	20	0		CIADMM
C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc([O-])c(F)c1F	ZINC000456775826	264335645	/nfs/dbraw/zinc/33/56/45/264335645.db2.gz	DOZSGBOCTYWKNI-VIFPVBQESA-N	-1	1	285.334	4.071	20	0		CIADMM
Cc1cnc(S[C@@H]2CCCCc3ccccc32)[n-]c1=O	ZINC000563439520	328065711	/nfs/dbraw/zinc/06/57/11/328065711.db2.gz	MEJOXKQRYPWVHX-CQSZACIVSA-N	-1	1	286.400	4.050	20	0		CIADMM
Cc1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)o1	ZINC000563674758	328083663	/nfs/dbraw/zinc/08/36/63/328083663.db2.gz	AAJAFTMODZPSKI-UHFFFAOYSA-N	-1	1	292.294	4.164	20	0		CIADMM
CC(C)CCc1noc(-c2ccc3ccccc3c2[O-])n1	ZINC000111689273	328374867	/nfs/dbraw/zinc/37/48/67/328374867.db2.gz	QSJNURJKWKYIIU-UHFFFAOYSA-N	-1	1	282.343	4.184	20	0		CIADMM
CC[C@@H]1CCCCCN1C(=O)c1cc2ccccc2cc1[O-]	ZINC000317441418	327010045	/nfs/dbraw/zinc/01/00/45/327010045.db2.gz	UHFQNLSIGRHHCK-MRXNPFEDSA-N	-1	1	297.398	4.340	20	0		CIADMM
Cc1oc(C(C)C)cc1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000560598068	327329814	/nfs/dbraw/zinc/32/98/14/327329814.db2.gz	ABWROYMHRUHNJY-UHFFFAOYSA-N	-1	1	293.750	4.323	20	0		CIADMM
CCC[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000387588643	327374886	/nfs/dbraw/zinc/37/48/86/327374886.db2.gz	OBLKWQHGKLVFFG-OAHLLOKOSA-N	-1	1	297.398	4.340	20	0		CIADMM
CC(C)C[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000396784867	330225608	/nfs/dbraw/zinc/22/56/08/330225608.db2.gz	PWCYMOFQNIVZGR-HNNXBMFYSA-N	-1	1	297.398	4.196	20	0		CIADMM
CC(C)(C)/C=C/c1nc(-c2ccc([O-])cc2Cl)no1	ZINC000445448194	330367570	/nfs/dbraw/zinc/36/75/70/330367570.db2.gz	RBNRAOGDPLRLQT-VOTSOKGWSA-N	-1	1	278.739	4.155	20	0		CIADMM
C/C(=C\c1nc(-c2ccc([O-])cc2F)no1)c1ccccc1	ZINC000445459000	330498129	/nfs/dbraw/zinc/49/81/29/330498129.db2.gz	WPJVFRCDCHRXKA-PKNBQFBNSA-N	-1	1	296.301	4.142	20	0		CIADMM
CC(C)CC[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000436607872	330681513	/nfs/dbraw/zinc/68/15/13/330681513.db2.gz	UFNSBQAVZZJQLF-CYBMUJFWSA-N	-1	1	295.810	4.086	20	0		CIADMM
C[C@H](CC(C)(C)C)c1nc(-c2ccc([O-])c(F)c2)no1	ZINC000436869817	330687080	/nfs/dbraw/zinc/68/70/80/330687080.db2.gz	BVWFAJARHAHXRR-SECBINFHSA-N	-1	1	278.327	4.121	20	0		CIADMM
CC(C)CCN(C(=O)c1cc2ccccc2cc1[O-])C1CC1	ZINC000195621794	331179105	/nfs/dbraw/zinc/17/91/05/331179105.db2.gz	IZLPFQKBOKAMFN-UHFFFAOYSA-N	-1	1	297.398	4.196	20	0		CIADMM
CCC[C@@H](CC(C)C)C(=O)Nc1ccc([O-])c(F)c1F	ZINC000456776675	331202851	/nfs/dbraw/zinc/20/28/51/331202851.db2.gz	DXFXCDSOXBDNHS-JTQLQIEISA-N	-1	1	285.334	4.071	20	0		CIADMM
CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000476449119	331664236	/nfs/dbraw/zinc/66/42/36/331664236.db2.gz	OACPFQQEBFGEHM-ZYHUDNBSSA-N	-1	1	281.783	4.201	20	0		CIADMM
CCCOc1cccc(NCc2cccc([O-])c2Cl)c1	ZINC000328197917	333467600	/nfs/dbraw/zinc/46/76/00/333467600.db2.gz	FIEJVSJXZAZQOM-UHFFFAOYSA-N	-1	1	291.778	4.447	20	0		CIADMM
CC1(CC(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1	ZINC000529539091	333495080	/nfs/dbraw/zinc/49/50/80/333495080.db2.gz	PMHNHQSYFZKXFN-UHFFFAOYSA-N	-1	1	289.762	4.328	20	0		CIADMM
O=C(Nc1ccc(F)cc1[O-])c1ccc(-c2ccccc2)o1	ZINC000541454633	333776676	/nfs/dbraw/zinc/77/66/76/333776676.db2.gz	WWJJWQKAVRVSBM-UHFFFAOYSA-N	-1	1	297.285	4.044	20	0		CIADMM
Cc1cccc([C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)c1	ZINC000156759943	334749412	/nfs/dbraw/zinc/74/94/12/334749412.db2.gz	ZCNRCAKWFOCJAZ-LLVKDONJSA-N	-1	1	289.762	4.096	20	0		CIADMM
CCOc1ccccc1NCc1cccc([O-])c1Cl	ZINC000381369385	336060583	/nfs/dbraw/zinc/06/05/83/336060583.db2.gz	IJLCOYIBSFOOAO-UHFFFAOYSA-N	-1	1	277.751	4.056	20	0		CIADMM
CCc1nc(S[C@@H](C)c2ccc(F)cc2)[n-]c(=O)c1C	ZINC000574770337	335046535	/nfs/dbraw/zinc/04/65/35/335046535.db2.gz	HZPFOVTUQZVWHN-JTQLQIEISA-N	-1	1	292.379	4.045	20	0		CIADMM
CCN(CC(C)(C)C)C(=O)c1ccc2ccccc2c1[O-]	ZINC000314399288	261635336	/nfs/dbraw/zinc/63/53/36/261635336.db2.gz	USQQRLTYJQTYFJ-UHFFFAOYSA-N	-1	1	285.387	4.054	20	0		CIADMM
C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000319504766	262234969	/nfs/dbraw/zinc/23/49/69/262234969.db2.gz	BVUPYEMAFDOLEG-MGPQQGTHSA-N	-1	1	297.398	4.052	20	0		CIADMM
CC[C@@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccccc1	ZINC000531755998	328030467	/nfs/dbraw/zinc/03/04/67/328030467.db2.gz	ZYICAJZPHQGJQJ-LBPRGKRZSA-N	-1	1	287.334	4.054	20	0		CIADMM
[O-]c1c(-c2nc(C3CCCC3)no2)ccc2ccccc21	ZINC000111686610	328374618	/nfs/dbraw/zinc/37/46/18/328374618.db2.gz	FWCACFIUABBOLA-UHFFFAOYSA-N	-1	1	280.327	4.253	20	0		CIADMM
CC[C@H]1CCCCCN1C(=O)c1cc2ccccc2cc1[O-]	ZINC000317441417	327010043	/nfs/dbraw/zinc/01/00/43/327010043.db2.gz	UHFQNLSIGRHHCK-INIZCTEOSA-N	-1	1	297.398	4.340	20	0		CIADMM
Cc1cnc(SCc2ccc(C3CCC3)cc2)[n-]c1=O	ZINC000569379780	327169836	/nfs/dbraw/zinc/16/98/36/327169836.db2.gz	QTOYCYHTTPXSKN-UHFFFAOYSA-N	-1	1	286.400	4.050	20	0		CIADMM
Cc1nc2cc(NCc3cccc([O-])c3Cl)ccc2o1	ZINC000394287169	327251581	/nfs/dbraw/zinc/25/15/81/327251581.db2.gz	KYWSTVVSMDNJTA-UHFFFAOYSA-N	-1	1	288.734	4.107	20	0		CIADMM
CC(C)CCN(C(=O)c1ccc2ccccc2c1[O-])C1CC1	ZINC000314810429	329540952	/nfs/dbraw/zinc/54/09/52/329540952.db2.gz	FPKMSXQBMQLSDT-UHFFFAOYSA-N	-1	1	297.398	4.196	20	0		CIADMM
Cc1ccccc1[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1	ZINC000564130239	329872481	/nfs/dbraw/zinc/87/24/81/329872481.db2.gz	BUQDRHJSAQTVSW-VIFPVBQESA-N	-1	1	296.342	4.282	20	0		CIADMM
[O-]c1ccc(-c2noc([C@H]3CCC[C@H](F)C3)n2)c(Cl)c1	ZINC000424356681	330346366	/nfs/dbraw/zinc/34/63/66/330346366.db2.gz	LHKPLOZEMWGRSH-IUCAKERBSA-N	-1	1	296.729	4.091	20	0		CIADMM
CC1=C(c2nc(-c3ccc([O-])cc3Cl)no2)CCC1	ZINC000445446895	330362737	/nfs/dbraw/zinc/36/27/37/330362737.db2.gz	GAXPUANQARBNCW-UHFFFAOYSA-N	-1	1	276.723	4.053	20	0		CIADMM
Cc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1	ZINC000445449873	330444490	/nfs/dbraw/zinc/44/44/90/330444490.db2.gz	QEGXWPKDEXHVFG-UHFFFAOYSA-N	-1	1	286.718	4.071	20	0		CIADMM
[O-]c1ccc(-c2noc([C@@H]3CC34CCCCC4)n2)c(F)c1	ZINC000445455307	330496320	/nfs/dbraw/zinc/49/63/20/330496320.db2.gz	JXILYNJWXSSQBP-LBPRGKRZSA-N	-1	1	288.322	4.019	20	0		CIADMM
CC(C)C[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1	ZINC000436874350	330687226	/nfs/dbraw/zinc/68/72/26/330687226.db2.gz	TXEHMPXEBAHODI-VIFPVBQESA-N	-1	1	280.755	4.245	20	0		CIADMM
CC(C)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000444521634	330813732	/nfs/dbraw/zinc/81/37/32/330813732.db2.gz	SZZVRSCQTWQTFE-INIZCTEOSA-N	-1	1	297.398	4.054	20	0		CIADMM
CCCC[C@@H](CC)CC(=O)Nc1ccc([O-])c(F)c1F	ZINC000456781903	331203572	/nfs/dbraw/zinc/20/35/72/331203572.db2.gz	KAXYWLSCQJOXSR-SNVBAGLBSA-N	-1	1	285.334	4.215	20	0		CIADMM
CCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCCC1	ZINC000461440405	331313399	/nfs/dbraw/zinc/31/33/99/331313399.db2.gz	BSKVPLLVMACISU-UHFFFAOYSA-N	-1	1	281.783	4.345	20	0		CIADMM
C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccc(F)cc1	ZINC000470454638	331483033	/nfs/dbraw/zinc/48/30/33/331483033.db2.gz	CBBPOZNTLXKHFH-VIFPVBQESA-N	-1	1	290.363	4.052	20	0		CIADMM
CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000476449116	331664263	/nfs/dbraw/zinc/66/42/63/331664263.db2.gz	OACPFQQEBFGEHM-CMPLNLGQSA-N	-1	1	281.783	4.201	20	0		CIADMM
Cc1cc(F)cc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1	ZINC000190979691	333213120	/nfs/dbraw/zinc/21/31/20/333213120.db2.gz	GPFSYFOLEBSBFO-UHFFFAOYSA-N	-1	1	294.713	4.137	20	0		CIADMM
CC1(C)CCCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000226611570	333265966	/nfs/dbraw/zinc/26/59/66/333265966.db2.gz	WDARRFKQSHUPEG-NSHDSACASA-N	-1	1	281.783	4.201	20	0		CIADMM
CC(C)(C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12	ZINC000529546755	333496282	/nfs/dbraw/zinc/49/62/82/333496282.db2.gz	WLUSPSQNNUWDFY-UHFFFAOYSA-N	-1	1	277.751	4.183	20	0		CIADMM
COc1ccc(Cl)cc1NCc1cccc([O-])c1Cl	ZINC000328472800	333533116	/nfs/dbraw/zinc/53/31/16/333533116.db2.gz	NQICUCZRPBXHKK-UHFFFAOYSA-N	-1	1	298.169	4.320	20	0		CIADMM
CCc1cccc(NCc2cccc([O-])c2Cl)c1	ZINC000328480046	333533518	/nfs/dbraw/zinc/53/35/18/333533518.db2.gz	PMVRLYSVPXYZSV-UHFFFAOYSA-N	-1	1	261.752	4.220	20	0		CIADMM
CC[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1	ZINC000070333877	333807200	/nfs/dbraw/zinc/80/72/00/333807200.db2.gz	RZGBKVUDELYWDD-ZDUSSCGKSA-N	-1	1	289.762	4.178	20	0		CIADMM
C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc2ccccc2c1[O-]	ZINC000386816005	336180052	/nfs/dbraw/zinc/18/00/52/336180052.db2.gz	QYJXFYSHQBYINS-GUYCJALGSA-N	-1	1	297.398	4.196	20	0		CIADMM
CC[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1	ZINC000387235689	336189425	/nfs/dbraw/zinc/18/94/25/336189425.db2.gz	PQDTVJRGUMCTEC-CQSZACIVSA-N	-1	1	297.398	4.198	20	0		CIADMM
CC(C)c1ccc(NC(=O)c2cncc([O-])c2)c(C(C)C)c1	ZINC000387360497	336193064	/nfs/dbraw/zinc/19/30/64/336193064.db2.gz	ZQMRKFPBCUXLBJ-UHFFFAOYSA-N	-1	1	298.386	4.286	20	0		CIADMM
CCCC[C@@H](CCC)CNC(=O)c1c(F)ccc([O-])c1F	ZINC000574606585	335033581	/nfs/dbraw/zinc/03/35/81/335033581.db2.gz	LFGXNKQXDMAWBD-LLVKDONJSA-N	-1	1	299.361	4.007	20	0		CIADMM
COc1ccc(C(=O)Nc2c(C)cccc2C(C)C)c([O-])c1	ZINC000020260216	171117167	/nfs/dbraw/zinc/11/71/67/171117167.db2.gz	IAQBORJHGOTSPN-UHFFFAOYSA-N	-1	1	299.370	4.085	20	0		CIADMM
CCN(C(=O)c1ccccc1[O-])c1cccc2ccccc21	ZINC000020260222	171117292	/nfs/dbraw/zinc/11/72/92/171117292.db2.gz	ROJUWCFETVVJNG-UHFFFAOYSA-N	-1	1	291.350	4.212	20	0		CIADMM
Cc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1C	ZINC000186928829	262329588	/nfs/dbraw/zinc/32/95/88/262329588.db2.gz	NLYKDHIAJSZBCG-UHFFFAOYSA-N	-1	1	297.383	4.007	20	0		CIADMM
C[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1	ZINC000111666285	328373726	/nfs/dbraw/zinc/37/37/26/328373726.db2.gz	AVZMJORMSIZQIQ-LLVKDONJSA-N	-1	1	289.762	4.178	20	0		CIADMM
[O-]c1ccc(-c2noc([C@H]3CCC[C@@H](F)C3)n2)c(Cl)c1	ZINC000424356680	330346353	/nfs/dbraw/zinc/34/63/53/330346353.db2.gz	LHKPLOZEMWGRSH-DTWKUNHWSA-N	-1	1	296.729	4.091	20	0		CIADMM
CCC(CC)N(C(=O)c1ccc2ccccc2c1[O-])C1CC1	ZINC000537638818	330452342	/nfs/dbraw/zinc/45/23/42/330452342.db2.gz	XAUFRZGHIDQVIV-UHFFFAOYSA-N	-1	1	297.398	4.339	20	0		CIADMM
CCS[C@H](c1nc(-c2ccc([O-])cc2F)no1)C(C)C	ZINC000445452248	330495811	/nfs/dbraw/zinc/49/58/11/330495811.db2.gz	BGPLGZFYPQHAOB-LBPRGKRZSA-N	-1	1	296.367	4.032	20	0		CIADMM
[O-]c1ccc(-c2noc(C3CCCCCC3)n2)c(F)c1	ZINC000445453229	330495971	/nfs/dbraw/zinc/49/59/71/330495971.db2.gz	AXVSTCRLLWIHBG-UHFFFAOYSA-N	-1	1	276.311	4.019	20	0		CIADMM
C[C@@H]1C[C@H](C)CCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000436514478	330678918	/nfs/dbraw/zinc/67/89/18/330678918.db2.gz	OTHHUJMPBLKOEM-ZIAGYGMSSA-N	-1	1	297.398	4.054	20	0		CIADMM
Cc1cccc(C)c1NC(=O)c1ccc(C(C)C)cc1[O-]	ZINC000436578372	330680708	/nfs/dbraw/zinc/68/07/08/330680708.db2.gz	VJBUQPKFEYPXIK-UHFFFAOYSA-N	-1	1	283.371	4.385	20	0		CIADMM
CC(C)C[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1	ZINC000436874349	330687297	/nfs/dbraw/zinc/68/72/97/330687297.db2.gz	TXEHMPXEBAHODI-SECBINFHSA-N	-1	1	280.755	4.245	20	0		CIADMM
CC(C)N(CC1CCC1)C(=O)c1cc2ccccc2cc1[O-]	ZINC000436884456	330687723	/nfs/dbraw/zinc/68/77/23/330687723.db2.gz	CVENCDORCHPDIG-UHFFFAOYSA-N	-1	1	297.398	4.196	20	0		CIADMM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccsc2)cc1	ZINC000462101451	331317365	/nfs/dbraw/zinc/31/73/65/331317365.db2.gz	YAHVZRLLEBIPLU-LLVKDONJSA-N	-1	1	295.429	4.062	20	0		CIADMM
[O-]c1cccc(CNc2cccc(OC(F)F)c2)c1Cl	ZINC000328229589	333480300	/nfs/dbraw/zinc/48/03/00/333480300.db2.gz	NRTLZETVKBXOAT-UHFFFAOYSA-N	-1	1	299.704	4.259	20	0		CIADMM
CC(C)C[C@@H](C)CC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000541888151	333796889	/nfs/dbraw/zinc/79/68/89/333796889.db2.gz	UINSHRIUIODMMW-SNVBAGLBSA-N	-1	1	269.772	4.056	20	0		CIADMM
CC[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C(C)C	ZINC000543746362	333894493	/nfs/dbraw/zinc/89/44/93/333894493.db2.gz	SMKGNNQGTHSXCZ-JTQLQIEISA-N	-1	1	269.772	4.056	20	0		CIADMM
[O-]c1ccc(-c2noc(C(F)=C3CCCC3)n2)c(Cl)c1	ZINC000551420088	334250012	/nfs/dbraw/zinc/25/00/12/334250012.db2.gz	OIMAEEULVOMUAJ-UHFFFAOYSA-N	-1	1	294.713	4.350	20	0		CIADMM
CCN(C(=O)c1cc2ccccc2cc1[O-])[C@@H](C)C(C)C	ZINC000553404387	334382907	/nfs/dbraw/zinc/38/29/07/334382907.db2.gz	ZJBMJAIVEMSNPE-ZDUSSCGKSA-N	-1	1	285.387	4.052	20	0		CIADMM
CCCn1ncc([N-]c2nc3ccccc3o2)c1C1CC1	ZINC000580619085	335303714	/nfs/dbraw/zinc/30/37/14/335303714.db2.gz	AEJWGHDRUVSSMB-UHFFFAOYSA-N	-1	1	282.347	4.055	20	0		CIADMM
CC(C)Oc1ccccc1NCc1cccc([O-])c1Cl	ZINC000380876946	336038233	/nfs/dbraw/zinc/03/82/33/336038233.db2.gz	ZVVILSZZUQCWNB-UHFFFAOYSA-N	-1	1	291.778	4.445	20	0		CIADMM
C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc2ccccc2c1[O-]	ZINC000386816004	336180087	/nfs/dbraw/zinc/18/00/87/336180087.db2.gz	QYJXFYSHQBYINS-DYVFJYSZSA-N	-1	1	297.398	4.196	20	0		CIADMM
CCc1nc(S[C@H](C)c2ccc(F)cc2)[n-]c(=O)c1C	ZINC000574770338	335046496	/nfs/dbraw/zinc/04/64/96/335046496.db2.gz	HZPFOVTUQZVWHN-SNVBAGLBSA-N	-1	1	292.379	4.045	20	0		CIADMM
Cc1c2ccccc2oc1[C@H](C)[N-]c1nc(C(C)C)no1	ZINC000301339724	227514953	/nfs/dbraw/zinc/51/49/53/227514953.db2.gz	POQNTICAYFKBLH-NSHDSACASA-N	-1	1	285.347	4.421	20	0		CIADMM
CC(C)(C)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000317394565	260212442	/nfs/dbraw/zinc/21/24/42/260212442.db2.gz	KZMFBBXANKQDPC-OAHLLOKOSA-N	-1	1	297.398	4.054	20	0		CIADMM
Cc1cc2cc(C(=O)Nc3ccc(F)cc3[O-])oc2cc1C	ZINC000533971888	328029917	/nfs/dbraw/zinc/02/99/17/328029917.db2.gz	LJBYAUOPPOTFOQ-UHFFFAOYSA-N	-1	1	299.301	4.147	20	0		CIADMM
C[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1	ZINC000111666284	328373760	/nfs/dbraw/zinc/37/37/60/328373760.db2.gz	AVZMJORMSIZQIQ-NSHDSACASA-N	-1	1	289.762	4.178	20	0		CIADMM
CCCc1cc(C(=O)Nc2ccc(F)cc2[O-])sc1C	ZINC000532266728	328712398	/nfs/dbraw/zinc/71/23/98/328712398.db2.gz	VWVGXHVGPOTKFP-UHFFFAOYSA-N	-1	1	293.363	4.106	20	0		CIADMM
CC(C)(c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCC1	ZINC000445475951	329756336	/nfs/dbraw/zinc/75/63/36/329756336.db2.gz	WYLGRGPPWCYTRB-UHFFFAOYSA-N	-1	1	290.338	4.049	20	0		CIADMM
CC(C)C[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-]	ZINC000396754296	330225069	/nfs/dbraw/zinc/22/50/69/330225069.db2.gz	ACBMZEUQNUPPRO-MRXNPFEDSA-N	-1	1	297.398	4.196	20	0		CIADMM
Cc1ccccc1-c1nc(-c2ccc([O-])cc2Cl)no1	ZINC000445447163	330362939	/nfs/dbraw/zinc/36/29/39/330362939.db2.gz	GWWTYBVJEHZKPK-UHFFFAOYSA-N	-1	1	286.718	4.071	20	0		CIADMM
O=C(Nc1ccccc1-c1cccs1)c1ccccc1[O-]	ZINC000436753891	330684197	/nfs/dbraw/zinc/68/41/97/330684197.db2.gz	FXILVMLACLRBRL-UHFFFAOYSA-N	-1	1	295.363	4.373	20	0		CIADMM
Cc1ccc([C@@H](C)c2noc(-c3cc(F)ccc3[O-])n2)cc1	ZINC000436935132	330689244	/nfs/dbraw/zinc/68/92/44/330689244.db2.gz	VLLSPPFWAJMIQB-LLVKDONJSA-N	-1	1	298.317	4.042	20	0		CIADMM
COc1cccc(C)c1NC(=O)c1ccc(C(C)C)cc1[O-]	ZINC000444463192	330813359	/nfs/dbraw/zinc/81/33/59/330813359.db2.gz	XAAFBHXMVTVXHE-UHFFFAOYSA-N	-1	1	299.370	4.085	20	0		CIADMM
CC[C@@H](CC1CCCC1)C(=O)Nc1ccc([O-])c(F)c1F	ZINC000456781833	331203579	/nfs/dbraw/zinc/20/35/79/331203579.db2.gz	JRXUKMDKVQKROI-NSHDSACASA-N	-1	1	297.345	4.215	20	0		CIADMM
Cc1nc(SCc2ccc(C(F)F)cc2)[n-]c(=O)c1C	ZINC000461405241	331312938	/nfs/dbraw/zinc/31/29/38/331312938.db2.gz	IVPOMGRPUBRLLG-UHFFFAOYSA-N	-1	1	296.342	4.029	20	0		CIADMM
CC(C)C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000307774293	333016582	/nfs/dbraw/zinc/01/65/82/333016582.db2.gz	LPRNTOIATRQOIX-CQSZACIVSA-N	-1	1	297.398	4.054	20	0		CIADMM
CC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1	ZINC000315743798	333383360	/nfs/dbraw/zinc/38/33/60/333383360.db2.gz	FMBCEYJDBGWBSA-AWEZNQCLSA-N	-1	1	297.398	4.198	20	0		CIADMM
[O-]c1cccc(CNc2cccc(Cl)c2)c1Cl	ZINC000328458313	333533164	/nfs/dbraw/zinc/53/31/64/333533164.db2.gz	IUYDUBKSBXEFNU-UHFFFAOYSA-N	-1	1	268.143	4.311	20	0		CIADMM
CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1cccs1	ZINC000129600784	333780569	/nfs/dbraw/zinc/78/05/69/333780569.db2.gz	QFHAQGTVVYHEIN-UHFFFAOYSA-N	-1	1	295.791	4.023	20	0		CIADMM
CC[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1	ZINC000070333879	333807302	/nfs/dbraw/zinc/80/73/02/333807302.db2.gz	RZGBKVUDELYWDD-CYBMUJFWSA-N	-1	1	289.762	4.178	20	0		CIADMM
CC(C)=CCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1	ZINC000551461195	334250938	/nfs/dbraw/zinc/25/09/38/334250938.db2.gz	JJYSMYRGCCNHIY-UHFFFAOYSA-N	-1	1	286.400	4.216	20	0		CIADMM
C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000386043993	336165194	/nfs/dbraw/zinc/16/51/94/336165194.db2.gz	YFZUCXGGQAYCHQ-CZUORRHYSA-N	-1	1	297.398	4.196	20	0		CIADMM
CCN(CC(C)(C)C)C(=O)c1cc2ccccc2cc1[O-]	ZINC000387459837	336194208	/nfs/dbraw/zinc/19/42/08/336194208.db2.gz	MTOZLJJIIVEBDK-UHFFFAOYSA-N	-1	1	285.387	4.054	20	0		CIADMM
CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1ccon1	ZINC000157507222	519787862	/nfs/dbraw/zinc/78/78/62/519787862.db2.gz	WWTUCPWNYFMLSS-UHFFFAOYSA-N	-1	1	296.779	4.081	20	0		CIADMM
[O-]c1ccc(-c2noc([C@@H]3CCCCS3)n2)c(Cl)c1	ZINC000278130159	526338098	/nfs/dbraw/zinc/33/80/98/526338098.db2.gz	KFJQWUFJCFZMQR-NSHDSACASA-N	-1	1	296.779	4.054	20	0		CIADMM
[O-]c1ccc(-c2noc([C@H]3CCCCS3)n2)c(Cl)c1	ZINC000278130158	526339416	/nfs/dbraw/zinc/33/94/16/526339416.db2.gz	KFJQWUFJCFZMQR-LLVKDONJSA-N	-1	1	296.779	4.054	20	0		CIADMM
Cc1occc1-c1noc(-c2ccc3ccccc3c2[O-])n1	ZINC000317468275	260231834	/nfs/dbraw/zinc/23/18/34/260231834.db2.gz	ZDUCYCJAYIRZFS-UHFFFAOYSA-N	-1	1	292.294	4.164	20	0		CIADMM
C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000319504767	262234809	/nfs/dbraw/zinc/23/48/09/262234809.db2.gz	BVUPYEMAFDOLEG-RDBSUJKOSA-N	-1	1	297.398	4.052	20	0		CIADMM
O=C(Nc1ccc(F)cc1F)c1cc2ccccc2cc1[O-]	ZINC000218301663	264300886	/nfs/dbraw/zinc/30/08/86/264300886.db2.gz	XBTBQVHQATXBMI-UHFFFAOYSA-N	-1	1	299.276	4.076	20	0		CIADMM
CN(C(=O)c1ccc(Cl)cc1[O-])C1CCC(C)(C)CC1	ZINC000094820035	265257751	/nfs/dbraw/zinc/25/77/51/265257751.db2.gz	PHLHIXXUGWOVEU-UHFFFAOYSA-N	-1	1	295.810	4.086	20	0		CIADMM
CC(C)CN(C(=O)c1cc2ccccc2cc1[O-])C(C)C	ZINC000047872968	327216298	/nfs/dbraw/zinc/21/62/98/327216298.db2.gz	JYAUDYMMVFJZKO-UHFFFAOYSA-N	-1	1	285.387	4.052	20	0		CIADMM
CC(C)[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000395763753	328759243	/nfs/dbraw/zinc/75/92/43/328759243.db2.gz	NJZHUTHXYBAIOU-QGZVFWFLSA-N	-1	1	297.398	4.196	20	0		CIADMM
CC(C)(C)/C=C\c1nc(-c2ccc([O-])cc2Cl)no1	ZINC000445448192	330367491	/nfs/dbraw/zinc/36/74/91/330367491.db2.gz	RBNRAOGDPLRLQT-SREVYHEPSA-N	-1	1	278.739	4.155	20	0		CIADMM
CCc1ccc(C(=O)N(CC)c2cccc(C)c2C)c([O-])c1	ZINC000436811017	330685622	/nfs/dbraw/zinc/68/56/22/330685622.db2.gz	UNVJUGUSNRFEOY-UHFFFAOYSA-N	-1	1	297.398	4.238	20	0		CIADMM
Cc1cc(NC(=O)c2ccc([O-])cc2F)cc(C)c1Cl	ZINC000443182049	330796139	/nfs/dbraw/zinc/79/61/39/330796139.db2.gz	UIWRXFJKEBHEOM-UHFFFAOYSA-N	-1	1	293.725	4.054	20	0		CIADMM
Cc1cccc([C@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)c1	ZINC000445481419	330829514	/nfs/dbraw/zinc/82/95/14/330829514.db2.gz	OUDPSXDBWJAGKI-NSHDSACASA-N	-1	1	298.317	4.042	20	0		CIADMM
C/C(=C/c1nc(-c2ccc([O-])c(F)c2)no1)C(C)(C)C	ZINC000445485922	330829791	/nfs/dbraw/zinc/82/97/91/330829791.db2.gz	GAYDZOYVJQIXFK-CLFYSBASSA-N	-1	1	276.311	4.031	20	0		CIADMM
CC(C)[C@@H](C)N(C(=O)c1cc2ccccc2cc1[O-])C1CC1	ZINC000195541192	331176740	/nfs/dbraw/zinc/17/67/40/331176740.db2.gz	KMWVKPBVILFFNB-CYBMUJFWSA-N	-1	1	297.398	4.195	20	0		CIADMM
CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(F)c2F)CC1	ZINC000456783920	331203719	/nfs/dbraw/zinc/20/37/19/331203719.db2.gz	MAMWLEJLCAWQOR-XYPYZODXSA-N	-1	1	297.345	4.071	20	0		CIADMM
CC(C)(C)CCCCC(=O)Nc1ccc([O-])c(F)c1F	ZINC000456790137	331204167	/nfs/dbraw/zinc/20/41/67/331204167.db2.gz	VQMUTGOKLGZWLT-UHFFFAOYSA-N	-1	1	285.334	4.215	20	0		CIADMM
CN(Cc1cccc([O-])c1Cl)c1ccc2cc[nH]c2c1	ZINC000513348004	332485409	/nfs/dbraw/zinc/48/54/09/332485409.db2.gz	PMHRJPNLPOWVEO-UHFFFAOYSA-N	-1	1	286.762	4.163	20	0		CIADMM
C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000543746024	333894409	/nfs/dbraw/zinc/89/44/09/333894409.db2.gz	RKJCFWZEEGODBT-GHMZBOCLSA-N	-1	1	281.783	4.201	20	0		CIADMM
C[C@H](CSc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1	ZINC000554943215	334461801	/nfs/dbraw/zinc/46/18/01/334461801.db2.gz	UBPJTDHRFUBSAV-SECBINFHSA-N	-1	1	296.342	4.016	20	0		CIADMM
Cc1cccc([C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)c1	ZINC000578700724	335664511	/nfs/dbraw/zinc/66/45/11/335664511.db2.gz	DZAGOORNPNNMQE-SECBINFHSA-N	-1	1	296.342	4.282	20	0		CIADMM
O=C(Nc1cccc(F)c1F)c1cc2ccccc2cc1[O-]	ZINC000385914004	336161198	/nfs/dbraw/zinc/16/11/98/336161198.db2.gz	AOIYRIYTVMVZCS-UHFFFAOYSA-N	-1	1	299.276	4.076	20	0		CIADMM
CC[C@@H](NCc1cccc([O-])c1Cl)c1nc(C)cs1	ZINC000293438868	522882649	/nfs/dbraw/zinc/88/26/49/522882649.db2.gz	BUBJPEOVYFEREQ-LLVKDONJSA-N	-1	1	296.823	4.051	20	0		CIADMM
O=C(Nc1ccc([O-])c(Cl)c1)c1coc2ccccc12	ZINC000070333805	260156677	/nfs/dbraw/zinc/15/66/77/260156677.db2.gz	HCOCLFWMGODTKJ-UHFFFAOYSA-N	-1	1	287.702	4.044	20	0		CIADMM
C[C@H](CCC(C)(C)C)C(=O)Nc1ccc([O-])c(F)c1F	ZINC000456775813	264335421	/nfs/dbraw/zinc/33/54/21/264335421.db2.gz	DOZSGBOCTYWKNI-SECBINFHSA-N	-1	1	285.334	4.071	20	0		CIADMM
CC(C)(C)[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000388759844	328300574	/nfs/dbraw/zinc/30/05/74/328300574.db2.gz	KOMJIPPFFZYVPF-AWEZNQCLSA-N	-1	1	297.398	4.054	20	0		CIADMM
CC(C)(C)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000388759848	328300642	/nfs/dbraw/zinc/30/06/42/328300642.db2.gz	KOMJIPPFFZYVPF-CQSZACIVSA-N	-1	1	297.398	4.054	20	0		CIADMM
[O-]c1c(-c2nc(-c3cccs3)no2)ccc2ccccc21	ZINC000111687211	328374588	/nfs/dbraw/zinc/37/45/88/328374588.db2.gz	PLFQQNDRCAEYOL-UHFFFAOYSA-N	-1	1	294.335	4.324	20	0		CIADMM
CCc1cc(=O)[n-]c(SC[C@@H](C)C2CCCCC2)n1	ZINC000558852082	327127038	/nfs/dbraw/zinc/12/70/38/327127038.db2.gz	BXGQNTKAJCEGMC-LLVKDONJSA-N	-1	1	280.437	4.053	20	0		CIADMM
CCc1cc(C(=O)Nc2ccc(Cl)cc2[O-])oc1CC	ZINC000532838642	328813000	/nfs/dbraw/zinc/81/30/00/328813000.db2.gz	ZGZXUTONTPGSGT-UHFFFAOYSA-N	-1	1	293.750	4.016	20	0		CIADMM
CC(C)CC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1	ZINC000509162858	332860495	/nfs/dbraw/zinc/86/04/95/332860495.db2.gz	DPOPUQDGMRMSKO-UHFFFAOYSA-N	-1	1	281.783	4.201	20	0		CIADMM
CC1CCC(N(C)C(=O)c2ccc3ccccc3c2[O-])CC1	ZINC000314850824	330464599	/nfs/dbraw/zinc/46/45/99/330464599.db2.gz	WVDRKPACKMMIJQ-UHFFFAOYSA-N	-1	1	297.398	4.196	20	0		CIADMM
C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](C)C1	ZINC000436514476	330678927	/nfs/dbraw/zinc/67/89/27/330678927.db2.gz	OTHHUJMPBLKOEM-UONOGXRCSA-N	-1	1	297.398	4.054	20	0		CIADMM
C[C@@H]1CC=CC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1	ZINC000436871460	330687238	/nfs/dbraw/zinc/68/72/38/330687238.db2.gz	TUZNCOIRUYCLGH-MWLCHTKSSA-N	-1	1	290.750	4.165	20	0		CIADMM
CCC[C@H](CC(C)C)C(=O)Nc1ccc([O-])c(F)c1F	ZINC000456776676	331202899	/nfs/dbraw/zinc/20/28/99/331202899.db2.gz	DXFXCDSOXBDNHS-SNVBAGLBSA-N	-1	1	285.334	4.071	20	0		CIADMM
CC(C)CC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCC1	ZINC000456791334	331204103	/nfs/dbraw/zinc/20/41/03/331204103.db2.gz	YAWSKINEEUNAHZ-UHFFFAOYSA-N	-1	1	297.345	4.215	20	0		CIADMM
C[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)C1CCCCC1	ZINC000456794491	331204245	/nfs/dbraw/zinc/20/42/45/331204245.db2.gz	QOZVZHWVCHUQNF-SNVBAGLBSA-N	-1	1	297.345	4.215	20	0		CIADMM
CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000476449118	331664289	/nfs/dbraw/zinc/66/42/89/331664289.db2.gz	OACPFQQEBFGEHM-PWSUYJOCSA-N	-1	1	281.783	4.201	20	0		CIADMM
C[C@H]1CC(C(=O)Nc2ccc([O-])c(Cl)c2)C[C@H](C)C1	ZINC000502919412	332676371	/nfs/dbraw/zinc/67/63/71/332676371.db2.gz	OTJQNHQYBJUGAM-NXEZZACHSA-N	-1	1	281.783	4.056	20	0		CIADMM
Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1	ZINC000190906800	333212088	/nfs/dbraw/zinc/21/20/88/333212088.db2.gz	JXRDLPZVQHJLJU-UHFFFAOYSA-N	-1	1	290.750	4.306	20	0		CIADMM
Cc1cc(F)ccc1NC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000190922551	333212444	/nfs/dbraw/zinc/21/24/44/333212444.db2.gz	PJXGXFSITIYHDW-UHFFFAOYSA-N	-1	1	294.713	4.137	20	0		CIADMM
Cc1ccc(F)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1	ZINC000190920563	333212451	/nfs/dbraw/zinc/21/24/51/333212451.db2.gz	PBYMAJDQIRORNZ-UHFFFAOYSA-N	-1	1	294.713	4.137	20	0		CIADMM
Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1F	ZINC000192253785	333233712	/nfs/dbraw/zinc/23/37/12/333233712.db2.gz	LDFMYPMHLLOWCJ-UHFFFAOYSA-N	-1	1	294.713	4.137	20	0		CIADMM
CCN(C(=O)c1ccc2ccccc2c1[O-])[C@@H](C)C(C)C	ZINC000553063426	334359617	/nfs/dbraw/zinc/35/96/17/334359617.db2.gz	SNWGGBDVKWNPSP-ZDUSSCGKSA-N	-1	1	285.387	4.052	20	0		CIADMM
CCN(C(=O)c1cc2ccccc2cc1[O-])[C@H](C)C(C)C	ZINC000553404386	334382967	/nfs/dbraw/zinc/38/29/67/334382967.db2.gz	ZJBMJAIVEMSNPE-CYBMUJFWSA-N	-1	1	285.387	4.052	20	0		CIADMM
Cc1cc(F)ccc1NCc1cccc([O-])c1Cl	ZINC000385795792	336156837	/nfs/dbraw/zinc/15/68/37/336156837.db2.gz	KYCOEMASDXGIHL-UHFFFAOYSA-N	-1	1	265.715	4.105	20	0		CIADMM
C[C@@H]1CCC[C@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000386043986	336165331	/nfs/dbraw/zinc/16/53/31/336165331.db2.gz	YFZUCXGGQAYCHQ-CJNGLKHVSA-N	-1	1	297.398	4.196	20	0		CIADMM
CC[C@H](NCc1cccc([O-])c1Cl)c1nc(C)cs1	ZINC000293438872	522656529	/nfs/dbraw/zinc/65/65/29/522656529.db2.gz	BUBJPEOVYFEREQ-NSHDSACASA-N	-1	1	296.823	4.051	20	0		CIADMM
CCN(C(=O)c1ccc2ccccc2c1[O-])C1CCCCC1	ZINC000020260314	171116910	/nfs/dbraw/zinc/11/69/10/171116910.db2.gz	UYUQVRBDRZEGKC-UHFFFAOYSA-N	-1	1	297.398	4.340	20	0		CIADMM
Cn1c(-c2ccc([O-])c(Cl)c2)nc2cccc(Cl)c21	ZINC000037444488	173212275	/nfs/dbraw/zinc/21/22/75/173212275.db2.gz	YQXMTOIEPMUVNW-UHFFFAOYSA-N	-1	1	293.153	4.253	20	0		CIADMM
C[C@@H](NCc1cccc([O-])c1Cl)c1ccc(F)cc1F	ZINC000394255858	260245599	/nfs/dbraw/zinc/24/55/99/260245599.db2.gz	XEWOKYZWIQZWHW-SECBINFHSA-N	-1	1	297.732	4.175	20	0		CIADMM
C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000319504765	262235037	/nfs/dbraw/zinc/23/50/37/262235037.db2.gz	BVUPYEMAFDOLEG-MCIONIFRSA-N	-1	1	297.398	4.052	20	0		CIADMM
CCCCN(CCCC)C(=O)c1ccc(Cl)cc1[O-]	ZINC000020304338	262245173	/nfs/dbraw/zinc/24/51/73/262245173.db2.gz	RDYSEYUDPUWWLA-UHFFFAOYSA-N	-1	1	283.799	4.088	20	0		CIADMM
C[C@@H]1C[C@@H]1c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)o1	ZINC000360777759	266742488	/nfs/dbraw/zinc/74/24/88/266742488.db2.gz	OVMFFIFDWDKAFN-SCZZXKLOSA-N	-1	1	291.734	4.014	20	0		CIADMM
C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1cc2ccccc2o1	ZINC000531756331	328029590	/nfs/dbraw/zinc/02/95/90/328029590.db2.gz	OFBCRLREJKYOFY-SNVBAGLBSA-N	-1	1	299.301	4.020	20	0		CIADMM
CC[C@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccccc1	ZINC000531755997	328030639	/nfs/dbraw/zinc/03/06/39/328030639.db2.gz	ZYICAJZPHQGJQJ-GFCCVEGCSA-N	-1	1	287.334	4.054	20	0		CIADMM
O=c1cc(C2CC2)nc(SCc2sccc2Cl)[n-]1	ZINC000506430572	332772715	/nfs/dbraw/zinc/77/27/15/332772715.db2.gz	CPCNUVUXVJFJRA-UHFFFAOYSA-N	-1	1	298.820	4.067	20	0		CIADMM
[O-]c1ccc(-c2noc([C@H]3CC34CCCC4)n2)c(Cl)c1	ZINC000518474100	327166077	/nfs/dbraw/zinc/16/60/77/327166077.db2.gz	REHPZCPTFXQVBM-LLVKDONJSA-N	-1	1	290.750	4.143	20	0		CIADMM
C[C@@H](CC1CCCC1)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000509168649	332860746	/nfs/dbraw/zinc/86/07/46/332860746.db2.gz	GXJAVDUPPRLQKF-JTQLQIEISA-N	-1	1	281.783	4.201	20	0		CIADMM
C/C(=C/c1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1	ZINC000445477430	330202709	/nfs/dbraw/zinc/20/27/09/330202709.db2.gz	OBELVYUDTRDWSE-LUAWRHEFSA-N	-1	1	296.301	4.142	20	0		CIADMM
CC(C)C[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000396784870	330225707	/nfs/dbraw/zinc/22/57/07/330225707.db2.gz	PWCYMOFQNIVZGR-OAHLLOKOSA-N	-1	1	297.398	4.196	20	0		CIADMM
[O-]c1ccc(-c2noc(C3CCCCC3)n2)c(Cl)c1	ZINC000445446921	330362749	/nfs/dbraw/zinc/36/27/49/330362749.db2.gz	QHQSKILMWYIHAM-UHFFFAOYSA-N	-1	1	278.739	4.143	20	0		CIADMM
C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000314850641	330464682	/nfs/dbraw/zinc/46/46/82/330464682.db2.gz	WSYOHSNCVRGRHX-UKRRQHHQSA-N	-1	1	297.398	4.196	20	0		CIADMM
Cc1c(=O)[n-]c(S[C@@H](C)C(C)C)nc1-c1ccccc1	ZINC000430160803	330562777	/nfs/dbraw/zinc/56/27/77/330562777.db2.gz	GTCMHTGOILUGLU-LBPRGKRZSA-N	-1	1	288.416	4.294	20	0		CIADMM
[O-]c1ccc(/C=C/c2nc3ccccc3s2)cc1F	ZINC000436531588	330679296	/nfs/dbraw/zinc/67/92/96/330679296.db2.gz	FLOJJZSUYPAHIA-SOFGYWHQSA-N	-1	1	271.316	4.311	20	0		CIADMM
CC(C)C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000436585426	330680816	/nfs/dbraw/zinc/68/08/16/330680816.db2.gz	JOXLDZHYFMORNW-CYBMUJFWSA-N	-1	1	295.810	4.086	20	0		CIADMM
CCN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCCC[C@@H]1C	ZINC000436750294	330684199	/nfs/dbraw/zinc/68/41/99/330684199.db2.gz	MUXYBPLNISCGHC-SMDDNHRTSA-N	-1	1	295.810	4.086	20	0		CIADMM
CC(C)[C@H]1N(C(=O)c2ccc3ccccc3c2[O-])CC1(C)C	ZINC000437003152	330690770	/nfs/dbraw/zinc/69/07/70/330690770.db2.gz	JKERXVHLJSPQKQ-QGZVFWFLSA-N	-1	1	297.398	4.052	20	0		CIADMM
CCCC[C@H](CC)CC(=O)Nc1ccc([O-])c(F)c1F	ZINC000456781901	331203589	/nfs/dbraw/zinc/20/35/89/331203589.db2.gz	KAXYWLSCQJOXSR-JTQLQIEISA-N	-1	1	285.334	4.215	20	0		CIADMM
CC(C)C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000307768410	333015939	/nfs/dbraw/zinc/01/59/39/333015939.db2.gz	BLWQDJAFROYXAY-AWEZNQCLSA-N	-1	1	297.398	4.054	20	0		CIADMM
CCn1c2ccccc2nc1-c1ccc([O-])c(Cl)c1	ZINC000037323733	333532198	/nfs/dbraw/zinc/53/21/98/333532198.db2.gz	PGOAMPFGMGPEPU-UHFFFAOYSA-N	-1	1	272.735	4.082	20	0		CIADMM
CC(C)c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1	ZINC000546257736	334023190	/nfs/dbraw/zinc/02/31/90/334023190.db2.gz	HADVAQOFIOZMNK-UHFFFAOYSA-N	-1	1	296.326	4.358	20	0		CIADMM
O=C(Nc1ccc([O-])c(Cl)c1)c1cc2ccccc2o1	ZINC000082192623	334223647	/nfs/dbraw/zinc/22/36/47/334223647.db2.gz	VDMDLVIDAOZINR-UHFFFAOYSA-N	-1	1	287.702	4.044	20	0		CIADMM
CCN(C(=O)c1ccc2ccccc2c1[O-])[C@H](C)C(C)C	ZINC000553063425	334359585	/nfs/dbraw/zinc/35/95/85/334359585.db2.gz	SNWGGBDVKWNPSP-CYBMUJFWSA-N	-1	1	285.387	4.052	20	0		CIADMM
COc1ccc(Cl)c(NCc2cccc([O-])c2Cl)c1	ZINC000381423855	336062534	/nfs/dbraw/zinc/06/25/34/336062534.db2.gz	SOAPJSQKYBOZBJ-UHFFFAOYSA-N	-1	1	298.169	4.320	20	0		CIADMM
CCOc1cc(C)ccc1NCc1cccc([O-])c1Cl	ZINC000381430457	336063033	/nfs/dbraw/zinc/06/30/33/336063033.db2.gz	UQBSTGYKIPDPOP-UHFFFAOYSA-N	-1	1	291.778	4.365	20	0		CIADMM
C[C@H]1CCC[C@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000386043983	336165237	/nfs/dbraw/zinc/16/52/37/336165237.db2.gz	YFZUCXGGQAYCHQ-BBRMVZONSA-N	-1	1	297.398	4.196	20	0		CIADMM
Cc1cccc(C)c1NC(=O)c1cc2ccccc2cc1[O-]	ZINC000095829318	185028886	/nfs/dbraw/zinc/02/88/86/185028886.db2.gz	CEMCCSHSPXMHDC-UHFFFAOYSA-N	-1	1	291.350	4.415	20	0		CIADMM
CCc1nc(S[C@H](CC)c2ccccc2)[n-]c(=O)c1C	ZINC000517759103	260232793	/nfs/dbraw/zinc/23/27/93/260232793.db2.gz	ILFXCFPYLYKEPS-CQSZACIVSA-N	-1	1	288.416	4.296	20	0		CIADMM
C[C@H](NCc1cccc([O-])c1Cl)c1ccc(F)cc1F	ZINC000394255862	260245551	/nfs/dbraw/zinc/24/55/51/260245551.db2.gz	XEWOKYZWIQZWHW-VIFPVBQESA-N	-1	1	297.732	4.175	20	0		CIADMM
CCOc1cc(F)ccc1NCc1cccc([O-])c1Cl	ZINC000380835552	327880465	/nfs/dbraw/zinc/88/04/65/327880465.db2.gz	LUKKYZKVRBIYBI-UHFFFAOYSA-N	-1	1	295.741	4.196	20	0		CIADMM
C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1cc2ccccc2o1	ZINC000531756330	328029441	/nfs/dbraw/zinc/02/94/41/328029441.db2.gz	OFBCRLREJKYOFY-JTQLQIEISA-N	-1	1	299.301	4.020	20	0		CIADMM
CCC[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000387588640	327374939	/nfs/dbraw/zinc/37/49/39/327374939.db2.gz	OBLKWQHGKLVFFG-HNNXBMFYSA-N	-1	1	297.398	4.340	20	0		CIADMM
CC[C@@H](Sc1ncc(C)c(=O)[n-]1)c1ccc(Cl)cc1	ZINC000574824363	327383732	/nfs/dbraw/zinc/38/37/32/327383732.db2.gz	UFFDQFNXGPJMBA-GFCCVEGCSA-N	-1	1	294.807	4.387	20	0		CIADMM
CC(C)c1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1	ZINC000507922240	332829805	/nfs/dbraw/zinc/82/98/05/332829805.db2.gz	ZUNLNSLVRRMQOF-UHFFFAOYSA-N	-1	1	291.297	4.046	20	0		CIADMM
Cc1cc(C)c([C@@H](C)Sc2ncc(C)c(=O)[n-]2)c(C)c1	ZINC000572424779	330067837	/nfs/dbraw/zinc/06/78/37/330067837.db2.gz	SOWJZUSYCKTYDO-CYBMUJFWSA-N	-1	1	288.416	4.269	20	0		CIADMM
Cc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)s1	ZINC000445449857	330444528	/nfs/dbraw/zinc/44/45/28/330444528.db2.gz	PYVIISLXNWTGRK-UHFFFAOYSA-N	-1	1	292.747	4.133	20	0		CIADMM
CC(C)(C)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000436571532	330680479	/nfs/dbraw/zinc/68/04/79/330680479.db2.gz	VXZDWANKTYNEEL-MRXNPFEDSA-N	-1	1	297.398	4.196	20	0		CIADMM
CC1=C(C(=O)Nc2ccc([O-])c(F)c2F)CCC(C)(C)C1	ZINC000456792064	331204146	/nfs/dbraw/zinc/20/41/46/331204146.db2.gz	ZTCKKYMVKVAPEW-UHFFFAOYSA-N	-1	1	295.329	4.136	20	0		CIADMM
C[C@H](CC1CCCCC1)C(=O)Nc1ccc([O-])c(F)c1F	ZINC000456791568	331204170	/nfs/dbraw/zinc/20/41/70/331204170.db2.gz	YPPKXIZAULMLNH-SNVBAGLBSA-N	-1	1	297.345	4.215	20	0		CIADMM
C[C@H]1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C[C@@H](C)C1	ZINC000502919413	332676460	/nfs/dbraw/zinc/67/64/60/332676460.db2.gz	OTJQNHQYBJUGAM-URLYPYJESA-N	-1	1	281.783	4.056	20	0		CIADMM
Cc1ccc(NCc2cccc([O-])c2Cl)cc1C	ZINC000393349771	333179171	/nfs/dbraw/zinc/17/91/71/333179171.db2.gz	ILQXBZIFBTZKOR-UHFFFAOYSA-N	-1	1	261.752	4.275	20	0		CIADMM
Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1F	ZINC000190918133	333212280	/nfs/dbraw/zinc/21/22/80/333212280.db2.gz	LBWWOJYQGDXISM-UHFFFAOYSA-N	-1	1	294.713	4.137	20	0		CIADMM
CCc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000190922215	333212416	/nfs/dbraw/zinc/21/24/16/333212416.db2.gz	MTEOGQPKRNWBSK-UHFFFAOYSA-N	-1	1	290.750	4.252	20	0		CIADMM
Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(F)c1	ZINC000190919006	333212423	/nfs/dbraw/zinc/21/24/23/333212423.db2.gz	BSEIPQFUSANXLJ-UHFFFAOYSA-N	-1	1	294.713	4.137	20	0		CIADMM
Cc1ccc(C)c(NCc2cccc([O-])c2Cl)c1	ZINC000328309454	333514832	/nfs/dbraw/zinc/51/48/32/333514832.db2.gz	FTRLYZAHWHLOCZ-UHFFFAOYSA-N	-1	1	261.752	4.275	20	0		CIADMM
O=C(CC1CCCCCC1)Nc1ccc([O-])c(Cl)c1	ZINC000135831735	334139356	/nfs/dbraw/zinc/13/93/56/334139356.db2.gz	ZAZGIXBQOIESTK-UHFFFAOYSA-N	-1	1	281.783	4.345	20	0		CIADMM
Cc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)cc1C	ZINC000576552825	335218199	/nfs/dbraw/zinc/21/81/99/335218199.db2.gz	ITMUJJFTRNGMFM-UHFFFAOYSA-N	-1	1	296.342	4.029	20	0		CIADMM
[O-]c1cccc(CNc2ccc3c(c2)CCC3)c1Cl	ZINC000381436896	336063556	/nfs/dbraw/zinc/06/35/56/336063556.db2.gz	VUNUVRCMKBLRMY-UHFFFAOYSA-N	-1	1	273.763	4.146	20	0		CIADMM
CCCC[C@@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-]	ZINC000386500995	336175861	/nfs/dbraw/zinc/17/58/61/336175861.db2.gz	ANQDKXWCIDNJKG-CYBMUJFWSA-N	-1	1	285.387	4.196	20	0		CIADMM
CCc1ccnc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)c1	ZINC000479177419	517855230	/nfs/dbraw/zinc/85/52/30/517855230.db2.gz	LOFVMONBHXZAPM-UHFFFAOYSA-N	-1	1	293.370	4.083	20	0		CIADMM
CC[C@H](C)n1ncc(NCc2cccc([O-])c2Cl)c1C	ZINC000339372215	522081944	/nfs/dbraw/zinc/08/19/44/522081944.db2.gz	XSQVDSCHILYNIR-JTQLQIEISA-N	-1	1	293.798	4.134	20	0		CIADMM
C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000389697477	328949765	/nfs/dbraw/zinc/94/97/65/328949765.db2.gz	BPTQJFIWCKYLDA-MCIONIFRSA-N	-1	1	297.398	4.052	20	0		CIADMM
C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000389697483	328949792	/nfs/dbraw/zinc/94/97/92/328949792.db2.gz	BPTQJFIWCKYLDA-MGPQQGTHSA-N	-1	1	297.398	4.052	20	0		CIADMM
CC[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3c2[O-])C1	ZINC000436575140	330680385	/nfs/dbraw/zinc/68/03/85/330680385.db2.gz	NPIGVTLVTPKLFM-IBGZPJMESA-N	-1	1	297.398	4.198	20	0		CIADMM
Cc1ccccc1[C@@H](C)c1noc(-c2ccc([O-])cc2F)n1	ZINC000436685274	330682692	/nfs/dbraw/zinc/68/26/92/330682692.db2.gz	BFWQIQBLRDFOCO-LLVKDONJSA-N	-1	1	298.317	4.042	20	0		CIADMM
CC(C)c1ccc(C(=O)N2CCCc3ccccc32)c([O-])c1	ZINC000436756118	330684393	/nfs/dbraw/zinc/68/43/93/330684393.db2.gz	PEGNTZGNMOCXEX-UHFFFAOYSA-N	-1	1	295.382	4.109	20	0		CIADMM
CC(C)[C@]1(C)C[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1	ZINC000436875981	330687189	/nfs/dbraw/zinc/68/71/89/330687189.db2.gz	ZNINHHPXXQLKDR-ABAIWWIYSA-N	-1	1	292.766	4.245	20	0		CIADMM
[O-]c1ccc(-c2noc(C3CCCCCC3)n2)cc1F	ZINC000445477689	330829506	/nfs/dbraw/zinc/82/95/06/330829506.db2.gz	OWAKVWLYLFRGOV-UHFFFAOYSA-N	-1	1	276.311	4.019	20	0		CIADMM
C/C(=C\c1nc(-c2ccc([O-])c(F)c2)no1)C(C)(C)C	ZINC000445485923	330829772	/nfs/dbraw/zinc/82/97/72/330829772.db2.gz	GAYDZOYVJQIXFK-VQHVLOKHSA-N	-1	1	276.311	4.031	20	0		CIADMM
Cc1cccc(C)c1NC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000140416405	334278577	/nfs/dbraw/zinc/27/85/77/334278577.db2.gz	OGAGZLHXCBMTNA-UHFFFAOYSA-N	-1	1	290.750	4.306	20	0		CIADMM
CC(C)CC(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000182875409	333118083	/nfs/dbraw/zinc/11/80/83/333118083.db2.gz	HMYNQMGICDQZSS-UHFFFAOYSA-N	-1	1	269.772	4.056	20	0		CIADMM
Cc1c(F)cccc1NC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000190972665	333212819	/nfs/dbraw/zinc/21/28/19/333212819.db2.gz	GNLNEESMROPKNB-UHFFFAOYSA-N	-1	1	294.713	4.137	20	0		CIADMM
Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1F	ZINC000190961469	333212866	/nfs/dbraw/zinc/21/28/66/333212866.db2.gz	DTRDXCOIEGYMDE-UHFFFAOYSA-N	-1	1	294.713	4.137	20	0		CIADMM
[O-]c1cccc(CNc2cccc3ncccc32)c1Cl	ZINC000393377755	333299253	/nfs/dbraw/zinc/29/92/53/333299253.db2.gz	MQKVIFQGRSXBLL-UHFFFAOYSA-N	-1	1	284.746	4.206	20	0		CIADMM
CCC1(C)CCN(C(=O)c2cc3ccccc3cc2[O-])CC1	ZINC000315970014	333384931	/nfs/dbraw/zinc/38/49/31/333384931.db2.gz	YKOWIEUBPYQUTC-UHFFFAOYSA-N	-1	1	297.398	4.198	20	0		CIADMM
O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(Cl)s1	ZINC000082192820	334223556	/nfs/dbraw/zinc/22/35/56/334223556.db2.gz	KKDAJVGUGCZGPB-UHFFFAOYSA-N	-1	1	288.155	4.013	20	0		CIADMM
[O-]c1cccc(CNc2ccc3ncsc3c2)c1Cl	ZINC000381065758	336047992	/nfs/dbraw/zinc/04/79/92/336047992.db2.gz	ORVBYIOQXWMNRL-UHFFFAOYSA-N	-1	1	290.775	4.267	20	0		CIADMM
Cc1cscc1NC(=O)c1cc2ccccc2cc1[O-]	ZINC000387276587	336190890	/nfs/dbraw/zinc/19/08/90/336190890.db2.gz	FGBACEOKEQDZSM-UHFFFAOYSA-N	-1	1	283.352	4.168	20	0		CIADMM
CC[C@@H](C)n1ncc(NCc2cccc([O-])c2Cl)c1C	ZINC000339372217	522462713	/nfs/dbraw/zinc/46/27/13/522462713.db2.gz	XSQVDSCHILYNIR-SNVBAGLBSA-N	-1	1	293.798	4.134	20	0		CIADMM