smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccccc1	ZINC000004639076	181131377	/nfs/dbraw/zinc/13/13/77/181131377.db2.gz	BXNVWSWKZAHPTE-UHFFFAOYSA-N	-1	0	310.378	4.560	40	0		DJABRM
O=C([O-])/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	ZINC000005175408	181213159	/nfs/dbraw/zinc/21/31/59/181213159.db2.gz	CYIHQACUXHFDBB-RMKNXTFCSA-N	-1	0	323.175	4.670	40	0		DJABRM
Cc1ccc(-n2nc(C(=O)[O-])cc2-c2ccc(C(C)C)cc2)cc1	ZINC000005601360	181262205	/nfs/dbraw/zinc/26/22/05/181262205.db2.gz	REEPFZJAUHSOIL-UHFFFAOYSA-N	-1	0	320.392	4.669	40	0		DJABRM
CCCCN1c2cc(Cl)c(C(=O)[O-])cc2C(C)=CC1(C)C	ZINC000223794280	201656199	/nfs/dbraw/zinc/65/61/99/201656199.db2.gz	QCWYTFSRVAJKNX-UHFFFAOYSA-N	-1	0	307.821	4.840	40	0		DJABRM
Cc1cc(C)cc(O[C@H](Cc2cccc3ccccc32)C(=O)[O-])c1	ZINC000225048448	201683819	/nfs/dbraw/zinc/68/38/19/201683819.db2.gz	SLGZEPNVCFFBAM-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
O=C([O-])c1cccc(-c2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000026543919	182445303	/nfs/dbraw/zinc/44/53/03/182445303.db2.gz	VSQXJAQDHCHJPP-UHFFFAOYSA-N	-1	0	300.663	4.724	40	0		DJABRM
Clc1ccc2oc([N-]c3nc4ccccc4s3)nc2c1	ZINC000057352514	184034897	/nfs/dbraw/zinc/03/48/97/184034897.db2.gz	FEIWDZMHHUCEDR-UHFFFAOYSA-N	-1	0	301.758	4.835	40	0		DJABRM
CC(C)(C)c1ccc(-c2cc(C3(C(=O)[O-])CCCC3)no2)cc1	ZINC000072220617	257124492	/nfs/dbraw/zinc/12/44/92/257124492.db2.gz	JFLCRKKYWNVCJU-UHFFFAOYSA-N	-1	0	313.397	4.536	40	0		DJABRM
O=C([O-])[C@@H](c1ccccc1)[C@H](Cc1ccccc1)c1ccccc1	ZINC000001621947	563288142	/nfs/dbraw/zinc/28/81/42/563288142.db2.gz	PAIMKQZXMVKNGS-RTWAWAEBSA-N	-1	0	316.400	4.881	40	0		DJABRM
[O-]c1c(Cl)cc(Cc2cc(Cl)ccc2O)cc1Cl	ZINC000001760448	563295205	/nfs/dbraw/zinc/29/52/05/563295205.db2.gz	GCDWWRMUEWTFHQ-UHFFFAOYSA-N	-1	0	303.572	4.649	40	0		DJABRM
CC/C=C/C[C@H](O)/C=C/C=C/C/C=C/C/C=C/CCCC(=O)[O-]	ZINC000033838758	563446249	/nfs/dbraw/zinc/44/62/49/563446249.db2.gz	WLKCSMCLEKGITB-MULDSCIVSA-N	-1	0	318.457	4.964	40	0		DJABRM
Cc1cc(Nc2ccccc2C(=O)[O-])c2cc(Cl)ccc2n1	ZINC000078401639	563513515	/nfs/dbraw/zinc/51/35/15/563513515.db2.gz	YYVLZXVBXXBHBR-UHFFFAOYSA-N	-1	0	312.756	4.638	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2cc(C)ccc2[C@@H](C)CC1(C)C	ZINC000223224125	563732402	/nfs/dbraw/zinc/73/24/02/563732402.db2.gz	DPBMGAGSUAANJM-HOCLYGCPSA-N	-1	0	303.446	4.731	40	0		DJABRM
Cc1ccc(C[C@H](Oc2cccc3ccccc32)C(=O)[O-])c(C)c1	ZINC000225026497	563746649	/nfs/dbraw/zinc/74/66/49/563746649.db2.gz	CECWVCHPTLVHBL-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1c(Cl)ccc2c(Nc3ccc(C(=O)[O-])cc3)ccnc12	ZINC000045928665	563888363	/nfs/dbraw/zinc/88/83/63/563888363.db2.gz	DXJQDXQCLHSVRH-UHFFFAOYSA-N	-1	0	312.756	4.638	40	0		DJABRM
CC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)O1	ZINC000003058474	563941724	/nfs/dbraw/zinc/94/17/24/563941724.db2.gz	FURAOIUBEMAMNE-IAGOWNOFSA-N	-1	0	314.768	4.554	40	0		DJABRM
CC/C=C/C/C=C/C[C@H](O)/C=C/C=C\C/C=C/CCCC(=O)[O-]	ZINC000150373571	186056682	/nfs/dbraw/zinc/05/66/82/186056682.db2.gz	MCRJLMXYVFDXLS-LHBWWMSJSA-N	-1	0	318.457	4.964	40	0		DJABRM
C[C@H](CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)CC(=O)[O-]	ZINC000003846933	181049166	/nfs/dbraw/zinc/04/91/66/181049166.db2.gz	KHCCSRVJJDOANA-VQEGESQYSA-N	-1	0	324.505	4.871	40	0	biogenic	DJABRM
O=C([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2	ZINC000003906219	181055597	/nfs/dbraw/zinc/05/55/97/181055597.db2.gz	PEIGAFLQZLAFNK-VCCNMJPESA-N	-1	0	319.404	4.681	40	0		DJABRM
O=C([O-])c1ccccc1C1c2ccccc2Oc2ccccc21	ZINC000003953926	181058643	/nfs/dbraw/zinc/05/86/43/181058643.db2.gz	YGCDXTJHFGXNKJ-UHFFFAOYSA-N	-1	0	302.329	4.671	40	0	in-vitro	DJABRM
CCCCCCC(=O)CCC(=O)CCCCCCCC(=O)[O-]	ZINC000004727003	181143187	/nfs/dbraw/zinc/14/31/87/181143187.db2.gz	XZWUJWRGRUQXOC-UHFFFAOYSA-N	-1	0	312.450	4.691	40	0		DJABRM
O=C([O-])c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1	ZINC000073635312	191334119	/nfs/dbraw/zinc/33/41/19/191334119.db2.gz	VEIQFODQDUXANZ-UHFFFAOYSA-N	-1	0	324.188	4.968	40	0		DJABRM
C[C@@H](c1ccccc1)C(C(=O)[O-])(c1ccccc1)c1ccccc1	ZINC000005763363	181281434	/nfs/dbraw/zinc/28/14/34/181281434.db2.gz	YZHQTGBTKACGSZ-KRWDZBQOSA-N	-1	0	316.400	4.861	40	0		DJABRM
Cc1cc(C)cc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])c1	ZINC000225037931	201683727	/nfs/dbraw/zinc/68/37/27/201683727.db2.gz	GIDVCZNUQTZBLZ-MRXNPFEDSA-N	-1	0	320.841	4.745	40	0		DJABRM
O=C([O-])c1ccc(N(Cc2ccccc2)c2ccccc2)s1	ZINC000016479682	182046621	/nfs/dbraw/zinc/04/66/21/182046621.db2.gz	CFJWVGIKOVDBKV-UHFFFAOYSA-N	-1	0	309.390	4.785	40	0		DJABRM
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C([O-])c1cccc2ccccc21	ZINC000024716970	182388907	/nfs/dbraw/zinc/38/89/07/182388907.db2.gz	RQYSFOKBYGSJJV-XGHQBKJUSA-N	-1	0	306.405	4.664	40	0		DJABRM
COc1cccc(/C=C/c2cccc3ccccc23)c1C(=O)[O-]	ZINC000035973621	182790988	/nfs/dbraw/zinc/79/09/88/182790988.db2.gz	YJUGQBLUXONEJP-OUKQBFOZSA-N	-1	0	304.345	4.717	40	0		DJABRM
CCCCc1ccc(-c2cc(C3(C(=O)[O-])CCCC3)no2)cc1	ZINC000072220619	257123937	/nfs/dbraw/zinc/12/39/37/257123937.db2.gz	QXGVMGDHTLZZRD-UHFFFAOYSA-N	-1	0	313.397	4.581	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2cc(C)ccc2[C@H](C)CC1(C)C	ZINC000260613209	333425094	/nfs/dbraw/zinc/42/50/94/333425094.db2.gz	DPBMGAGSUAANJM-ZBFHGGJFSA-N	-1	0	303.446	4.731	40	0		DJABRM
O=C([O-])c1ccccc1-c1ccc(C(F)(F)F)c(Cl)c1	ZINC000002540219	563868702	/nfs/dbraw/zinc/86/87/02/563868702.db2.gz	BFBPEAMTGIGDID-UHFFFAOYSA-N	-1	0	300.663	4.724	40	0		DJABRM
O=C([O-])[C@@H](c1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1	ZINC000001621946	563288091	/nfs/dbraw/zinc/28/80/91/563288091.db2.gz	PAIMKQZXMVKNGS-SFTDATJTSA-N	-1	0	316.400	4.881	40	0		DJABRM
CC(C)(C)CCCC(CCCC(C)(C)C)(C(=O)[O-])C(=O)O	ZINC000001648388	563289355	/nfs/dbraw/zinc/28/93/55/563289355.db2.gz	XVDMTKFMCVLCSU-UHFFFAOYSA-N	-1	0	300.439	4.575	40	0		DJABRM
CC/C=C/C/C=C/C=C/[C@H](O)C/C=C/C/C=C/CCCC(=O)[O-]	ZINC000098044872	563543926	/nfs/dbraw/zinc/54/39/26/563543926.db2.gz	IDEHSDHMEMMYIR-URYJIXTDSA-N	-1	0	318.457	4.964	40	0		DJABRM
CCc1ccccc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225041348	563746682	/nfs/dbraw/zinc/74/66/82/563746682.db2.gz	XYDTZAIUTOIUJZ-MRXNPFEDSA-N	-1	0	320.841	4.690	40	0		DJABRM
Cc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)[O-])cc1C	ZINC000225034844	563747009	/nfs/dbraw/zinc/74/70/09/563747009.db2.gz	NYTQMKWRTYKOSU-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
CC(C)c1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)[O-])cc1	ZINC000225045308	563747389	/nfs/dbraw/zinc/74/73/89/563747389.db2.gz	CDLOLQKUMNHRDJ-KRWDZBQOSA-N	-1	0	318.800	4.538	40	0		DJABRM
[O-]c1c(Cl)cc(Cl)cc1Cc1cccc(Cl)c1O	ZINC000001760434	180894717	/nfs/dbraw/zinc/89/47/17/180894717.db2.gz	FPYKANAPFVRJCL-UHFFFAOYSA-N	-1	0	303.572	4.649	40	0		DJABRM
O=C([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1ccccc1)N2	ZINC000003906217	181055599	/nfs/dbraw/zinc/05/55/99/181055599.db2.gz	PEIGAFLQZLAFNK-WHHUABKHSA-N	-1	0	319.404	4.681	40	0		DJABRM
Cc1ccc(S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)[O-])cc1	ZINC000225046790	201683515	/nfs/dbraw/zinc/68/35/15/201683515.db2.gz	KUWVZUOSFHUHDI-SFHVURJKSA-N	-1	0	314.450	4.906	40	0		DJABRM
CCCCCCC(=O)Nc1ccccc1SCCCC(=O)[O-]	ZINC000008732935	181581029	/nfs/dbraw/zinc/58/10/29/181581029.db2.gz	PULXXFCTLKZVJC-UHFFFAOYSA-N	-1	0	323.458	4.552	40	0		DJABRM
Cc1cc2sc([N-]c3nc4cc(C)c(C)cc4o3)nc2c(N)c1	ZINC000057352556	184034752	/nfs/dbraw/zinc/03/47/52/184034752.db2.gz	OGWZAAGMPAXZFC-UHFFFAOYSA-N	-1	0	324.409	4.689	40	0		DJABRM
O=C([O-])/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	ZINC000011828368	563359973	/nfs/dbraw/zinc/35/99/73/563359973.db2.gz	NGTVZGVCDADUBF-YWEYNIOJSA-N	-1	0	323.175	4.670	40	0		DJABRM
CC/C=C/C/C=C/C[C@H](O)/C=C/C=C/C/C=C/CCCC(=O)[O-]	ZINC000033955838	563446055	/nfs/dbraw/zinc/44/60/55/563446055.db2.gz	MCRJLMXYVFDXLS-AXPVODLBSA-N	-1	0	318.457	4.964	40	0		DJABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C=C/[C@@H](O)CCCC(=O)[O-]	ZINC000033838787	563446472	/nfs/dbraw/zinc/44/64/72/563446472.db2.gz	FTAGQROYQYQRHF-OMWCYUOVSA-N	-1	0	318.457	4.964	40	0		DJABRM
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)[O-])N2	ZINC000006943972	563595156	/nfs/dbraw/zinc/59/51/56/563595156.db2.gz	UORVNYQSQQOCFW-QEEYODRMSA-N	-1	0	319.404	4.774	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2cc(C)c(C)cc2C(C)=CC1(C)C	ZINC000223223742	563732596	/nfs/dbraw/zinc/73/25/96/563732596.db2.gz	DKOVIZBOXLDXTR-QGZVFWFLSA-N	-1	0	315.457	4.949	40	0		DJABRM
Cc1ccc(C)c(C[C@@H](Oc2cccc3ccccc32)C(=O)[O-])c1	ZINC000225029175	563746532	/nfs/dbraw/zinc/74/65/32/563746532.db2.gz	JLPYCZMDEPCLKZ-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)[O-])c(C)c1	ZINC000225025881	563746748	/nfs/dbraw/zinc/74/67/48/563746748.db2.gz	ZZAVSDGKNXPTKM-LJQANCHMSA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	ZINC000006965672	563921936	/nfs/dbraw/zinc/92/19/36/563921936.db2.gz	NNUHMHNKYZXHLH-YZVOILCLSA-N	-1	0	323.367	4.659	40	0		DJABRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	ZINC000006965714	563921958	/nfs/dbraw/zinc/92/19/58/563921958.db2.gz	NNUHMHNKYZXHLH-QMTMVMCOSA-N	-1	0	323.367	4.659	40	0		DJABRM
CSc1ccc2[n-]c(C(F)(F)F)c(C(C)C)c(=O)c2c1	ZINC000685937997	563926991	/nfs/dbraw/zinc/92/69/91/563926991.db2.gz	GGRBDYWNVDCAJA-UHFFFAOYSA-N	-1	0	301.333	4.805	40	0		DJABRM
O=C([O-])/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000011946023	568417751	/nfs/dbraw/zinc/41/77/51/568417751.db2.gz	PKEOCSYYBSWGDX-QPJJXVBHSA-N	-1	0	323.175	4.670	40	0		DJABRM
O=C([O-])c1ccc2c(c1)[nH]c(Br)c2C1CCCCC1	ZINC000003612407	181040718	/nfs/dbraw/zinc/04/07/18/181040718.db2.gz	ZVUVBRNZBOZLBU-UHFFFAOYSA-N	-1	0	322.202	4.676	40	0		DJABRM
Cc1cccc2c1[C@H]1c3c(C)cccc3[C@@H](CC(=O)[O-])C[C@@H]1CC2	ZINC000005742927	181279065	/nfs/dbraw/zinc/27/90/65/181279065.db2.gz	XWLULYBRJARUIE-JKSBSHDWSA-N	-1	0	320.432	4.960	40	0		DJABRM
Cc1cccc2c1[C@@H]1c3c(C)cccc3[C@H](CC(=O)[O-])C[C@@H]1CC2	ZINC000005742924	181279279	/nfs/dbraw/zinc/27/92/79/181279279.db2.gz	XWLULYBRJARUIE-PNLZDCPESA-N	-1	0	320.432	4.960	40	0		DJABRM
O=C([O-])/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000006473538	181343189	/nfs/dbraw/zinc/34/31/89/181343189.db2.gz	WKBWXBJVWZOFLU-SOFGYWHQSA-N	-1	0	323.175	4.670	40	0		DJABRM
COc1ccc(CSC(=S)[N-]c2ccc(F)c(C)c2)cc1	ZINC000006484573	181345120	/nfs/dbraw/zinc/34/51/20/181345120.db2.gz	GZOBIJFQQSKTGG-UHFFFAOYSA-N	-1	0	321.442	4.773	40	0		DJABRM
CC(C)c1ccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)[O-])cc1	ZINC000225045278	201683550	/nfs/dbraw/zinc/68/35/50/201683550.db2.gz	CDLOLQKUMNHRDJ-QGZVFWFLSA-N	-1	0	318.800	4.538	40	0		DJABRM
CC(/C=C/[C@@]12O[C@]1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000030731390	182596546	/nfs/dbraw/zinc/59/65/46/182596546.db2.gz	KEEHJLBAOLGBJZ-ILKMQKNNSA-N	-1	0	316.441	4.814	40	0	endogenous,world	DJABRM
Cc1cc2sc([N-]c3nc4ccccc4s3)nc2c(N)c1	ZINC000057352477	184034695	/nfs/dbraw/zinc/03/46/95/184034695.db2.gz	QODIVZKARQVKCP-UHFFFAOYSA-N	-1	0	312.423	4.540	40	0		DJABRM
CCc1ccc2oc([N-]c3nc4ccc(F)cc4s3)nc2c1	ZINC000057352973	184035259	/nfs/dbraw/zinc/03/52/59/184035259.db2.gz	USPPCWMKWFOVOL-UHFFFAOYSA-N	-1	0	313.357	4.883	40	0		DJABRM
Cc1cccc2c1N(Cc1ccc(C(=O)[O-])o1)C(C)(C)C[C@H]2C	ZINC000260621777	333463455	/nfs/dbraw/zinc/46/34/55/333463455.db2.gz	OXMYBDIGLLRYFY-CYBMUJFWSA-N	-1	0	313.397	4.579	40	0		DJABRM
FC(F)(F)c1ccccc1[N-]C(=S)SCc1ccco1	ZINC000006513836	563332603	/nfs/dbraw/zinc/33/26/03/563332603.db2.gz	MUDKEVKTBFDLHH-UHFFFAOYSA-N	-1	0	317.357	4.929	40	0		DJABRM
CC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCC(=O)[O-]	ZINC000027643069	563428658	/nfs/dbraw/zinc/42/86/58/563428658.db2.gz	WLOUCHKFBGGNEB-CHGUASJCSA-N	-1	0	318.457	4.964	40	0	in-vitro	DJABRM
Cc1c(Cl)ccc2c(Nc3ccccc3C(=O)[O-])ccnc12	ZINC000078401465	563512337	/nfs/dbraw/zinc/51/23/37/563512337.db2.gz	CIHHQJGTCGAWLJ-UHFFFAOYSA-N	-1	0	312.756	4.638	40	0		DJABRM
Cc1cc(Nc2cccc(C(=O)[O-])c2)c2cccc(Cl)c2n1	ZINC000078401634	563513188	/nfs/dbraw/zinc/51/31/88/563513188.db2.gz	XZFWQZXBTBISOY-UHFFFAOYSA-N	-1	0	312.756	4.638	40	0		DJABRM
C/C(=C\C(=O)[O-])CC[C@@]1(O)[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C	ZINC000095933332	563531756	/nfs/dbraw/zinc/53/17/56/563531756.db2.gz	GVGJRMWFFTWASU-MABCWTSKSA-N	-1	0	322.489	4.791	40	0		DJABRM
CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(C(C)C)n1	ZINC000585265191	563537285	/nfs/dbraw/zinc/53/72/85/563537285.db2.gz	IDRGONMQJCIMHO-UHFFFAOYSA-N	-1	0	313.397	4.667	40	0		DJABRM
CC(C)[C@@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C	ZINC000223210033	563731931	/nfs/dbraw/zinc/73/19/31/563731931.db2.gz	HDIWSKKJCLSVEL-NHYWBVRUSA-N	-1	0	309.837	4.541	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2c(C)cccc2C(C)=CC1(C)C	ZINC000223223153	563732436	/nfs/dbraw/zinc/73/24/36/563732436.db2.gz	QYKHCGZVIPALNF-MRXNPFEDSA-N	-1	0	301.430	4.640	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2cc(C)ccc2[C@@H](C)CC1(C)C	ZINC000223224184	563732571	/nfs/dbraw/zinc/73/25/71/563732571.db2.gz	DPBMGAGSUAANJM-GOEBONIOSA-N	-1	0	303.446	4.731	40	0		DJABRM
Cc1cccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)[O-])c1C	ZINC000225023707	563746929	/nfs/dbraw/zinc/74/69/29/563746929.db2.gz	FZEGPMUGQPBCLH-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1cc(C)cc(C[C@@H](Oc2ccccc2C(C)C)C(=O)[O-])c1	ZINC000225036987	563746975	/nfs/dbraw/zinc/74/69/75/563746975.db2.gz	LRTXIBGHSOITDG-LJQANCHMSA-N	-1	0	312.409	4.502	40	0		DJABRM
CC[C@H](O)/C=C/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000256078961	563789768	/nfs/dbraw/zinc/78/97/68/563789768.db2.gz	LRWYBGFSVUBWMO-BPSQBKAQSA-N	-1	0	318.457	4.964	40	0		DJABRM
Cc1c(Cl)ccc2c(Nc3cccc(C(=O)[O-])c3)ccnc12	ZINC000045928669	563888333	/nfs/dbraw/zinc/88/83/33/563888333.db2.gz	DUXJLZUKERNPFF-UHFFFAOYSA-N	-1	0	312.756	4.638	40	0		DJABRM
O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21	ZINC000001671971	563895454	/nfs/dbraw/zinc/89/54/54/563895454.db2.gz	VZUQNWWKOLPWLT-UHFFFAOYSA-N	-1	0	318.159	4.907	40	0		DJABRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	ZINC000006960274	563921807	/nfs/dbraw/zinc/92/18/07/563921807.db2.gz	LEXLWFFOUXASJD-TXPKVOOTSA-N	-1	0	323.367	4.659	40	0		DJABRM
Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(C(=O)[O-])c1	ZINC000324698361	568417997	/nfs/dbraw/zinc/41/79/97/568417997.db2.gz	XJHFCOXPEJTVIK-UHFFFAOYSA-N	-1	0	320.348	4.503	40	0		DJABRM
CC(C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846410	181049245	/nfs/dbraw/zinc/04/92/45/181049245.db2.gz	ZOYYIVKKDFCYRI-CYGHRXIMSA-N	-1	0	316.441	4.509	40	0		DJABRM
Cc1cc(C(=O)[O-])c(COc2ccc(-c3ccccc3)cc2)o1	ZINC000005361710	181234183	/nfs/dbraw/zinc/23/41/83/181234183.db2.gz	FVNOIVQFAFLGSG-UHFFFAOYSA-N	-1	0	308.333	4.532	40	0		DJABRM
Cc1cccc2c1[C@H]1c3c(C)cccc3[C@H](CC(=O)[O-])C[C@@H]1CC2	ZINC000005742925	181279375	/nfs/dbraw/zinc/27/93/75/181279375.db2.gz	XWLULYBRJARUIE-HOIFWPIMSA-N	-1	0	320.432	4.960	40	0		DJABRM
CCC[C@@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C	ZINC000223216753	201637625	/nfs/dbraw/zinc/63/76/25/201637625.db2.gz	DLRCWTSHAAQTOX-NHYWBVRUSA-N	-1	0	309.837	4.686	40	0		DJABRM
Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2Cc1ccc(C(=O)[O-])o1	ZINC000223233319	201639004	/nfs/dbraw/zinc/63/90/04/201639004.db2.gz	SLSVDBGIGJXYSV-ZDUSSCGKSA-N	-1	0	313.397	4.579	40	0		DJABRM
Cc1cc(C)cc(O[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c1	ZINC000225048407	201684149	/nfs/dbraw/zinc/68/41/49/201684149.db2.gz	SLGZEPNVCFFBAM-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1ccc(S[C@H](Cc2ccc(C)c(Cl)c2)C(=O)[O-])cc1	ZINC000225081013	201685676	/nfs/dbraw/zinc/68/56/76/201685676.db2.gz	QOWZKAZACBCOMB-MRXNPFEDSA-N	-1	0	320.841	4.745	40	0		DJABRM
O=C([O-])c1c(OCc2ccc(Cl)cc2)ccc2ccccc21	ZINC000011800812	181706222	/nfs/dbraw/zinc/70/62/22/181706222.db2.gz	CHYIWRZSMRRKPU-UHFFFAOYSA-N	-1	0	312.752	4.770	40	0		DJABRM
CCCCSc1c2sc(=O)oc2c2ccccc2c1[O-]	ZINC000016639401	182055106	/nfs/dbraw/zinc/05/51/06/182055106.db2.gz	CAMBJDXWROYUBR-UHFFFAOYSA-N	-1	0	306.408	4.606	40	0		DJABRM
O=C([O-])/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000020526813	182227180	/nfs/dbraw/zinc/22/71/80/182227180.db2.gz	NCLJCASXDZRFBS-FNORWQNLSA-N	-1	0	323.175	4.670	40	0		DJABRM
CCOc1ccc(C(=O)[O-])cc1COc1cccc2ccccc21	ZINC000024549476	182383074	/nfs/dbraw/zinc/38/30/74/182383074.db2.gz	BQYJZWZJMVWBFP-UHFFFAOYSA-N	-1	0	322.360	4.516	40	0		DJABRM
CC[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000034961915	182746196	/nfs/dbraw/zinc/74/61/96/182746196.db2.gz	LRWYBGFSVUBWMO-OKIFYYRFSA-N	-1	0	318.457	4.964	40	0	in-vitro	DJABRM
Cc1cc(N)cc2sc([N-]c3nc4ccc(C)c(C)c4o3)nc21	ZINC000057352674	184034762	/nfs/dbraw/zinc/03/47/62/184034762.db2.gz	VDFOUUSSKSNFRE-UHFFFAOYSA-N	-1	0	324.409	4.689	40	0		DJABRM
Cc1cc(N)cc2sc([N-]c3nc4ccccc4s3)nc21	ZINC000057352472	184034843	/nfs/dbraw/zinc/03/48/43/184034843.db2.gz	QAFZJQPQFULELU-UHFFFAOYSA-N	-1	0	312.423	4.540	40	0		DJABRM
CCc1ccc2oc([N-]c3nc4c(cc(C)cc4N)s3)nc2c1	ZINC000057352561	184034993	/nfs/dbraw/zinc/03/49/93/184034993.db2.gz	SAMNHOGBKSMDAK-UHFFFAOYSA-N	-1	0	324.409	4.634	40	0		DJABRM
C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@H]21)CC(=O)[O-]	ZINC000031157793	560090489	/nfs/dbraw/zinc/09/04/89/560090489.db2.gz	FVXAJZRADGVLQM-VCNAKFCDSA-N	-1	0	322.489	4.649	40	0	biogenic,in-vitro	DJABRM
CC(C)(Oc1ccc(-c2cccc3ccccc32)cc1)C(=O)[O-]	ZINC000001567038	560182335	/nfs/dbraw/zinc/18/23/35/560182335.db2.gz	JTWKEZBNKHBDAW-UHFFFAOYSA-N	-1	0	306.361	4.749	40	0	in-vitro	DJABRM
O=C([O-])/C=C\c1ccccc1Oc1cccc(C(F)(F)F)c1	ZINC000033376875	563445761	/nfs/dbraw/zinc/44/57/61/563445761.db2.gz	IBBJOWCFBWEAEQ-HJWRWDBZSA-N	-1	0	308.255	4.596	40	0		DJABRM
O=C([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2	ZINC000101264066	563556670	/nfs/dbraw/zinc/55/66/70/563556670.db2.gz	PEIGAFLQZLAFNK-MNNRLQOHSA-N	-1	0	319.404	4.681	40	0		DJABRM
Cc1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000006968692	563596783	/nfs/dbraw/zinc/59/67/83/563596783.db2.gz	UYIQAXSHTDISJI-MUKKUYKPSA-N	-1	0	305.377	4.520	40	0		DJABRM
O=C([O-])c1cn(Cc2cccc3ccccc32)c2ccccc12	ZINC000216947624	563712210	/nfs/dbraw/zinc/71/22/10/563712210.db2.gz	JEGIPTJCIZQMHH-UHFFFAOYSA-N	-1	0	301.345	4.541	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2cc(C)c(C)cc2C(C)=CC1(C)C	ZINC000223223680	563732488	/nfs/dbraw/zinc/73/24/88/563732488.db2.gz	DKOVIZBOXLDXTR-KRWDZBQOSA-N	-1	0	315.457	4.949	40	0		DJABRM
Cc1ccc(C[C@@H](Oc2cccc3ccccc32)C(=O)[O-])c(C)c1	ZINC000225026460	563746804	/nfs/dbraw/zinc/74/68/04/563746804.db2.gz	CECWVCHPTLVHBL-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1cc(C)cc(C[C@@H](Oc2cccc3ccccc32)C(=O)[O-])c1	ZINC000225037555	563746963	/nfs/dbraw/zinc/74/69/63/563746963.db2.gz	OWSISSUZLUPNAC-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
CC(C)c1ccc(C[C@H](Sc2ccccc2)C(=O)[O-])cc1	ZINC000225046736	563747282	/nfs/dbraw/zinc/74/72/82/563747282.db2.gz	JQHXXHBGXFZOMN-KRWDZBQOSA-N	-1	0	300.423	4.598	40	0		DJABRM
CC(C)c1ccc(C[C@H](Oc2ccccc2Cl)C(=O)[O-])cc1	ZINC000225045244	563747377	/nfs/dbraw/zinc/74/73/77/563747377.db2.gz	VXTYVIVEIGUYLG-KRWDZBQOSA-N	-1	0	318.800	4.538	40	0		DJABRM
Cc1ccc(O[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1C	ZINC000225049224	563747403	/nfs/dbraw/zinc/74/74/03/563747403.db2.gz	JCHQPFLTYOCAPW-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
CC(C)c1ccccc1O[C@@H](Cc1ccccc1Cl)C(=O)[O-]	ZINC000225056491	563747566	/nfs/dbraw/zinc/74/75/66/563747566.db2.gz	MLBYGQWJZYPXFO-KRWDZBQOSA-N	-1	0	318.800	4.538	40	0		DJABRM
CCCCc1ccc(C[C@H](Sc2ccccc2)C(=O)[O-])cc1	ZINC000225129399	563749304	/nfs/dbraw/zinc/74/93/04/563749304.db2.gz	WZRGDJYAKQVTBT-SFHVURJKSA-N	-1	0	314.450	4.817	40	0		DJABRM
CCC[C@@H](C(=O)[O-])N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C	ZINC000260619335	563772510	/nfs/dbraw/zinc/77/25/10/563772510.db2.gz	JYWZGXMZCSXWQQ-ZBFHGGJFSA-N	-1	0	303.446	4.649	40	0		DJABRM
CC/C=C/C/C=C/C=C/[C@H](O)C/C=C\C/C=C/CCCC(=O)[O-]	ZINC000256078664	563789573	/nfs/dbraw/zinc/78/95/73/563789573.db2.gz	IDEHSDHMEMMYIR-YFDSRPJYSA-N	-1	0	318.457	4.964	40	0		DJABRM
CC[C@H](O)/C=C/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)[O-]	ZINC000256078963	563789948	/nfs/dbraw/zinc/78/99/48/563789948.db2.gz	LRWYBGFSVUBWMO-PEHNSZQWSA-N	-1	0	318.457	4.964	40	0		DJABRM
CCc1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000006944928	563921666	/nfs/dbraw/zinc/92/16/66/563921666.db2.gz	YDSJQAIWFJANLN-KKVAFCGZSA-N	-1	0	319.404	4.774	40	0		DJABRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	ZINC000006960406	563921796	/nfs/dbraw/zinc/92/17/96/563921796.db2.gz	LEXLWFFOUXASJD-FRQCXROJSA-N	-1	0	323.367	4.659	40	0		DJABRM
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000006962667	563921903	/nfs/dbraw/zinc/92/19/03/563921903.db2.gz	PMPWNXTZBCOVFP-MDOVXXIYSA-N	-1	0	319.404	4.828	40	0		DJABRM
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)[O-])N2	ZINC000006967028	563921947	/nfs/dbraw/zinc/92/19/47/563921947.db2.gz	GLPHKBXBGJWGOG-PJIJBLCYSA-N	-1	0	305.377	4.520	40	0		DJABRM
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)[O-])N2	ZINC000006962719	563921965	/nfs/dbraw/zinc/92/19/65/563921965.db2.gz	FSQNGDOCRZYRQM-QEEYODRMSA-N	-1	0	319.404	4.828	40	0		DJABRM
CC(/C=C/C1=C(C)[C@@H](O)CCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000012496833	563926742	/nfs/dbraw/zinc/92/67/42/563926742.db2.gz	KGUMXGDKXYTTEY-CJJLNRCZSA-N	-1	0	316.441	4.573	40	0	endogenous,world	DJABRM
CC(C)(C)c1ccc(Cn2c(C(=O)[O-])cc3sccc32)cc1	ZINC000001350586	180856037	/nfs/dbraw/zinc/85/60/37/180856037.db2.gz	DXRXLWDGEYKPAF-UHFFFAOYSA-N	-1	0	313.422	4.747	40	0		DJABRM
COc1ccccc1[C@@H](C)c1ccc2ccccc2c1C(=O)[O-]	ZINC000001599957	180877698	/nfs/dbraw/zinc/87/76/98/180877698.db2.gz	OUVZAAUUPLKLHA-CYBMUJFWSA-N	-1	0	306.361	4.698	40	0		DJABRM
COc1ccccc1[C@H](C)c1ccc2ccccc2c1C(=O)[O-]	ZINC000006437496	181341615	/nfs/dbraw/zinc/34/16/15/181341615.db2.gz	OUVZAAUUPLKLHA-ZDUSSCGKSA-N	-1	0	306.361	4.698	40	0		DJABRM
Cc1c(C(=O)[O-])c2ccccc2n1Cc1ccc2ccccc2c1	ZINC000216947754	201504916	/nfs/dbraw/zinc/50/49/16/201504916.db2.gz	NMQSTPAEYUADMR-UHFFFAOYSA-N	-1	0	315.372	4.849	40	0		DJABRM
O=C(Nc1ccc([S-])cc1)Nc1cccc(C(F)(F)F)c1	ZINC000016399366	331567086	/nfs/dbraw/zinc/56/70/86/331567086.db2.gz	RAMNQCPMCXJQMJ-UHFFFAOYSA-N	-1	0	312.316	4.638	40	0		DJABRM
CCC[C@@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@H](C)CC1(C)C	ZINC000260613181	333425013	/nfs/dbraw/zinc/42/50/13/333425013.db2.gz	DLRCWTSHAAQTOX-ABAIWWIYSA-N	-1	0	309.837	4.686	40	0		DJABRM
Cc1ccc2c(c1)N(Cc1ccc(C(=O)[O-])o1)C(C)(C)C[C@H]2C	ZINC000260613034	333425079	/nfs/dbraw/zinc/42/50/79/333425079.db2.gz	CJANRRCDHPOOHX-CYBMUJFWSA-N	-1	0	313.397	4.579	40	0		DJABRM
CCC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-]	ZINC000001719612	563293304	/nfs/dbraw/zinc/29/33/04/563293304.db2.gz	ILGVOWDGSHSWPC-UHFFFAOYSA-N	-1	0	315.967	4.591	40	0		DJABRM
CCCCc1ccc2cc(CCCC)cc(S(=O)(=O)[O-])c2c1	ZINC000002508015	563305227	/nfs/dbraw/zinc/30/52/27/563305227.db2.gz	VOAPUCYMJIIDNE-UHFFFAOYSA-N	-1	0	320.454	4.772	40	0		DJABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000012496534	563370487	/nfs/dbraw/zinc/37/04/87/563370487.db2.gz	FTAGQROYQYQRHF-GHWNLOBHSA-N	-1	0	318.457	4.964	40	0	endogenous,in-man	DJABRM
C[C@H](CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C)CC(=O)[O-]	ZINC000095100255	563529082	/nfs/dbraw/zinc/52/90/82/563529082.db2.gz	KHCCSRVJJDOANA-SQOWSMRPSA-N	-1	0	324.505	4.871	40	0		DJABRM
CCCc1nc(CC(C)C)c(-c2ccccc2F)cc1C(=O)[O-]	ZINC000585265511	563537117	/nfs/dbraw/zinc/53/71/17/563537117.db2.gz	ROQPZORSOZPIGV-UHFFFAOYSA-N	-1	0	315.388	4.737	40	0		DJABRM
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)[O-])N2	ZINC000006944058	563595603	/nfs/dbraw/zinc/59/56/03/563595603.db2.gz	UORVNYQSQQOCFW-STXHMFSFSA-N	-1	0	319.404	4.774	40	0		DJABRM
CC/C=C\C/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCCC(=O)[O-]	ZINC000033820502	563597692	/nfs/dbraw/zinc/59/76/92/563597692.db2.gz	OXOPDAZWPWFJEW-FPRWAWDYSA-N	-1	0	318.457	4.964	40	0	in-vitro	DJABRM
O=C([O-])c1cn(Cc2ccc3ccccc3c2)c2ccccc12	ZINC000225686767	563604417	/nfs/dbraw/zinc/60/44/17/563604417.db2.gz	OCUYRDZFWBLNCV-UHFFFAOYSA-N	-1	0	301.345	4.541	40	0		DJABRM
CCCCCCC(=O)Nc1ccccc1S[C@H](CC)C(=O)[O-]	ZINC000008732937	563644283	/nfs/dbraw/zinc/64/42/83/563644283.db2.gz	JISFTTVUMWTYJO-CQSZACIVSA-N	-1	0	323.458	4.551	40	0		DJABRM
Cc1ccc(Oc2ccc(NCc3ccc(C(=O)[O-])o3)cc2)cc1	ZINC000008702223	563644334	/nfs/dbraw/zinc/64/43/34/563644334.db2.gz	HIDZQBJDGWAKBM-UHFFFAOYSA-N	-1	0	323.348	4.691	40	0		DJABRM
Cc1cccc2c1N(Cc1ccc(C(=O)[O-])o1)C(C)(C)C[C@@H]2C	ZINC000223233465	563732552	/nfs/dbraw/zinc/73/25/52/563732552.db2.gz	OXMYBDIGLLRYFY-ZDUSSCGKSA-N	-1	0	313.397	4.579	40	0		DJABRM
Cc1cccc(C[C@H](Oc2ccccc2C(C)C)C(=O)[O-])c1C	ZINC000225023036	563746272	/nfs/dbraw/zinc/74/62/72/563746272.db2.gz	RPFUVAHTQWGFNM-IBGZPJMESA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1ccc(C)c(C[C@H](Oc2ccc3ccccc3c2)C(=O)[O-])c1	ZINC000225029313	563746656	/nfs/dbraw/zinc/74/66/56/563746656.db2.gz	OSNGYKLYKIYZOK-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1ccc(C[C@@H](Oc2cccc3ccccc32)C(=O)[O-])cc1C	ZINC000225034718	563746808	/nfs/dbraw/zinc/74/68/08/563746808.db2.gz	KXXMBOFTCRJTOG-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1ccc(C)c(C[C@H](Oc2ccccc2C(C)C)C(=O)[O-])c1	ZINC000225028645	563746887	/nfs/dbraw/zinc/74/68/87/563746887.db2.gz	BSRQQNFBDJUZIR-IBGZPJMESA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1ccc(O[C@H](Cc2ccc(C(C)C)cc2)C(=O)[O-])cc1C	ZINC000225046423	563747453	/nfs/dbraw/zinc/74/74/53/563747453.db2.gz	DQSPFUIXVRYZNK-LJQANCHMSA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1ccc(S[C@H](Cc2ccc(Cl)cc2C)C(=O)[O-])cc1	ZINC000225075565	563747998	/nfs/dbraw/zinc/74/79/98/563747998.db2.gz	LCMGYWGOXHMTRI-MRXNPFEDSA-N	-1	0	320.841	4.745	40	0		DJABRM
CC(/C=C/C=C(C)\C=C/C1=C(C)C(=O)CCC1(C)C)=C/C(=O)[O-]	ZINC000032790467	563922991	/nfs/dbraw/zinc/92/29/91/563922991.db2.gz	GGCUJPCCTQNTJF-YUCFXELWSA-N	-1	0	314.425	4.782	40	0		DJABRM
CC(=O)c1ccc(OCCCCCCCCCCC(=O)[O-])cc1	ZINC000004578802	181126678	/nfs/dbraw/zinc/12/66/78/181126678.db2.gz	OXZDQGRQLAXRRU-UHFFFAOYSA-N	-1	0	320.429	4.864	40	0		DJABRM
CC(C)OC(=S)[N-]c1ccc(Cl)c(COC(C)(C)C)c1	ZINC000005732736	181278618	/nfs/dbraw/zinc/27/86/18/181278618.db2.gz	LBUBMRCLAAWKGM-UHFFFAOYSA-N	-1	0	315.866	4.777	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2c(C)cccc2C(C)=CC1(C)C	ZINC000223223095	201637386	/nfs/dbraw/zinc/63/73/86/201637386.db2.gz	QYKHCGZVIPALNF-INIZCTEOSA-N	-1	0	301.430	4.640	40	0		DJABRM
Cc1cccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)[O-])c1C	ZINC000225022994	201682550	/nfs/dbraw/zinc/68/25/50/201682550.db2.gz	RPFUVAHTQWGFNM-LJQANCHMSA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1C	ZINC000225035089	201683872	/nfs/dbraw/zinc/68/38/72/201683872.db2.gz	IGCKFABMJYUGQI-MRXNPFEDSA-N	-1	0	320.841	4.745	40	0		DJABRM
Cc1ccc(C)c(C[C@@H](Oc2ccccc2C(C)C)C(=O)[O-])c1	ZINC000225028614	201684246	/nfs/dbraw/zinc/68/42/46/201684246.db2.gz	BSRQQNFBDJUZIR-LJQANCHMSA-N	-1	0	312.409	4.502	40	0		DJABRM
O=C([O-])c1cccc(-c2ccccc2F)c1OCc1ccccc1	ZINC000257321024	203046508	/nfs/dbraw/zinc/04/65/08/203046508.db2.gz	VZSSGZORTFWNJB-UHFFFAOYSA-N	-1	0	322.335	4.770	40	0		DJABRM
C[C@@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@H]21)CC(=O)[O-]	ZINC000031157788	182607962	/nfs/dbraw/zinc/60/79/62/182607962.db2.gz	FVXAJZRADGVLQM-SSGANFLRSA-N	-1	0	322.489	4.649	40	0	biogenic,in-vitro	DJABRM
CC(/C=C/C=C(C)\C=C\C1=C(C)[C@H](O)CCC1(C)C)=C\C(=O)[O-]	ZINC000038600375	183003455	/nfs/dbraw/zinc/00/34/55/183003455.db2.gz	KGUMXGDKXYTTEY-OCVCUBBTSA-N	-1	0	316.441	4.573	40	0	in-vitro	DJABRM
CCCC[C@@H](C(=O)[O-])N1c2ccc(C)cc2[C@H](C)CC1(C)C	ZINC000260613204	333424970	/nfs/dbraw/zinc/42/49/70/333424970.db2.gz	DORUNDIXZYGZPK-PBHICJAKSA-N	-1	0	303.446	4.731	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2c(C)cccc2[C@H](C)CC1(C)C	ZINC000260616322	333425020	/nfs/dbraw/zinc/42/50/20/333425020.db2.gz	ILLBLMVFCCQQDK-GDBMZVCRSA-N	-1	0	303.446	4.731	40	0		DJABRM
CCC[C@H](C(=O)[O-])N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C	ZINC000260616398	333425077	/nfs/dbraw/zinc/42/50/77/333425077.db2.gz	JYWZGXMZCSXWQQ-GDBMZVCRSA-N	-1	0	303.446	4.649	40	0		DJABRM
CCCCCCC(=O)Nc1ccccc1S[C@@H](CC)C(=O)[O-]	ZINC000008732936	563643982	/nfs/dbraw/zinc/64/39/82/563643982.db2.gz	JISFTTVUMWTYJO-AWEZNQCLSA-N	-1	0	323.458	4.551	40	0		DJABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)[O-]	ZINC000008860440	563350304	/nfs/dbraw/zinc/35/03/04/563350304.db2.gz	FTAGQROYQYQRHF-CBVHGRPESA-N	-1	0	318.457	4.964	40	0	endogenous,in-man	DJABRM
CC(C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)=C([O-])c1ccccc1	ZINC000013406048	563381308	/nfs/dbraw/zinc/38/13/08/563381308.db2.gz	ZOYYIVKKDFCYRI-ATLSCFEFSA-N	-1	0	316.441	4.509	40	0		DJABRM
Cc1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000006968667	563596812	/nfs/dbraw/zinc/59/68/12/563596812.db2.gz	UYIQAXSHTDISJI-WTANOLMUSA-N	-1	0	305.377	4.520	40	0		DJABRM
Cc1cccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)[O-])c1C	ZINC000225023671	563746066	/nfs/dbraw/zinc/74/60/66/563746066.db2.gz	FZEGPMUGQPBCLH-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
CCCN(c1ccccc1Sc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000225004651	563746104	/nfs/dbraw/zinc/74/61/04/563746104.db2.gz	JRQAJVYWIDFVJA-AWEZNQCLSA-N	-1	0	315.438	4.527	40	0		DJABRM
Cc1cccc(C[C@@H](Oc2cccc3ccccc32)C(=O)[O-])c1C	ZINC000225023574	563746460	/nfs/dbraw/zinc/74/64/60/563746460.db2.gz	SQLHXGCQECLLGW-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)[O-])cc1C	ZINC000225034194	563746825	/nfs/dbraw/zinc/74/68/25/563746825.db2.gz	KHKQWGGEQQXLDU-IBGZPJMESA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1cc(C)cc(C[C@H](Oc2cccc3ccccc32)C(=O)[O-])c1	ZINC000225037593	563746878	/nfs/dbraw/zinc/74/68/78/563746878.db2.gz	OWSISSUZLUPNAC-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
CCc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000225044179	563747249	/nfs/dbraw/zinc/74/72/49/563747249.db2.gz	VRPMYOCQNSJMJT-MRXNPFEDSA-N	-1	0	320.841	4.690	40	0		DJABRM
Cc1ccc(S[C@@H](Cc2c(C)cc(C)cc2C)C(=O)[O-])cc1	ZINC000225137382	563749700	/nfs/dbraw/zinc/74/97/00/563749700.db2.gz	MHNDFRDWXFXDRR-SFHVURJKSA-N	-1	0	314.450	4.708	40	0		DJABRM
Cc1ccc(S[C@H](Cc2c(C)cc(C)cc2C)C(=O)[O-])cc1	ZINC000225137419	563749824	/nfs/dbraw/zinc/74/98/24/563749824.db2.gz	MHNDFRDWXFXDRR-GOSISDBHSA-N	-1	0	314.450	4.708	40	0		DJABRM
Cc1cc2c(cc1C)N([C@H](C(=O)[O-])C(C)C)C(C)(C)C[C@H]2C	ZINC000260619525	563772302	/nfs/dbraw/zinc/77/23/02/563772302.db2.gz	NJMUHVOSRYZCCW-PBHICJAKSA-N	-1	0	303.446	4.505	40	0		DJABRM
O=C([O-])c1cc(Cl)ccc1OCc1cccc2ccccc21	ZINC000007604032	563822497	/nfs/dbraw/zinc/82/24/97/563822497.db2.gz	NVLISPAPWZWJQM-UHFFFAOYSA-N	-1	0	312.752	4.770	40	0		DJABRM
Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000006962506	563922021	/nfs/dbraw/zinc/92/20/21/563922021.db2.gz	WAMKCSGQFIGFEN-FYJGNVAPSA-N	-1	0	318.376	4.543	40	0		DJABRM
CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]21C	ZINC000013302315	563929249	/nfs/dbraw/zinc/92/92/49/563929249.db2.gz	MSWJSDLNPCSSNW-YSIASYRMSA-N	-1	0	314.425	4.545	40	0	biogenic,in-vitro	DJABRM
O=C([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2	ZINC000003906220	181056033	/nfs/dbraw/zinc/05/60/33/181056033.db2.gz	PEIGAFLQZLAFNK-YQZTXLELSA-N	-1	0	319.404	4.681	40	0		DJABRM
CC(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846412	181048900	/nfs/dbraw/zinc/04/89/00/181048900.db2.gz	ZOYYIVKKDFCYRI-MXSMSXNCSA-N	-1	0	316.441	4.509	40	0		DJABRM
O=C([O-])c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000073635333	191334342	/nfs/dbraw/zinc/33/43/42/191334342.db2.gz	DJPCOUKBEQLHAU-UHFFFAOYSA-N	-1	0	324.188	4.968	40	0		DJABRM
O=C([O-])c1cccnc1SC(c1ccccc1)c1ccccc1	ZINC000006344081	181332582	/nfs/dbraw/zinc/33/25/82/181332582.db2.gz	VYIWZUOLOPQFOF-UHFFFAOYSA-N	-1	0	321.401	4.662	40	0		DJABRM
Cc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)[O-])c(C)c1	ZINC000225026546	201683448	/nfs/dbraw/zinc/68/34/48/201683448.db2.gz	KUXBFFTZMNCXDR-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
CCN(C(=O)[O-])c1ccc(/C=C/c2ccnc3ccccc23)cc1	ZINC000016951764	182065763	/nfs/dbraw/zinc/06/57/63/182065763.db2.gz	KNOPOWBPFZVTPM-JXMROGBWSA-N	-1	0	318.376	4.910	40	0		DJABRM
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=C([O-])c1cccc2ccccc21	ZINC000039738102	183021999	/nfs/dbraw/zinc/02/19/99/183021999.db2.gz	RQYSFOKBYGSJJV-WWMYMODYSA-N	-1	0	306.405	4.664	40	0		DJABRM
CCOc1ccc(NCc2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000409115990	257222531	/nfs/dbraw/zinc/22/25/31/257222531.db2.gz	KVTZPFXPIJUOJX-UHFFFAOYSA-N	-1	0	312.196	4.710	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2c(C)cccc2[C@H](C)CC1(C)C	ZINC000260616324	333424946	/nfs/dbraw/zinc/42/49/46/333424946.db2.gz	ILLBLMVFCCQQDK-ZBFHGGJFSA-N	-1	0	303.446	4.731	40	0		DJABRM
CC(C)[C@@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@H](C)CC1(C)C	ZINC000260616220	333424974	/nfs/dbraw/zinc/42/49/74/333424974.db2.gz	HDIWSKKJCLSVEL-ABAIWWIYSA-N	-1	0	309.837	4.541	40	0		DJABRM
CC/C=C/C/C=C/C/C=C/C=C/[C@@H](O)C/C=C\CCCC(=O)[O-]	ZINC000299888759	334258609	/nfs/dbraw/zinc/25/86/09/334258609.db2.gz	WLOUCHKFBGGNEB-TUDLEBCNSA-N	-1	0	318.457	4.964	40	0		DJABRM
O=C([O-])C1(Nc2ccc(-c3ccc(Cl)cc3)cc2)CCCC1	ZINC000001686506	563291488	/nfs/dbraw/zinc/29/14/88/563291488.db2.gz	NGGXXZOURPLICP-UHFFFAOYSA-N	-1	0	315.800	4.816	40	0		DJABRM
CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(C(C)C)n1	ZINC000585265036	563537123	/nfs/dbraw/zinc/53/71/23/563537123.db2.gz	FPWUTIKBDOQICE-UHFFFAOYSA-N	-1	0	319.788	4.622	40	0		DJABRM
CC[C@H](O)/C=C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-]	ZINC000098044173	563544064	/nfs/dbraw/zinc/54/40/64/563544064.db2.gz	LRWYBGFSVUBWMO-KTEAUKRLSA-N	-1	0	318.457	4.964	40	0		DJABRM
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)[O-])N2	ZINC000006962744	563596244	/nfs/dbraw/zinc/59/62/44/563596244.db2.gz	FSQNGDOCRZYRQM-STXHMFSFSA-N	-1	0	319.404	4.828	40	0		DJABRM
CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]21C	ZINC000013302313	563657527	/nfs/dbraw/zinc/65/75/27/563657527.db2.gz	MSWJSDLNPCSSNW-YZGWKJHDSA-N	-1	0	314.425	4.545	40	0	biogenic,in-vitro	DJABRM
O=C([O-])c1cccnc1Nc1ccccc1Sc1ccccc1	ZINC000223177523	563731051	/nfs/dbraw/zinc/73/10/51/563731051.db2.gz	JXAFNCVLVCBHSI-UHFFFAOYSA-N	-1	0	322.389	4.675	40	0		DJABRM
Cc1cc2c(cc1C)N([C@@H](C(=O)[O-])C(C)C)C(C)(C)C[C@@H]2C	ZINC000223210394	563731837	/nfs/dbraw/zinc/73/18/37/563731837.db2.gz	NJMUHVOSRYZCCW-WMLDXEAASA-N	-1	0	303.446	4.505	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2c(C)cccc2[C@@H](C)CC1(C)C	ZINC000223224406	563732479	/nfs/dbraw/zinc/73/24/79/563732479.db2.gz	ILLBLMVFCCQQDK-HOCLYGCPSA-N	-1	0	303.446	4.731	40	0		DJABRM
Cc1cc(C)cc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)[O-])c1	ZINC000225037650	563746664	/nfs/dbraw/zinc/74/66/64/563746664.db2.gz	ORTXAOPATGTJOJ-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1ccc(C[C@H](Oc2cccc3ccccc32)C(=O)[O-])cc1C	ZINC000225034755	563746795	/nfs/dbraw/zinc/74/67/95/563746795.db2.gz	KXXMBOFTCRJTOG-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1cccc(C)c1C[C@@H](Oc1cccc2ccccc21)C(=O)[O-]	ZINC000225031891	563746834	/nfs/dbraw/zinc/74/68/34/563746834.db2.gz	OCBGHLXMFVEFGT-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)[O-])c(C)c1	ZINC000225025922	563746959	/nfs/dbraw/zinc/74/69/59/563746959.db2.gz	ZZAVSDGKNXPTKM-IBGZPJMESA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1ccc(S[C@H](Cc2cc(Cl)ccc2C)C(=O)[O-])cc1	ZINC000225078283	563748063	/nfs/dbraw/zinc/74/80/63/563748063.db2.gz	YGNOALNEMVZZGL-MRXNPFEDSA-N	-1	0	320.841	4.745	40	0		DJABRM
CC/C=C/C[C@H](O)/C=C/C=C/C/C=C\C/C=C/CCCC(=O)[O-]	ZINC000256080151	563789692	/nfs/dbraw/zinc/78/96/92/563789692.db2.gz	WLKCSMCLEKGITB-ZXJUKACESA-N	-1	0	318.457	4.964	40	0		DJABRM
CCCc1nc(CC(C)C)c(C(=O)[O-])cc1-c1ccccc1F	ZINC000257236459	563791720	/nfs/dbraw/zinc/79/17/20/563791720.db2.gz	HCHSPHUVQXOYSN-UHFFFAOYSA-N	-1	0	315.388	4.737	40	0		DJABRM
O=C([O-])c1sc2cc(SC(F)(F)F)ccc2c1Cl	ZINC000228940566	563914625	/nfs/dbraw/zinc/91/46/25/563914625.db2.gz	MHNOHSNVQSIVOU-UHFFFAOYSA-N	-1	0	312.721	4.865	40	0		DJABRM
O=C([O-])c1cccc2c1N[C@H](c1ccccc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21	ZINC000000117653	563920664	/nfs/dbraw/zinc/92/06/64/563920664.db2.gz	PDTXZAZUEFJOMH-AQQQZIQISA-N	-1	0	319.404	4.681	40	0		DJABRM
O=C([O-])[C@@H](Cc1cccc2ccccc21)Sc1ccccc1	ZINC000146074725	186038124	/nfs/dbraw/zinc/03/81/24/186038124.db2.gz	HOULWTGKVDHRIL-GOSISDBHSA-N	-1	0	308.402	4.628	40	0		DJABRM
[O-]c1c(Cl)cc(Cl)cc1Cc1cc(Cl)ccc1O	ZINC000001700181	180889034	/nfs/dbraw/zinc/88/90/34/180889034.db2.gz	IYRGELGEXONOMJ-UHFFFAOYSA-N	-1	0	303.572	4.649	40	0		DJABRM
O=C([O-])/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1	ZINC000003145494	180985726	/nfs/dbraw/zinc/98/57/26/180985726.db2.gz	YKOQTWDZPAYVDM-ZZXKWVIFSA-N	-1	0	316.662	4.717	40	0		DJABRM
O=C([O-])c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1	ZINC000073635336	191333989	/nfs/dbraw/zinc/33/39/89/191333989.db2.gz	NWZCPNFZLSSAHH-UHFFFAOYSA-N	-1	0	324.188	4.968	40	0		DJABRM
Cc1cccc2c1[C@@H]1c3c(C)cccc3[C@@H](CC(=O)[O-])C[C@@H]1CC2	ZINC000005742926	181279328	/nfs/dbraw/zinc/27/93/28/181279328.db2.gz	XWLULYBRJARUIE-GSHUGGBRSA-N	-1	0	320.432	4.960	40	0		DJABRM
S=C([N-]c1ccccc1)Sc1nc2ccccc2s1	ZINC000006045593	181308081	/nfs/dbraw/zinc/30/80/81/181308081.db2.gz	PCXMGZIXFOYZNW-UHFFFAOYSA-N	-1	0	302.449	4.785	40	0		DJABRM
O=C([O-])c1ccccc1SCc1c(Cl)cccc1Cl	ZINC000006222348	181321056	/nfs/dbraw/zinc/32/10/56/181321056.db2.gz	JOPUXPKCWATCEM-UHFFFAOYSA-N	-1	0	313.205	4.984	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2cc(C)ccc2C(C)=CC1(C)C	ZINC000223222856	201637082	/nfs/dbraw/zinc/63/70/82/201637082.db2.gz	HWYXCVVQZDSRFI-MRXNPFEDSA-N	-1	0	301.430	4.640	40	0		DJABRM
CCC[C@@H](C(=O)[O-])N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C	ZINC000223217186	201637831	/nfs/dbraw/zinc/63/78/31/201637831.db2.gz	JYWZGXMZCSXWQQ-HOCLYGCPSA-N	-1	0	303.446	4.649	40	0		DJABRM
CCCCN1c2cc(Cl)c(C(=O)[O-])cc2[C@@H](C)CC1(C)C	ZINC000223778323	201655934	/nfs/dbraw/zinc/65/59/34/201655934.db2.gz	YFMRREQJKAMUSI-NSHDSACASA-N	-1	0	309.837	4.931	40	0		DJABRM
Cc1cc(C)cc(O[C@@H](Cc2ccc(C(C)C)cc2)C(=O)[O-])c1	ZINC000225045615	201684331	/nfs/dbraw/zinc/68/43/31/201684331.db2.gz	BHWWKBXLEIXZAC-IBGZPJMESA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1ccc(S[C@@H](Cc2cc(Cl)ccc2C)C(=O)[O-])cc1	ZINC000225078247	201685608	/nfs/dbraw/zinc/68/56/08/201685608.db2.gz	YGNOALNEMVZZGL-INIZCTEOSA-N	-1	0	320.841	4.745	40	0		DJABRM
Cc1ccc(S[C@H](Cc2cccc(Cl)c2C)C(=O)[O-])cc1	ZINC000225072154	201685830	/nfs/dbraw/zinc/68/58/30/201685830.db2.gz	NVPLKTUZVFVMMQ-MRXNPFEDSA-N	-1	0	320.841	4.745	40	0		DJABRM
C[C@H](CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]21C)CC(=O)[O-]	ZINC000039738203	183021742	/nfs/dbraw/zinc/02/17/42/183021742.db2.gz	KHCCSRVJJDOANA-BUSATUKNSA-N	-1	0	324.505	4.871	40	0		DJABRM
Cc1cc(N)cc2sc([N-]c3nc4cc(C)c(C)cc4o3)nc21	ZINC000057352672	184034732	/nfs/dbraw/zinc/03/47/32/184034732.db2.gz	KJHHQJAJJPTJJE-UHFFFAOYSA-N	-1	0	324.409	4.689	40	0		DJABRM
Clc1ccc2nc([N-]c3nc4ccccc4o3)sc2c1	ZINC000057352531	184034904	/nfs/dbraw/zinc/03/49/04/184034904.db2.gz	VWWQUMNYLZQFCJ-UHFFFAOYSA-N	-1	0	301.758	4.835	40	0		DJABRM
Cc1cc2nc([N-]c3nc4ccc(F)cc4s3)oc2cc1C	ZINC000057352983	184035196	/nfs/dbraw/zinc/03/51/96/184035196.db2.gz	MUIUQAJTMLRUML-UHFFFAOYSA-N	-1	0	313.357	4.937	40	0		DJABRM
Cc1cc2nc([N-]c3nc4ccc(F)cc4s3)oc2c(C)c1	ZINC000057352981	184035447	/nfs/dbraw/zinc/03/54/47/184035447.db2.gz	GRBFWWUECUJEHY-UHFFFAOYSA-N	-1	0	313.357	4.937	40	0		DJABRM
Cc1cccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])c1C	ZINC000225024008	563746514	/nfs/dbraw/zinc/74/65/14/563746514.db2.gz	JXCLNXODAXZZJO-INIZCTEOSA-N	-1	0	320.841	4.745	40	0		DJABRM
C[C@H](c1ccccc1)C(C(=O)[O-])(c1ccccc1)c1ccccc1	ZINC000001679377	563290510	/nfs/dbraw/zinc/29/05/10/563290510.db2.gz	YZHQTGBTKACGSZ-QGZVFWFLSA-N	-1	0	316.400	4.861	40	0		DJABRM
CC(/C=C/C=C(\C)[C@H]1C=C2[C@](C)(CCCC2(C)C)O1)=C\C(=O)[O-]	ZINC000033840635	563445980	/nfs/dbraw/zinc/44/59/80/563445980.db2.gz	QDOSIDVGVRAXSE-NEZTZKLLSA-N	-1	0	316.441	4.814	40	0	in-vitro	DJABRM
CC(/C=C/C=C(\C)[C@@H]1C=C2[C@@](C)(CCCC2(C)C)O1)=C\C(=O)[O-]	ZINC000033840636	563446487	/nfs/dbraw/zinc/44/64/87/563446487.db2.gz	QDOSIDVGVRAXSE-VNBDLKDYSA-N	-1	0	316.441	4.814	40	0	in-vitro	DJABRM
CCCCCCC(=O)Nc1ccccc1SC(C)(C)C(=O)[O-]	ZINC000008732938	563644053	/nfs/dbraw/zinc/64/40/53/563644053.db2.gz	FASINUHTWPXJPS-UHFFFAOYSA-N	-1	0	323.458	4.551	40	0		DJABRM
Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2Cc1ccc(C(=O)[O-])o1	ZINC000223233382	563732399	/nfs/dbraw/zinc/73/23/99/563732399.db2.gz	SLSVDBGIGJXYSV-CYBMUJFWSA-N	-1	0	313.397	4.579	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2cc(C)ccc2C(C)=CC1(C)C	ZINC000223222796	563732538	/nfs/dbraw/zinc/73/25/38/563732538.db2.gz	HWYXCVVQZDSRFI-INIZCTEOSA-N	-1	0	301.430	4.640	40	0		DJABRM
Cc1cccc(C[C@H](Oc2cccc3ccccc32)C(=O)[O-])c1C	ZINC000225023615	563746090	/nfs/dbraw/zinc/74/60/90/563746090.db2.gz	SQLHXGCQECLLGW-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
CCCN(c1ccc(Oc2ccccc2)cc1)[C@@H](CC)C(=O)[O-]	ZINC000224999931	563746458	/nfs/dbraw/zinc/74/64/58/563746458.db2.gz	WDMCHUCDZWUVCX-SFHVURJKSA-N	-1	0	313.397	4.559	40	0		DJABRM
CCN(CCCC(=O)[O-])c1ccccc1Sc1ccccc1	ZINC000225004431	563746465	/nfs/dbraw/zinc/74/64/65/563746465.db2.gz	GLBJFJQZZWLRMV-UHFFFAOYSA-N	-1	0	315.438	4.529	40	0		DJABRM
Cc1cc(C)cc(C[C@H](Oc2ccc3ccccc3c2)C(=O)[O-])c1	ZINC000225037687	563746612	/nfs/dbraw/zinc/74/66/12/563746612.db2.gz	ORTXAOPATGTJOJ-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
CC/C=C\C/C=C\C/C=C\C[C@@H](O)/C=C/C=C\CCCC(=O)[O-]	ZINC000034961913	563795399	/nfs/dbraw/zinc/79/53/99/563795399.db2.gz	OXOPDAZWPWFJEW-JSCBEQPESA-N	-1	0	318.457	4.964	40	0	in-vitro	DJABRM
CC1=C(C(=O)[O-])[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)O1	ZINC000003058478	180979142	/nfs/dbraw/zinc/97/91/42/180979142.db2.gz	FURAOIUBEMAMNE-DLBZAZTESA-N	-1	0	314.768	4.554	40	0		DJABRM
O=C([O-])CCC(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000004995018	181187307	/nfs/dbraw/zinc/18/73/07/181187307.db2.gz	UGHIPOMCWKJUAO-UHFFFAOYSA-N	-1	0	316.400	4.886	40	0		DJABRM
CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)[O-])O2	ZINC000005854594	181289759	/nfs/dbraw/zinc/28/97/59/181289759.db2.gz	XLWWERNKTLITEF-JOCLIGHLSA-N	-1	0	320.473	4.952	40	0	biogenic,in-vitro	DJABRM
CCC[C@@H](C(=O)[O-])N1c2ccc(Cl)cc2C(C)=CC1(C)C	ZINC000223215476	201636901	/nfs/dbraw/zinc/63/69/01/201636901.db2.gz	ONPZIZFCGXGHRL-HNNXBMFYSA-N	-1	0	307.821	4.595	40	0		DJABRM
Cc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1C	ZINC000225035132	201683421	/nfs/dbraw/zinc/68/34/21/201683421.db2.gz	IGCKFABMJYUGQI-INIZCTEOSA-N	-1	0	320.841	4.745	40	0		DJABRM
O=C([O-])c1cccc(-c2cccc(F)c2)c1OCc1ccccc1	ZINC000257300943	203026376	/nfs/dbraw/zinc/02/63/76/203026376.db2.gz	RWIAWDMCRWRWDI-UHFFFAOYSA-N	-1	0	322.335	4.770	40	0		DJABRM
Cc1c(Cl)c([O-])c(Cl)c(C)c1NC(=O)c1ccccc1	ZINC000016807762	182061227	/nfs/dbraw/zinc/06/12/27/182061227.db2.gz	GYJIJGIPDCUTOF-UHFFFAOYSA-N	-1	0	310.180	4.568	40	0		DJABRM
CCOc1ccc(C(=O)[O-])cc1COc1ccc2ccccc2c1	ZINC000024549480	182383345	/nfs/dbraw/zinc/38/33/45/182383345.db2.gz	NHASNEQGCQFPOO-UHFFFAOYSA-N	-1	0	322.360	4.516	40	0		DJABRM
CC(C)c1ccc2oc([N-]c3nc4ccc(N)cc4s3)nc2c1	ZINC000057352651	184034869	/nfs/dbraw/zinc/03/48/69/184034869.db2.gz	KTQGOZYDPRJBQO-UHFFFAOYSA-N	-1	0	324.409	4.887	40	0		DJABRM
Fc1cccc(CSC(=S)[N-]c2ccc(F)c(F)c2)c1	ZINC000006511671	262512271	/nfs/dbraw/zinc/51/22/71/262512271.db2.gz	BFVRPOZJALVXOJ-UHFFFAOYSA-N	-1	0	313.369	4.734	40	0		DJABRM
CCCCN1c2cc(Cl)c(C(=O)[O-])cc2[C@H](C)CC1(C)C	ZINC000260725575	333592006	/nfs/dbraw/zinc/59/20/06/333592006.db2.gz	YFMRREQJKAMUSI-LLVKDONJSA-N	-1	0	309.837	4.931	40	0		DJABRM
CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C	ZINC000005447545	560202137	/nfs/dbraw/zinc/20/21/37/560202137.db2.gz	MSWJSDLNPCSSNW-MISYRCLQSA-N	-1	0	314.425	4.545	40	0	biogenic,in-vitro	DJABRM
O=C([O-])CCc1ccc(/C=C/C=C/C=C/c2ccccc2)cc1	ZINC000002565818	563309529	/nfs/dbraw/zinc/30/95/29/563309529.db2.gz	SINKVNIAFSCCOS-HOXLXQKJSA-N	-1	0	304.389	4.987	40	0		DJABRM
CC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000014449723	563401144	/nfs/dbraw/zinc/40/11/44/563401144.db2.gz	MCRJLMXYVFDXLS-UOLHMMFFSA-N	-1	0	318.457	4.964	40	0	endogenous,in-man	DJABRM
Cc1ccc(Cl)c2c(Nc3ccccc3C(=O)[O-])ccnc12	ZINC000078401472	563512414	/nfs/dbraw/zinc/51/24/14/563512414.db2.gz	OBYHOBRDRFIZTO-UHFFFAOYSA-N	-1	0	312.756	4.638	40	0		DJABRM
Cc1cc(Cl)cc2c(Nc3cccc(C(=O)[O-])c3)ccnc12	ZINC000078401468	563512581	/nfs/dbraw/zinc/51/25/81/563512581.db2.gz	YHMIEKZHGVNYOG-UHFFFAOYSA-N	-1	0	312.756	4.638	40	0		DJABRM
Cc1ccc(-c2cccc(C(=O)[O-])c2OCc2ccccc2)cc1	ZINC000585265790	563537059	/nfs/dbraw/zinc/53/70/59/563537059.db2.gz	QGHXKTKZZVZNPS-UHFFFAOYSA-N	-1	0	318.372	4.939	40	0		DJABRM
O=C([O-])CCc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	ZINC000216925131	563712270	/nfs/dbraw/zinc/71/22/70/563712270.db2.gz	OQMNIBNITSLDEV-UHFFFAOYSA-N	-1	0	319.571	4.924	40	0		DJABRM
CCC[C@H](C(=O)[O-])N1c2cc(C)c(C)cc2C(C)=CC1(C)C	ZINC000223215999	563731815	/nfs/dbraw/zinc/73/18/15/563731815.db2.gz	RHBAMKGNGGOYJC-MRXNPFEDSA-N	-1	0	301.430	4.559	40	0		DJABRM
CC(C)[C@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C	ZINC000223210089	563731860	/nfs/dbraw/zinc/73/18/60/563731860.db2.gz	HDIWSKKJCLSVEL-XHDPSFHLSA-N	-1	0	309.837	4.541	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2ccc(Cl)cc2C(C)=CC1(C)C	ZINC000223223237	563732285	/nfs/dbraw/zinc/73/22/85/563732285.db2.gz	AEAJSELGPXMWCF-INIZCTEOSA-N	-1	0	321.848	4.985	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2ccc(Cl)cc2C(C)=CC1(C)C	ZINC000223223299	563732483	/nfs/dbraw/zinc/73/24/83/563732483.db2.gz	AEAJSELGPXMWCF-MRXNPFEDSA-N	-1	0	321.848	4.985	40	0		DJABRM
Cc1cccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])c1C	ZINC000225023972	563746643	/nfs/dbraw/zinc/74/66/43/563746643.db2.gz	JXCLNXODAXZZJO-MRXNPFEDSA-N	-1	0	320.841	4.745	40	0		DJABRM
Cc1cccc(C)c1C[C@H](Oc1ccccc1C(C)C)C(=O)[O-]	ZINC000225031311	563746855	/nfs/dbraw/zinc/74/68/55/563746855.db2.gz	YEGVLYJDQQZZNQ-IBGZPJMESA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)[O-])cc1C	ZINC000225034152	563746933	/nfs/dbraw/zinc/74/69/33/563746933.db2.gz	KHKQWGGEQQXLDU-LJQANCHMSA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1cc(C)cc(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])c1	ZINC000225037968	563746946	/nfs/dbraw/zinc/74/69/46/563746946.db2.gz	GIDVCZNUQTZBLZ-INIZCTEOSA-N	-1	0	320.841	4.745	40	0		DJABRM
CC(C)c1ccccc1O[C@@H](Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000225059095	563747829	/nfs/dbraw/zinc/74/78/29/563747829.db2.gz	CPEDDORJNFZTLO-KRWDZBQOSA-N	-1	0	318.800	4.538	40	0		DJABRM
CC(C)c1ccccc1O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225061238	563747901	/nfs/dbraw/zinc/74/79/01/563747901.db2.gz	CUGKQYNTRWUICS-KRWDZBQOSA-N	-1	0	318.800	4.538	40	0		DJABRM
CCSc1ccccc1[N-]C(=S)Nc1ccc(F)cc1	ZINC000225459123	563755995	/nfs/dbraw/zinc/75/59/95/563755995.db2.gz	ZPAJNZQDKLEUOM-UHFFFAOYSA-N	-1	0	306.431	4.747	40	0		DJABRM
CCc1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000006944836	563921641	/nfs/dbraw/zinc/92/16/41/563921641.db2.gz	YDSJQAIWFJANLN-IIMJZQEZSA-N	-1	0	319.404	4.774	40	0		DJABRM
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000006962651	563921963	/nfs/dbraw/zinc/92/19/63/563921963.db2.gz	PMPWNXTZBCOVFP-AVYPCKFXSA-N	-1	0	319.404	4.828	40	0		DJABRM
O=C([O-])CCc1ccc(/C=C/C=C/C=C\c2ccccc2)cc1	ZINC000031416155	563922956	/nfs/dbraw/zinc/92/29/56/563922956.db2.gz	SINKVNIAFSCCOS-JMQHGYJVSA-N	-1	0	304.389	4.987	40	0		DJABRM
CC(/C=C/C1=C(C)[C@H](O)CCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000012496837	563926778	/nfs/dbraw/zinc/92/67/78/563926778.db2.gz	KGUMXGDKXYTTEY-GDFYBZLJSA-N	-1	0	316.441	4.573	40	0	endogenous,world	DJABRM
O=C([O-])/C=C/c1cccc(OCc2cccc3ccccc32)c1	ZINC000011799216	568417794	/nfs/dbraw/zinc/41/77/94/568417794.db2.gz	DYAQUUAZCIEJHY-VAWYXSNFSA-N	-1	0	304.345	4.517	40	0		DJABRM
CC(C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846413	181049111	/nfs/dbraw/zinc/04/91/11/181049111.db2.gz	ZOYYIVKKDFCYRI-UOVPBQLFSA-N	-1	0	316.441	4.509	40	0		DJABRM
O=C([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccccc1)N2	ZINC000003906218	181055615	/nfs/dbraw/zinc/05/56/15/181055615.db2.gz	PEIGAFLQZLAFNK-LZOZONPPSA-N	-1	0	319.404	4.681	40	0		DJABRM
CC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000004546876	181123264	/nfs/dbraw/zinc/12/32/64/181123264.db2.gz	WLKCSMCLEKGITB-MXTKCVSJSA-N	-1	0	318.457	4.964	40	0	in-vitro	DJABRM
O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)oc1C(F)(F)F	ZINC000005675780	181270790	/nfs/dbraw/zinc/27/07/90/181270790.db2.gz	UMUWHXLZKPSRLI-UHFFFAOYSA-N	-1	0	324.176	4.682	40	0		DJABRM
Cc1ccc(O)c(C(=O)CCCCCCCCCCC(=O)[O-])c1	ZINC000005744552	181280169	/nfs/dbraw/zinc/28/01/69/181280169.db2.gz	PAMIUGOLSOFDEK-UHFFFAOYSA-N	-1	0	320.429	4.869	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2ccc(C)cc2C(C)=CC1(C)C	ZINC000223223006	201637119	/nfs/dbraw/zinc/63/71/19/201637119.db2.gz	FUCAURGHCKTUEH-QGZVFWFLSA-N	-1	0	301.430	4.640	40	0		DJABRM
CCC[C@H](C(=O)[O-])N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C	ZINC000223217241	201637490	/nfs/dbraw/zinc/63/74/90/201637490.db2.gz	JYWZGXMZCSXWQQ-GOEBONIOSA-N	-1	0	303.446	4.649	40	0		DJABRM
CC[C@H](C(=O)[O-])N(CC)c1ccccc1Sc1ccccc1	ZINC000225004534	201682242	/nfs/dbraw/zinc/68/22/42/201682242.db2.gz	GVKXYTHFFQJMTE-OAHLLOKOSA-N	-1	0	315.438	4.527	40	0		DJABRM
Cc1ccc(O[C@@H](Cc2ccc(C(C)C)cc2)C(=O)[O-])cc1C	ZINC000225046381	201683453	/nfs/dbraw/zinc/68/34/53/201683453.db2.gz	DQSPFUIXVRYZNK-IBGZPJMESA-N	-1	0	312.409	4.502	40	0		DJABRM
O=C(Nc1ccc([S-])cc1)Nc1ccc(Cl)cc1Cl	ZINC000016428447	182044601	/nfs/dbraw/zinc/04/46/01/182044601.db2.gz	MMXNWPKXAPHMDQ-UHFFFAOYSA-N	-1	0	313.209	4.926	40	0		DJABRM
O=C([O-])/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2Cl)o1	ZINC000044214352	183398711	/nfs/dbraw/zinc/39/87/11/183398711.db2.gz	WGJTVYWGMSKEEP-ZZXKWVIFSA-N	-1	0	316.662	4.717	40	0		DJABRM
C[C@@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@@H]21)CC(=O)[O-]	ZINC000031157798	560090520	/nfs/dbraw/zinc/09/05/20/560090520.db2.gz	FVXAJZRADGVLQM-KXOXPVICSA-N	-1	0	322.489	4.649	40	0	biogenic,in-vitro	DJABRM
O=C([O-])c1ccc(-c2ccc(-c3nc4ccccc4s3)o2)cc1	ZINC000000366549	563245838	/nfs/dbraw/zinc/24/58/38/563245838.db2.gz	UVFZKZVZJMYHOA-UHFFFAOYSA-N	-1	0	321.357	4.922	40	0		DJABRM
Cc1cc(Cl)ccc1C(=O)c1ccc2ccccc2c1C(=O)[O-]	ZINC000001626400	563288790	/nfs/dbraw/zinc/28/87/90/563288790.db2.gz	QDRKMWOENMBRNY-UHFFFAOYSA-N	-1	0	324.763	4.731	40	0		DJABRM
O=C([O-])c1ccccc1CCc1ccc2c(c1)Cc1ccccc1-2	ZINC000001713730	563293154	/nfs/dbraw/zinc/29/31/54/563293154.db2.gz	KZZSIKAMYOGWHM-UHFFFAOYSA-N	-1	0	314.384	4.741	40	0		DJABRM
CC/C=C/C/C=C/C=C/[C@H](O)C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000014449719	563401210	/nfs/dbraw/zinc/40/12/10/563401210.db2.gz	IDEHSDHMEMMYIR-YRGLVIOKSA-N	-1	0	318.457	4.964	40	0		DJABRM
CC(C)[Si](c1c(F)cc(C(=O)[O-])cc1F)(C(C)C)C(C)C	ZINC000196078815	563679729	/nfs/dbraw/zinc/67/97/29/563679729.db2.gz	FISCRKLKYWQUPA-UHFFFAOYSA-N	-1	0	314.448	4.549	40	0		DJABRM
Cc1cccc(C)c1C[C@H](Oc1ccc2ccccc2c1)C(=O)[O-]	ZINC000225032023	563746883	/nfs/dbraw/zinc/74/68/83/563746883.db2.gz	YLXBWZXROCHJIO-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1cccc(C)c1C[C@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225032294	563746896	/nfs/dbraw/zinc/74/68/96/563746896.db2.gz	YXCJJNJWJSMRLZ-INIZCTEOSA-N	-1	0	320.841	4.745	40	0		DJABRM
Cc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])c(C)c1	ZINC000225026880	563746956	/nfs/dbraw/zinc/74/69/56/563746956.db2.gz	LJJOTPIAJUNVEP-INIZCTEOSA-N	-1	0	320.841	4.745	40	0		DJABRM
CC(C)c1ccc(C[C@@H](Sc2ccccc2)C(=O)[O-])cc1	ZINC000225046693	563747252	/nfs/dbraw/zinc/74/72/52/563747252.db2.gz	JQHXXHBGXFZOMN-QGZVFWFLSA-N	-1	0	300.423	4.598	40	0		DJABRM
Cc1ccc(S[C@H](Cc2ccc(C(C)C)cc2)C(=O)[O-])cc1	ZINC000225046828	563747296	/nfs/dbraw/zinc/74/72/96/563747296.db2.gz	KUWVZUOSFHUHDI-GOSISDBHSA-N	-1	0	314.450	4.906	40	0		DJABRM
Cc1ccc(S[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1	ZINC000225049499	563747372	/nfs/dbraw/zinc/74/73/72/563747372.db2.gz	SLCKOEQFSXNMBY-LJQANCHMSA-N	-1	0	322.429	4.936	40	0		DJABRM
Cc1ccc(O[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc1C	ZINC000225049185	563747540	/nfs/dbraw/zinc/74/75/40/563747540.db2.gz	JCHQPFLTYOCAPW-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
CCCN(c1ccccc1Oc1ccccc1)[C@H](CC)C(=O)[O-]	ZINC000260677463	563775230	/nfs/dbraw/zinc/77/52/30/563775230.db2.gz	FZVIPSSMWPIANT-MRXNPFEDSA-N	-1	0	313.397	4.559	40	0		DJABRM
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C([O-])c1cccc2ccccc21	ZINC000245240698	563780516	/nfs/dbraw/zinc/78/05/16/563780516.db2.gz	RQYSFOKBYGSJJV-CSODHUTKSA-N	-1	0	306.405	4.664	40	0		DJABRM
Cc1c(C(=O)[O-])c2ccccc2n1Cc1cccc2ccccc21	ZINC000216947595	563859325	/nfs/dbraw/zinc/85/93/25/563859325.db2.gz	NEXYLLLZNZPGOI-UHFFFAOYSA-N	-1	0	315.372	4.849	40	0		DJABRM
O=C([O-])c1ccccc1-c1csc(-c2ccc(Cl)cc2)n1	ZINC000026509771	563866046	/nfs/dbraw/zinc/86/60/46/563866046.db2.gz	PYDWXRGGJLULGB-UHFFFAOYSA-N	-1	0	315.781	4.829	40	0		DJABRM
Nc1cc(C(=O)[O-])ccc1Nc1ccc(Oc2ccccc2)cc1	ZINC000225322651	563914633	/nfs/dbraw/zinc/91/46/33/563914633.db2.gz	LCAXPLRIKCJPGD-UHFFFAOYSA-N	-1	0	320.348	4.503	40	0		DJABRM
CC/C=C\C/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000033820503	568412924	/nfs/dbraw/zinc/41/29/24/568412924.db2.gz	IDEHSDHMEMMYIR-DJWFCICMSA-N	-1	0	318.457	4.964	40	0	endogenous,in-man	DJABRM
CC(/C=C/C1=C(CO)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000030731379	571742754	/nfs/dbraw/zinc/74/27/54/571742754.db2.gz	XSJOIRFEYHJNAW-FCKHSPHMSA-N	-1	0	316.441	4.575	40	0	endogenous,world	DJABRM
O=C([O-])[C@H](Cc1cccc2ccccc21)Sc1ccccc1	ZINC000146074933	186038015	/nfs/dbraw/zinc/03/80/15/186038015.db2.gz	HOULWTGKVDHRIL-SFHVURJKSA-N	-1	0	308.402	4.628	40	0		DJABRM
CC(C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846411	181049428	/nfs/dbraw/zinc/04/94/28/181049428.db2.gz	ZOYYIVKKDFCYRI-CWLKWCNXSA-N	-1	0	316.441	4.509	40	0		DJABRM
Cc1ccc(S[C@@H](Cc2cccc(Cl)c2C)C(=O)[O-])cc1	ZINC000225072115	201685729	/nfs/dbraw/zinc/68/57/29/201685729.db2.gz	NVPLKTUZVFVMMQ-INIZCTEOSA-N	-1	0	320.841	4.745	40	0		DJABRM
CCCCc1ccc(C[C@@H](Sc2ccccc2)C(=O)[O-])cc1	ZINC000225129359	201687525	/nfs/dbraw/zinc/68/75/25/201687525.db2.gz	WZRGDJYAKQVTBT-GOSISDBHSA-N	-1	0	314.450	4.817	40	0		DJABRM
Cc1ccccc1Oc1ccc(NCc2ccc(C(=O)[O-])o2)cc1	ZINC000008702222	181575162	/nfs/dbraw/zinc/57/51/62/181575162.db2.gz	ZBRQJKCFEDNPTG-UHFFFAOYSA-N	-1	0	323.348	4.691	40	0		DJABRM
CC(/C=C/[C@]12O[C@@]1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000030731384	182596462	/nfs/dbraw/zinc/59/64/62/182596462.db2.gz	KEEHJLBAOLGBJZ-OYJLHWFVSA-N	-1	0	316.441	4.814	40	0	endogenous,world	DJABRM
CCc1ccc2oc([N-]c3nc4c(cc(N)cc4C)s3)nc2c1	ZINC000057352669	184034681	/nfs/dbraw/zinc/03/46/81/184034681.db2.gz	YRIDFNQFDJKZEZ-UHFFFAOYSA-N	-1	0	324.409	4.634	40	0		DJABRM
Cc1cc2nc([N-]c3nc4c(cc(C)cc4N)s3)oc2c(C)c1	ZINC000057352554	184034898	/nfs/dbraw/zinc/03/48/98/184034898.db2.gz	LHICWHJNOMLZJN-UHFFFAOYSA-N	-1	0	324.409	4.689	40	0		DJABRM
Cc1ccc2nc([N-]c3nc4ccc(F)cc4s3)oc2c1C	ZINC000057352979	184035282	/nfs/dbraw/zinc/03/52/82/184035282.db2.gz	QJFYXUPUNMUMOL-UHFFFAOYSA-N	-1	0	313.357	4.937	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2ccc(F)cc2[C@H](C)CC1(C)C	ZINC000260616172	333424940	/nfs/dbraw/zinc/42/49/40/333424940.db2.gz	GGSNENHBSBMIQD-MLGOLLRUSA-N	-1	0	307.409	4.561	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2ccc(C)cc2[C@H](C)CC1(C)C	ZINC000260613206	333424952	/nfs/dbraw/zinc/42/49/52/333424952.db2.gz	DORUNDIXZYGZPK-RHSMWYFYSA-N	-1	0	303.446	4.731	40	0		DJABRM
CC(C)[C@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@H](C)CC1(C)C	ZINC000260616223	333424979	/nfs/dbraw/zinc/42/49/79/333424979.db2.gz	HDIWSKKJCLSVEL-IAQYHMDHSA-N	-1	0	309.837	4.541	40	0		DJABRM
O=C([O-])c1cc2ccc(Cl)cc2c(O)c1C1=CCCCC1	ZINC000001630694	563288768	/nfs/dbraw/zinc/28/87/68/563288768.db2.gz	ICUXOWOKYWQNSI-UHFFFAOYSA-N	-1	0	302.757	4.854	40	0		DJABRM
COc1cccc(CCCCCCc2ccccc2)c1C(=O)[O-]	ZINC000035973640	563454188	/nfs/dbraw/zinc/45/41/88/563454188.db2.gz	VHNNPYCCQIFODV-UHFFFAOYSA-N	-1	0	312.409	4.739	40	0		DJABRM
C=C(c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)OC2(C)C	ZINC000096171654	563535359	/nfs/dbraw/zinc/53/53/59/563535359.db2.gz	BYUKRUWNAQMFNJ-UHFFFAOYSA-N	-1	0	322.404	4.947	40	0		DJABRM
CCc1nc(C(C)C)c(-c2cccc(Cl)c2)cc1C(=O)[O-]	ZINC000585265647	563537310	/nfs/dbraw/zinc/53/73/10/563537310.db2.gz	WLAMBSRLOBOUAS-UHFFFAOYSA-N	-1	0	303.789	4.786	40	0		DJABRM
Cc1oc(COc2ccc3oc4ccccc4c3c2)cc1C(=O)[O-]	ZINC000003165857	563635876	/nfs/dbraw/zinc/63/58/76/563635876.db2.gz	QSEDGTGJOXCNTD-UHFFFAOYSA-N	-1	0	322.316	4.765	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2ccc(C)cc2[C@@H](C)CC1(C)C	ZINC000223224319	563732472	/nfs/dbraw/zinc/73/24/72/563732472.db2.gz	DORUNDIXZYGZPK-WMLDXEAASA-N	-1	0	303.446	4.731	40	0		DJABRM
CCOc1ccc(C(=O)[O-])cc1CSc1ccc(Cl)cc1	ZINC000224669281	563743696	/nfs/dbraw/zinc/74/36/96/563743696.db2.gz	SUKIDOSOXZBILO-UHFFFAOYSA-N	-1	0	322.813	4.729	40	0		DJABRM
Cc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)[O-])c(C)c1	ZINC000225026586	563746754	/nfs/dbraw/zinc/74/67/54/563746754.db2.gz	KUXBFFTZMNCXDR-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1cc(C)cc(O[C@H](Cc2ccc(C(C)C)cc2)C(=O)[O-])c1	ZINC000225045647	563747563	/nfs/dbraw/zinc/74/75/63/563747563.db2.gz	BHWWKBXLEIXZAC-LJQANCHMSA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1ccccc1-n1nc(C(=O)[O-])cc1-c1ccc(C(C)C)cc1	ZINC000059472447	563771173	/nfs/dbraw/zinc/77/11/73/563771173.db2.gz	VIANYWCSQSVOCX-UHFFFAOYSA-N	-1	0	320.392	4.669	40	0		DJABRM
CC[C@H](O)/C=C/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)[O-]	ZINC000256078962	563789759	/nfs/dbraw/zinc/78/97/59/563789759.db2.gz	LRWYBGFSVUBWMO-GPGHQAASSA-N	-1	0	318.457	4.964	40	0		DJABRM
CC/C=C/C[C@H](O)/C=C/C=C/C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000256080150	563789858	/nfs/dbraw/zinc/78/98/58/563789858.db2.gz	WLKCSMCLEKGITB-SUZPHYCNSA-N	-1	0	318.457	4.964	40	0		DJABRM
O=C([O-])c1cc(-c2ccccc2)[nH]c1-c1nccc2ccccc21	ZINC000001705897	563895825	/nfs/dbraw/zinc/89/58/25/563895825.db2.gz	FPTGQTCZJSTGLL-UHFFFAOYSA-N	-1	0	314.344	4.595	40	0		DJABRM
Nc1cc(C(=O)[O-])ccc1Nc1ccccc1Oc1ccccc1	ZINC000225323248	563914577	/nfs/dbraw/zinc/91/45/77/563914577.db2.gz	UKYZYLXKJZXFJH-UHFFFAOYSA-N	-1	0	320.348	4.503	40	0		DJABRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	ZINC000006965681	563921980	/nfs/dbraw/zinc/92/19/80/563921980.db2.gz	RLZNBEGYISLJLI-YZVOILCLSA-N	-1	0	323.367	4.659	40	0		DJABRM
Cc1ccc2c(c1C)N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000006967087	563921996	/nfs/dbraw/zinc/92/19/96/563921996.db2.gz	DZZJDJHSANKVNI-AVYPCKFXSA-N	-1	0	319.404	4.828	40	0		DJABRM
CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@](C)(C(=O)[O-])CCC[C@]21C	ZINC000013302310	563929371	/nfs/dbraw/zinc/92/93/71/563929371.db2.gz	MSWJSDLNPCSSNW-DFQSSKMNSA-N	-1	0	314.425	4.545	40	0	biogenic,in-vitro	DJABRM
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[O-])c(C)c1	ZINC000095097110	563930876	/nfs/dbraw/zinc/93/08/76/563930876.db2.gz	XMULPGAJNFPDQP-UHFFFAOYSA-N	-1	0	323.417	4.721	40	0		DJABRM
CC1=C(C(=O)[O-])[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)O1	ZINC000003058480	563941801	/nfs/dbraw/zinc/94/18/01/563941801.db2.gz	FURAOIUBEMAMNE-IRXDYDNUSA-N	-1	0	314.768	4.554	40	0		DJABRM
O=C([O-])c1cccc2c1N[C@@H](c1ccccc1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]21	ZINC000169704893	197746951	/nfs/dbraw/zinc/74/69/51/197746951.db2.gz	PDTXZAZUEFJOMH-ITOHMHRPSA-N	-1	0	319.404	4.681	40	0		DJABRM
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]21C	ZINC000001506211	180870722	/nfs/dbraw/zinc/87/07/22/180870722.db2.gz	NFWKVWVWBFBAOV-YZGWKJHDSA-N	-1	0	300.442	4.905	40	0		DJABRM
C[C@H](CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]12C)CC(=O)[O-]	ZINC000003846931	181049228	/nfs/dbraw/zinc/04/92/28/181049228.db2.gz	KHCCSRVJJDOANA-KMJHBWPFSA-N	-1	0	324.505	4.871	40	0		DJABRM
Fc1ccc2nc([N-]c3nc4c(s3)CCCC4)sc2c1	ZINC000004099216	181072617	/nfs/dbraw/zinc/07/26/17/181072617.db2.gz	IFYFISZNXVWBMG-UHFFFAOYSA-N	-1	0	305.403	4.514	40	0		DJABRM
CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@]2(C)CCC[C@]1(C)C(=O)[O-]	ZINC000075906045	191536759	/nfs/dbraw/zinc/53/67/59/191536759.db2.gz	MSWJSDLNPCSSNW-IHPCNDPISA-N	-1	0	314.425	4.545	40	0	biogenic,in-vitro	DJABRM
Cc1cccc(-n2nc(C(=O)[O-])cc2-c2ccc(C(C)C)cc2)c1	ZINC000005602886	181262247	/nfs/dbraw/zinc/26/22/47/181262247.db2.gz	WXOWBZHTERXTAN-UHFFFAOYSA-N	-1	0	320.392	4.669	40	0		DJABRM
S=C1[N-]c2cnc3ccccc3c2S[C@@H]1c1ccccc1	ZINC000005741743	181279154	/nfs/dbraw/zinc/27/91/54/181279154.db2.gz	MKPMXLAYKDWWLV-OAHLLOKOSA-N	-1	0	308.431	4.821	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2ccc(F)cc2[C@@H](C)CC1(C)C	ZINC000223224740	201637746	/nfs/dbraw/zinc/63/77/46/201637746.db2.gz	GGSNENHBSBMIQD-BLLLJJGKSA-N	-1	0	307.409	4.561	40	0		DJABRM
CC(/C=C/C=C(\C)[C@@H]1C=C2[C@](C)(CCCC2(C)C)O1)=C\C(=O)[O-]	ZINC000033840634	182723157	/nfs/dbraw/zinc/72/31/57/182723157.db2.gz	QDOSIDVGVRAXSE-ZNDGWUNISA-N	-1	0	316.441	4.814	40	0	in-vitro	DJABRM
CC(/C=C/C=C(C)\C=C\C1=C(C)[C@@H](O)CCC1(C)C)=C\C(=O)[O-]	ZINC000038600373	183003495	/nfs/dbraw/zinc/00/34/95/183003495.db2.gz	KGUMXGDKXYTTEY-MUPIKSKISA-N	-1	0	316.441	4.573	40	0	in-vitro	DJABRM
Clc1ccc2sc([N-]c3nc4ccccc4o3)nc2c1	ZINC000057352532	184034872	/nfs/dbraw/zinc/03/48/72/184034872.db2.gz	QHHOXVIDBPIXNL-UHFFFAOYSA-N	-1	0	301.758	4.835	40	0		DJABRM
Cc1cc2nc([N-]c3nc4c(cc(N)cc4C)s3)oc2c(C)c1	ZINC000057352673	184034914	/nfs/dbraw/zinc/03/49/14/184034914.db2.gz	AWGXGRMNNQZYJJ-UHFFFAOYSA-N	-1	0	324.409	4.689	40	0		DJABRM
Fc1ccc2nc([N-]c3nc4cc(Cl)ccc4o3)sc2c1	ZINC000057352968	184035137	/nfs/dbraw/zinc/03/51/37/184035137.db2.gz	ZXFQXFYRULZBBO-UHFFFAOYSA-N	-1	0	319.748	4.974	40	0		DJABRM
CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)[O-]	ZINC000005758272	256519359	/nfs/dbraw/zinc/51/93/59/256519359.db2.gz	ZICLWBMRDQUIDO-UHFFFAOYSA-N	-1	0	306.402	4.538	40	0	in-vitro	DJABRM
O=C([O-])c1sc2c(c1Cl)c(C(F)(F)F)ccc2Cl	ZINC000228942937	257214569	/nfs/dbraw/zinc/21/45/69/257214569.db2.gz	MMHHAVFRYLOMTM-UHFFFAOYSA-N	-1	0	315.099	4.925	40	0		DJABRM
CCCN(c1ccccc1Sc1ccccc1)[C@H](C)C(=O)[O-]	ZINC000260677652	333519175	/nfs/dbraw/zinc/51/91/75/333519175.db2.gz	JRQAJVYWIDFVJA-CQSZACIVSA-N	-1	0	315.438	4.527	40	0		DJABRM
O=C(Nc1ccc([S-])cc1)Nc1ccc(Cl)c(Cl)c1	ZINC000016428426	563411969	/nfs/dbraw/zinc/41/19/69/563411969.db2.gz	OUBPZBAUCWGQHY-UHFFFAOYSA-N	-1	0	313.209	4.926	40	0		DJABRM
Cc1cc(Cl)cc2c(Nc3ccccc3C(=O)[O-])ccnc12	ZINC000078401471	563512754	/nfs/dbraw/zinc/51/27/54/563512754.db2.gz	IJYHAUTUEGJRNL-UHFFFAOYSA-N	-1	0	312.756	4.638	40	0		DJABRM
C[C@H](CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]21C)CC(=O)[O-]	ZINC000095100256	563529091	/nfs/dbraw/zinc/52/90/91/563529091.db2.gz	KHCCSRVJJDOANA-AOHSKODXSA-N	-1	0	324.505	4.871	40	0		DJABRM
Cc1ccc2c(c1C)N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000006967100	563597015	/nfs/dbraw/zinc/59/70/15/563597015.db2.gz	DZZJDJHSANKVNI-MDOVXXIYSA-N	-1	0	319.404	4.828	40	0		DJABRM
CSc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1	ZINC000001004287	563633176	/nfs/dbraw/zinc/63/31/76/563633176.db2.gz	JUYYXEIHVDDUTL-UHFFFAOYSA-N	-1	0	309.390	4.630	40	0		DJABRM
Cc1c2cc(C)ccc2n(Cc2cccc(Cl)c2)c1C(=O)[O-]	ZINC000585267664	563637809	/nfs/dbraw/zinc/63/78/09/563637809.db2.gz	SIGJCTQNANPGNB-UHFFFAOYSA-N	-1	0	313.784	4.658	40	0		DJABRM
CCC[C@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C	ZINC000223216822	563731872	/nfs/dbraw/zinc/73/18/72/563731872.db2.gz	DLRCWTSHAAQTOX-XHDPSFHLSA-N	-1	0	309.837	4.686	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2c(C)cccc2[C@@H](C)CC1(C)C	ZINC000223224469	563732501	/nfs/dbraw/zinc/73/25/01/563732501.db2.gz	ILLBLMVFCCQQDK-GOEBONIOSA-N	-1	0	303.446	4.731	40	0		DJABRM
Cc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)[O-])cc1C	ZINC000225034810	563746548	/nfs/dbraw/zinc/74/65/48/563746548.db2.gz	NYTQMKWRTYKOSU-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1cccc(C)c1C[C@@H](Oc1ccccc1C(C)C)C(=O)[O-]	ZINC000225031273	563746914	/nfs/dbraw/zinc/74/69/14/563746914.db2.gz	YEGVLYJDQQZZNQ-LJQANCHMSA-N	-1	0	312.409	4.502	40	0		DJABRM
Cc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])c(C)c1	ZINC000225026828	563746938	/nfs/dbraw/zinc/74/69/38/563746938.db2.gz	LJJOTPIAJUNVEP-MRXNPFEDSA-N	-1	0	320.841	4.745	40	0		DJABRM
Cc1cccc(C)c1C[C@@H](Oc1ccc2ccccc2c1)C(=O)[O-]	ZINC000225031988	563746951	/nfs/dbraw/zinc/74/69/51/563746951.db2.gz	YLXBWZXROCHJIO-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
CC(C)c1ccccc1O[C@H](Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000225059132	563747978	/nfs/dbraw/zinc/74/79/78/563747978.db2.gz	CPEDDORJNFZTLO-QGZVFWFLSA-N	-1	0	318.800	4.538	40	0		DJABRM
Cc1ccc(S[C@@H](Cc2ccc(Cl)cc2C)C(=O)[O-])cc1	ZINC000225075527	563747982	/nfs/dbraw/zinc/74/79/82/563747982.db2.gz	LCMGYWGOXHMTRI-INIZCTEOSA-N	-1	0	320.841	4.745	40	0		DJABRM
O=C([O-])C1=C(c2ccccc2)C1(c1ccccc1)c1ccccc1	ZINC000033499819	563769963	/nfs/dbraw/zinc/76/99/63/563769963.db2.gz	ZQXIUHBLTWLRON-UHFFFAOYSA-N	-1	0	312.368	4.525	40	0		DJABRM
O=C([O-])c1ccccc1SCc1ccc(Cl)c(Cl)c1	ZINC000006884503	563846155	/nfs/dbraw/zinc/84/61/55/563846155.db2.gz	FKRTWCFFXQWRCJ-UHFFFAOYSA-N	-1	0	313.205	4.984	40	0	in-vitro	DJABRM
CCCCn1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1	ZINC000006430080	563921417	/nfs/dbraw/zinc/92/14/17/563921417.db2.gz	YABUWRGOBLZOKS-UHFFFAOYSA-N	-1	0	305.805	4.626	40	0		DJABRM
O=C([O-])c1cccc2c1N[C@H](c1ccccc1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]21	ZINC000169704895	197747274	/nfs/dbraw/zinc/74/72/74/197747274.db2.gz	PDTXZAZUEFJOMH-HLULTAIVSA-N	-1	0	319.404	4.681	40	0		DJABRM
CC/C=C/C/C=C/C[C@H](O)/C=C/C=C/C/C=C\CCCC(=O)[O-]	ZINC000150373568	186056666	/nfs/dbraw/zinc/05/66/66/186056666.db2.gz	MCRJLMXYVFDXLS-ZJAWCENMSA-N	-1	0	318.457	4.964	40	0		DJABRM
O=C([O-])[C@H](c1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1	ZINC000001621944	180880166	/nfs/dbraw/zinc/88/01/66/180880166.db2.gz	PAIMKQZXMVKNGS-LEWJYISDSA-N	-1	0	316.400	4.881	40	0		DJABRM
Cc1cc(Cl)cc2c(Nc3ccc(C(=O)[O-])cc3)ccnc12	ZINC000078401466	191857660	/nfs/dbraw/zinc/85/76/60/191857660.db2.gz	FSJZDHOKOLLQPU-UHFFFAOYSA-N	-1	0	312.756	4.638	40	0		DJABRM
CCN(C(=O)[O-])c1ccc(/C=C\c2ccnc3ccccc23)cc1	ZINC000005495462	181249951	/nfs/dbraw/zinc/24/99/51/181249951.db2.gz	KNOPOWBPFZVTPM-YFHOEESVSA-N	-1	0	318.376	4.910	40	0		DJABRM
O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cccs1	ZINC000005770509	181282302	/nfs/dbraw/zinc/28/23/02/181282302.db2.gz	PWRVYDMVRAPUBS-UHFFFAOYSA-N	-1	0	322.600	4.666	40	0		DJABRM
O=c1oc2c(-c3ccccc3)cccc2c([O-])c1-c1ccccc1	ZINC000006575897	181356322	/nfs/dbraw/zinc/35/63/22/181356322.db2.gz	KHZAWTVDPWVVBY-UHFFFAOYSA-N	-1	0	314.340	4.833	40	0		DJABRM
CC(C)c1ccccc1O[C@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225061272	201684782	/nfs/dbraw/zinc/68/47/82/201684782.db2.gz	CUGKQYNTRWUICS-QGZVFWFLSA-N	-1	0	318.800	4.538	40	0		DJABRM
CC(C)c1ccccc1O[C@H](Cc1ccccc1Cl)C(=O)[O-]	ZINC000225056529	201685747	/nfs/dbraw/zinc/68/57/47/201685747.db2.gz	MLBYGQWJZYPXFO-QGZVFWFLSA-N	-1	0	318.800	4.538	40	0		DJABRM
Cc1c(Cl)cc(NC(=O)Nc2ccccc2)c([O-])c1Cl	ZINC000016249855	182038865	/nfs/dbraw/zinc/03/88/65/182038865.db2.gz	DBFZODVCRWVREQ-UHFFFAOYSA-N	-1	0	311.168	4.651	40	0		DJABRM
CC(/C=C/C=C(\C)[C@H]1C=C2[C@@](C)(CCCC2(C)C)O1)=C\C(=O)[O-]	ZINC000033840637	182723551	/nfs/dbraw/zinc/72/35/51/182723551.db2.gz	QDOSIDVGVRAXSE-JHTCMBESSA-N	-1	0	316.441	4.814	40	0	in-vitro	DJABRM
CCOc1ccc2nc([N-]c3nc4ccccc4o3)sc2c1	ZINC000057352536	184034874	/nfs/dbraw/zinc/03/48/74/184034874.db2.gz	MPVUWWLJNQDIDW-UHFFFAOYSA-N	-1	0	311.366	4.580	40	0		DJABRM
CCC[C@H](C(=O)[O-])N1c2ccc(Cl)cc2[C@H](C)CC1(C)C	ZINC000260613186	333424927	/nfs/dbraw/zinc/42/49/27/333424927.db2.gz	DLRCWTSHAAQTOX-IAQYHMDHSA-N	-1	0	309.837	4.686	40	0		DJABRM
CCCC[C@H](C(=O)[O-])N1c2cc(C)ccc2[C@H](C)CC1(C)C	ZINC000260613208	333424982	/nfs/dbraw/zinc/42/49/82/333424982.db2.gz	DPBMGAGSUAANJM-GDBMZVCRSA-N	-1	0	303.446	4.731	40	0		DJABRM
O=C(Nc1cc(Cl)c([O-])c(Cl)c1Cl)c1ccccc1	ZINC000003077172	563321375	/nfs/dbraw/zinc/32/13/75/563321375.db2.gz	XHFPPUNUWWWPRK-UHFFFAOYSA-N	-1	0	316.571	4.605	40	0		DJABRM
CC/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000014449721	563401169	/nfs/dbraw/zinc/40/11/69/563401169.db2.gz	MCRJLMXYVFDXLS-IHWYZUJNSA-N	-1	0	318.457	4.964	40	0	endogenous,in-man	DJABRM
O=C([O-])CCCCC(c1ccc(F)cc1)c1ccc(F)cc1	ZINC000113040193	563527652	/nfs/dbraw/zinc/52/76/52/563527652.db2.gz	KZVMSFVXRMZDSY-UHFFFAOYSA-N	-1	0	304.336	4.742	40	0		DJABRM
O=C([O-])c1c(OCc2ccccc2Cl)ccc2ccccc21	ZINC000011893015	563650808	/nfs/dbraw/zinc/65/08/08/563650808.db2.gz	RKCDMUBCDNTBLE-UHFFFAOYSA-N	-1	0	312.752	4.770	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2ccc(F)cc2[C@@H](C)CC1(C)C	ZINC000223224688	563732330	/nfs/dbraw/zinc/73/23/30/563732330.db2.gz	GGSNENHBSBMIQD-LRDDRELGSA-N	-1	0	307.409	4.561	40	0		DJABRM
CCCN(c1ccccc1Oc1ccccc1)[C@@H](CC)C(=O)[O-]	ZINC000225006870	563746406	/nfs/dbraw/zinc/74/64/06/563746406.db2.gz	FZVIPSSMWPIANT-INIZCTEOSA-N	-1	0	313.397	4.559	40	0		DJABRM
Cc1ccc(C)c(C[C@@H](Oc2ccc3ccccc3c2)C(=O)[O-])c1	ZINC000225029276	563746744	/nfs/dbraw/zinc/74/67/44/563746744.db2.gz	OSNGYKLYKIYZOK-HXUWFJFHSA-N	-1	0	320.388	4.531	40	0		DJABRM
Cc1cc(C)cc(C[C@H](Oc2ccccc2C(C)C)C(=O)[O-])c1	ZINC000225037032	563746759	/nfs/dbraw/zinc/74/67/59/563746759.db2.gz	LRTXIBGHSOITDG-IBGZPJMESA-N	-1	0	312.409	4.502	40	0		DJABRM
CC(C)c1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000225045355	563747341	/nfs/dbraw/zinc/74/73/41/563747341.db2.gz	BHDXFOPKQXLENP-QGZVFWFLSA-N	-1	0	318.800	4.538	40	0		DJABRM
Cc1ccc(S[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc1	ZINC000225049459	563747535	/nfs/dbraw/zinc/74/75/35/563747535.db2.gz	SLCKOEQFSXNMBY-IBGZPJMESA-N	-1	0	322.429	4.936	40	0		DJABRM
Cc1ccc(S[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)[O-])cc1	ZINC000225080974	563748502	/nfs/dbraw/zinc/74/85/02/563748502.db2.gz	QOWZKAZACBCOMB-INIZCTEOSA-N	-1	0	320.841	4.745	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2ccc(F)cc2[C@H](C)CC1(C)C	ZINC000260616175	563772308	/nfs/dbraw/zinc/77/23/08/563772308.db2.gz	GGSNENHBSBMIQD-WBMJQRKESA-N	-1	0	307.409	4.561	40	0		DJABRM
O=C([O-])c1cc2c(cccc2Cl)n1CCC1CCCCC1	ZINC000585267374	563782292	/nfs/dbraw/zinc/78/22/92/563782292.db2.gz	LMXKGJBYSNILSE-UHFFFAOYSA-N	-1	0	305.805	4.963	40	0		DJABRM
CC/C=C/C/C=C/C=C/[C@H](O)C/C=C/C/C=C\CCCC(=O)[O-]	ZINC000256078663	563789766	/nfs/dbraw/zinc/78/97/66/563789766.db2.gz	IDEHSDHMEMMYIR-LQOSXXJMSA-N	-1	0	318.457	4.964	40	0		DJABRM
CC(C)c1nc(C(C)C)c(-c2ccccc2F)cc1C(=O)[O-]	ZINC000257238722	563791881	/nfs/dbraw/zinc/79/18/81/563791881.db2.gz	HMGPNTFOEDCOEV-UHFFFAOYSA-N	-1	0	301.361	4.833	40	0		DJABRM
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)[O-])N2	ZINC000006967023	563921983	/nfs/dbraw/zinc/92/19/83/563921983.db2.gz	GLPHKBXBGJWGOG-BIENJYKASA-N	-1	0	305.377	4.520	40	0		DJABRM
CC/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCC(=O)[O-]	ZINC000027643076	563927242	/nfs/dbraw/zinc/92/72/42/563927242.db2.gz	WLOUCHKFBGGNEB-CLXNAOOQSA-N	-1	0	318.457	4.964	40	0	in-vitro	DJABRM
C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@@H]21)CC(=O)[O-]	ZINC000013402425	563929532	/nfs/dbraw/zinc/92/95/32/563929532.db2.gz	FVXAJZRADGVLQM-CTZQRVGRSA-N	-1	0	322.489	4.649	40	0	biogenic,in-vitro	DJABRM
CC/C=C/C/C=C/C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000150373573	186056511	/nfs/dbraw/zinc/05/65/11/186056511.db2.gz	MCRJLMXYVFDXLS-CHMNHXJCSA-N	-1	0	318.457	4.964	40	0		DJABRM
O=C([O-])c1cccc2c1N[C@@H](c1ccccc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]21	ZINC000004151491	181079233	/nfs/dbraw/zinc/07/92/33/181079233.db2.gz	PDTXZAZUEFJOMH-MCRSOVSTSA-N	-1	0	319.404	4.681	40	0		DJABRM
CCC(=O)c1cc(C)c([O-])c(Sc2cccc3cccnc32)c1	ZINC000004784620	181151881	/nfs/dbraw/zinc/15/18/81/181151881.db2.gz	ONGNLNKYZKKTDB-UHFFFAOYSA-N	-1	0	323.417	4.993	40	0		DJABRM
CCCN(CCCC(=O)[O-])c1ccccc1Oc1ccccc1	ZINC000225006818	201682541	/nfs/dbraw/zinc/68/25/41/201682541.db2.gz	QQIARLSPTSCKOL-UHFFFAOYSA-N	-1	0	313.397	4.560	40	0		DJABRM
Cc1ccc(C)c(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])c1	ZINC000225029602	201684144	/nfs/dbraw/zinc/68/41/44/201684144.db2.gz	XYRAYPDBMWDFSA-INIZCTEOSA-N	-1	0	320.841	4.745	40	0		DJABRM
Cc1ccc(C)c(C[C@H](Oc2cccc3ccccc32)C(=O)[O-])c1	ZINC000225029214	201684380	/nfs/dbraw/zinc/68/43/80/201684380.db2.gz	JLPYCZMDEPCLKZ-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
CCCCCC(=O)Nc1ccccc1S[C@@H](CCC)C(=O)[O-]	ZINC000008732885	181580312	/nfs/dbraw/zinc/58/03/12/181580312.db2.gz	DCMVYOMATHQKDD-HNNXBMFYSA-N	-1	0	323.458	4.551	40	0		DJABRM
O=C([O-])c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12	ZINC000020595630	182236179	/nfs/dbraw/zinc/23/61/79/182236179.db2.gz	MACMOUVJWLNJIU-UHFFFAOYSA-N	-1	0	320.175	4.695	40	0		DJABRM
CC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000033820504	182723168	/nfs/dbraw/zinc/72/31/68/182723168.db2.gz	IDEHSDHMEMMYIR-HODZVVMCSA-N	-1	0	318.457	4.964	40	0	in-vitro	DJABRM
C[C@H](CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)CC(=O)[O-]	ZINC000039738204	183021911	/nfs/dbraw/zinc/02/19/11/183021911.db2.gz	KHCCSRVJJDOANA-DSVUEQLOSA-N	-1	0	324.505	4.871	40	0		DJABRM
Cc1cc2sc([N-]c3nc4ccc(C)c(C)c4o3)nc2c(N)c1	ZINC000057352559	184034975	/nfs/dbraw/zinc/03/49/75/184034975.db2.gz	WVKXSAZCLWRNQO-UHFFFAOYSA-N	-1	0	324.409	4.689	40	0		DJABRM
O=C([O-])c1cccc2c1N[C@@H](c1ccccc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21	ZINC000059399163	184138122	/nfs/dbraw/zinc/13/81/22/184138122.db2.gz	PDTXZAZUEFJOMH-ACOUUOOQSA-N	-1	0	319.404	4.681	40	0		DJABRM
CC/C=C/C/C=C/C/C=C/C=C\[C@@H](O)C/C=C\CCCC(=O)[O-]	ZINC000299888757	334258596	/nfs/dbraw/zinc/25/85/96/334258596.db2.gz	WLOUCHKFBGGNEB-NDGSOHRNSA-N	-1	0	318.457	4.964	40	0		DJABRM
O=C([O-])[C@H](c1ccccc1)[C@H](Cc1ccccc1)c1ccccc1	ZINC000001621945	563288155	/nfs/dbraw/zinc/28/81/55/563288155.db2.gz	PAIMKQZXMVKNGS-NHCUHLMSSA-N	-1	0	316.400	4.881	40	0		DJABRM
Oc1ccccc1C(c1ccccc1O)C(Cl)(Cl)Cl	ZINC000001688233	563291077	/nfs/dbraw/zinc/29/10/77/563291077.db2.gz	GNXSMNAKPGVLDL-UHFFFAOYSA-N	-1	0	317.599	4.600	40	0		DJABRM
Cc1cccc2c3cc(C(=O)CCC(=O)[O-])cc(C)c3sc21	ZINC000001700984	563291908	/nfs/dbraw/zinc/29/19/08/563291908.db2.gz	OEGWHSTUBWAXMU-UHFFFAOYSA-N	-1	0	312.390	4.719	40	0		DJABRM
[O-]c1c(Cl)cc(Cc2ccc(O)c(Cl)c2)cc1Cl	ZINC000001760439	563295322	/nfs/dbraw/zinc/29/53/22/563295322.db2.gz	CGSLZLIIGZROSX-UHFFFAOYSA-N	-1	0	303.572	4.649	40	0		DJABRM
Cc1cc(-c2cnc3ccccc3n2)c2[n-]c3ccccc3nc1-2	ZINC000016268686	563411541	/nfs/dbraw/zinc/41/15/41/563411541.db2.gz	MOBHYYZUGSUXOI-UHFFFAOYSA-N	-1	0	310.360	4.586	40	0		DJABRM
CC/C=C/C/C=C/C/C=C/C=C/[C@@H](O)C/C=C/CCCC(=O)[O-]	ZINC000098043853	563543996	/nfs/dbraw/zinc/54/39/96/563543996.db2.gz	WLOUCHKFBGGNEB-DARULYNNSA-N	-1	0	318.457	4.964	40	0		DJABRM
CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@@](C)(C(=O)[O-])CCC[C@]21C	ZINC000014410655	563567235	/nfs/dbraw/zinc/56/72/35/563567235.db2.gz	MSWJSDLNPCSSNW-SXLOBPIMSA-N	-1	0	314.425	4.545	40	0	biogenic,in-vitro	DJABRM
CCC[C@@H](C(=O)[O-])N1c2cc(C)c(C)cc2C(C)=CC1(C)C	ZINC000223215934	563731869	/nfs/dbraw/zinc/73/18/69/563731869.db2.gz	RHBAMKGNGGOYJC-INIZCTEOSA-N	-1	0	301.430	4.559	40	0		DJABRM
Cc1cccc(C)c1C[C@@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225032254	563746849	/nfs/dbraw/zinc/74/68/49/563746849.db2.gz	YXCJJNJWJSMRLZ-MRXNPFEDSA-N	-1	0	320.841	4.745	40	0		DJABRM
Cc1ccc(C)c(C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])c1	ZINC000225029563	563746984	/nfs/dbraw/zinc/74/69/84/563746984.db2.gz	XYRAYPDBMWDFSA-MRXNPFEDSA-N	-1	0	320.841	4.745	40	0		DJABRM
CCc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000225044223	563747494	/nfs/dbraw/zinc/74/74/94/563747494.db2.gz	VRPMYOCQNSJMJT-INIZCTEOSA-N	-1	0	320.841	4.690	40	0		DJABRM
CC(C)c1c(=O)c2cc(C(F)(F)F)ccc2[n-]c1C(F)F	ZINC000685938153	563926961	/nfs/dbraw/zinc/92/69/61/563926961.db2.gz	KUMWQSKMGGBCRP-UHFFFAOYSA-N	-1	0	305.246	4.608	40	0		DJABRM
CCc1c(=O)c2cc(C(F)(F)F)ccc2[n-]c1C(F)(F)F	ZINC000685938177	563927019	/nfs/dbraw/zinc/92/70/19/563927019.db2.gz	LOHOOZRJTHQVOE-UHFFFAOYSA-N	-1	0	309.209	4.540	40	0		DJABRM
Nc1ccc(Nc2ccccc2Oc2ccccc2)c(C(=O)[O-])c1	ZINC000225323898	201694044	/nfs/dbraw/zinc/69/40/44/201694044.db2.gz	HICZJGOBBNQSQX-UHFFFAOYSA-N	-1	0	320.348	4.503	40	0		DJABRM
CC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)O1	ZINC000003058476	180979299	/nfs/dbraw/zinc/97/92/99/180979299.db2.gz	FURAOIUBEMAMNE-SJORKVTESA-N	-1	0	314.768	4.554	40	0		DJABRM
O=C([O-])c1cc2sccc2n1Cc1cccc2ccccc21	ZINC000005000277	181188568	/nfs/dbraw/zinc/18/85/68/181188568.db2.gz	GGZKLDOCUMXILG-UHFFFAOYSA-N	-1	0	307.374	4.603	40	0		DJABRM
CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)[O-])O2	ZINC000005854293	181289729	/nfs/dbraw/zinc/28/97/29/181289729.db2.gz	XLWWERNKTLITEF-GEALJGNFSA-N	-1	0	320.473	4.952	40	0	biogenic,in-vitro	DJABRM
O=C([O-])c1ccccc1N(C(=O)C1CCCCC1)c1ccccc1	ZINC000005900725	181294517	/nfs/dbraw/zinc/29/45/17/181294517.db2.gz	MUVRYYBWLFXVHQ-UHFFFAOYSA-N	-1	0	323.392	4.630	40	0		DJABRM
CC[C@@H](C(=O)[O-])N(CC)c1ccccc1Sc1ccccc1	ZINC000225004490	201682600	/nfs/dbraw/zinc/68/26/00/201682600.db2.gz	GVKXYTHFFQJMTE-HNNXBMFYSA-N	-1	0	315.438	4.527	40	0		DJABRM
CC(C)c1ccc(C[C@@H](Oc2ccccc2Cl)C(=O)[O-])cc1	ZINC000225045192	201683806	/nfs/dbraw/zinc/68/38/06/201683806.db2.gz	VXTYVIVEIGUYLG-QGZVFWFLSA-N	-1	0	318.800	4.538	40	0		DJABRM
Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[O-])cc1C	ZINC000095097103	193423557	/nfs/dbraw/zinc/42/35/57/193423557.db2.gz	XIEAJRUIWGKCEK-UHFFFAOYSA-N	-1	0	323.417	4.721	40	0		DJABRM
O=C([O-])c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000008436578	181557498	/nfs/dbraw/zinc/55/74/98/181557498.db2.gz	BNVQAAFDDBBNBH-UHFFFAOYSA-N	-1	0	320.175	4.695	40	0		DJABRM
CCCCCCC(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000020136662	182190661	/nfs/dbraw/zinc/19/06/61/182190661.db2.gz	OAPSBAVDOJUYMX-UHFFFAOYSA-N	-1	0	318.200	4.601	40	0		DJABRM
CC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000034961903	182745698	/nfs/dbraw/zinc/74/56/98/182745698.db2.gz	LRWYBGFSVUBWMO-UAAZXLHOSA-N	-1	0	318.457	4.964	40	0	in-vitro	DJABRM
CCC1CCC(c2ccc(C(=O)[O-])cc2Br)CC1	ZINC000039952479	183023603	/nfs/dbraw/zinc/02/36/03/183023603.db2.gz	FMKFQTUDWAGHOT-UHFFFAOYSA-N	-1	0	311.219	4.831	40	0		DJABRM
CCCN(c1ccc(Oc2ccccc2)cc1)[C@H](CC)C(=O)[O-]	ZINC000260680872	333524432	/nfs/dbraw/zinc/52/44/32/333524432.db2.gz	WDMCHUCDZWUVCX-GOSISDBHSA-N	-1	0	313.397	4.559	40	0		DJABRM
CC/C=C/C/C=C/C/C=C/C=C\[C@@H](O)C/C=C/CCCC(=O)[O-]	ZINC000299888758	334258610	/nfs/dbraw/zinc/25/86/10/334258610.db2.gz	WLOUCHKFBGGNEB-NFIQEAIJSA-N	-1	0	318.457	4.964	40	0		DJABRM
CCc1ccccc1C[C@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225041389	563747226	/nfs/dbraw/zinc/74/72/26/563747226.db2.gz	XYDTZAIUTOIUJZ-INIZCTEOSA-N	-1	0	320.841	4.690	40	0		DJABRM
S=C1[N-]c2cnc3ccccc3c2S[C@H]1c1ccccc1	ZINC000008652006	563348689	/nfs/dbraw/zinc/34/86/89/563348689.db2.gz	MKPMXLAYKDWWLV-HNNXBMFYSA-N	-1	0	308.431	4.821	40	0		DJABRM
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1[S-]	ZINC000031791488	563440505	/nfs/dbraw/zinc/44/05/05/563440505.db2.gz	JNLVWNQBBGAIEU-UHFFFAOYSA-N	-1	0	313.209	4.926	40	0		DJABRM
Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(C(C)C)n2)c1	ZINC000585265151	563537046	/nfs/dbraw/zinc/53/70/46/563537046.db2.gz	HSJRXTMCZHEOMU-UHFFFAOYSA-N	-1	0	313.397	4.666	40	0		DJABRM
O=C([O-])c1sc2ccc3ccccc3c2c1Br	ZINC000003160229	563568350	/nfs/dbraw/zinc/56/83/50/563568350.db2.gz	PUUPYJYIOOPNKT-UHFFFAOYSA-N	-1	0	307.168	4.515	40	0		DJABRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	ZINC000006965723	563596693	/nfs/dbraw/zinc/59/66/93/563596693.db2.gz	RLZNBEGYISLJLI-QMTMVMCOSA-N	-1	0	323.367	4.659	40	0		DJABRM
CCCCCC(=O)Nc1ccccc1S[C@H](CCC)C(=O)[O-]	ZINC000008732886	563644338	/nfs/dbraw/zinc/64/43/38/563644338.db2.gz	DCMVYOMATHQKDD-OAHLLOKOSA-N	-1	0	323.458	4.551	40	0		DJABRM
CCC[C@H](C(=O)[O-])N1c2ccc(Cl)cc2C(C)=CC1(C)C	ZINC000223215535	563731904	/nfs/dbraw/zinc/73/19/04/563731904.db2.gz	ONPZIZFCGXGHRL-OAHLLOKOSA-N	-1	0	307.821	4.595	40	0		DJABRM
Cc1ccc2c(c1)N(Cc1ccc(C(=O)[O-])o1)C(C)(C)C[C@@H]2C	ZINC000223233225	563732275	/nfs/dbraw/zinc/73/22/75/563732275.db2.gz	CJANRRCDHPOOHX-ZDUSSCGKSA-N	-1	0	313.397	4.579	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2ccc(C)cc2C(C)=CC1(C)C	ZINC000223222942	563732393	/nfs/dbraw/zinc/73/23/93/563732393.db2.gz	FUCAURGHCKTUEH-KRWDZBQOSA-N	-1	0	301.430	4.640	40	0		DJABRM
CCCC[C@@H](C(=O)[O-])N1c2ccc(C)cc2[C@@H](C)CC1(C)C	ZINC000223224264	563732412	/nfs/dbraw/zinc/73/24/12/563732412.db2.gz	DORUNDIXZYGZPK-YOEHRIQHSA-N	-1	0	303.446	4.731	40	0		DJABRM
CCCN(CCCC(=O)[O-])c1ccc(Oc2ccccc2)cc1	ZINC000224999873	563746166	/nfs/dbraw/zinc/74/61/66/563746166.db2.gz	JCFPQBWPPKERIX-UHFFFAOYSA-N	-1	0	313.397	4.560	40	0		DJABRM
Cc1cccc(C)c1C[C@H](Oc1cccc2ccccc21)C(=O)[O-]	ZINC000225031935	563746910	/nfs/dbraw/zinc/74/69/10/563746910.db2.gz	OCBGHLXMFVEFGT-FQEVSTJZSA-N	-1	0	320.388	4.531	40	0		DJABRM
CC(C)c1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000225045390	563747256	/nfs/dbraw/zinc/74/72/56/563747256.db2.gz	BHDXFOPKQXLENP-KRWDZBQOSA-N	-1	0	318.800	4.538	40	0		DJABRM
Cc1cc2c(cc1C)N([C@@H](C(=O)[O-])C(C)C)C(C)(C)C[C@H]2C	ZINC000260619529	563772295	/nfs/dbraw/zinc/77/22/95/563772295.db2.gz	NJMUHVOSRYZCCW-RHSMWYFYSA-N	-1	0	303.446	4.505	40	0		DJABRM
Cc1cc2c(cc1C)N([C@H](C(=O)[O-])C(C)C)C(C)(C)C[C@@H]2C	ZINC000260619534	563773866	/nfs/dbraw/zinc/77/38/66/563773866.db2.gz	NJMUHVOSRYZCCW-YOEHRIQHSA-N	-1	0	303.446	4.505	40	0		DJABRM
CC(C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)=C([O-])c1ccccc1	ZINC000245241261	563780577	/nfs/dbraw/zinc/78/05/77/563780577.db2.gz	ZOYYIVKKDFCYRI-AHCXZYCDSA-N	-1	0	316.441	4.509	40	0		DJABRM
CC/C=C/C[C@H](O)/C=C/C=C/C/C=C/C/C=C\CCCC(=O)[O-]	ZINC000256080149	563789586	/nfs/dbraw/zinc/78/95/86/563789586.db2.gz	WLKCSMCLEKGITB-GUDQWDHKSA-N	-1	0	318.457	4.964	40	0		DJABRM
Cc1cc(C(=O)[O-])cc(C)c1OCc1cccc2ccccc21	ZINC000216725919	563851498	/nfs/dbraw/zinc/85/14/98/563851498.db2.gz	QCTUJMWXKWVQHH-UHFFFAOYSA-N	-1	0	306.361	4.734	40	0		DJABRM
CCc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000020059007	563922852	/nfs/dbraw/zinc/92/28/52/563922852.db2.gz	NJDLNYNHYLVXMR-HLIPFELVSA-N	-1	0	319.404	4.774	40	0		DJABRM
CC(C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)=C([O-])c1ccccc1	ZINC000103212832	563924153	/nfs/dbraw/zinc/92/41/53/563924153.db2.gz	ZOYYIVKKDFCYRI-JOCBIADPSA-N	-1	0	316.441	4.509	40	0		DJABRM