smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(OCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(C)c1Cl	ZINC000002879233	203971593	/nfs/dbraw/zinc/97/15/93/203971593.db2.gz	TXWIRYYQCINSRE-UHFFFAOYSA-N	-2	0	377.780	3.371	50	0		GGAARL
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004826479	204079911	/nfs/dbraw/zinc/07/99/11/204079911.db2.gz	WVSYPFUKZQSKII-SNVBAGLBSA-N	-2	0	377.780	3.451	50	0		GGAARL
O=C1O[C@@](c2ccc(O)cc2)(c2ccc(OP(=O)([O-])[O-])cc2)c2ccccc21	ZINC000004521774	204050900	/nfs/dbraw/zinc/05/09/00/204050900.db2.gz	NEMOXUWHWHQWJM-FQEVSTJZSA-N	-2	0	398.307	3.326	50	0		GGAARL
Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(C)c(Br)c1	ZINC000004663952	204060295	/nfs/dbraw/zinc/06/02/95/204060295.db2.gz	FDXUIAQCMZQLOW-UHFFFAOYSA-N	-2	0	377.242	3.412	50	0		GGAARL
O=C([O-])c1cc(NC(=O)CSc2cccc3cccnc32)cc(C(=O)[O-])c1	ZINC000004691466	204064603	/nfs/dbraw/zinc/06/46/03/204064603.db2.gz	IYAYRFZLEPKOJW-UHFFFAOYSA-N	-2	0	382.397	3.362	50	0		GGAARL
CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000005186599	204117782	/nfs/dbraw/zinc/11/77/82/204117782.db2.gz	AKMAXOCQHQGJIE-UHFFFAOYSA-N	-2	0	384.388	3.320	50	0		GGAARL
CCC(=O)Nc1ccc(-c2ccc(NC(=O)CC)c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000004964617	204096801	/nfs/dbraw/zinc/09/68/01/204096801.db2.gz	DOLGCBIBRJYPRH-UHFFFAOYSA-N	-2	0	384.388	3.447	50	0		GGAARL
CCC(Nc1cccc(C(=O)[O-])c1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000009015796	204296409	/nfs/dbraw/zinc/29/64/09/204296409.db2.gz	NTQMTUSSUBHZBW-WUKNDPDISA-N	-2	0	393.399	3.052	50	0		GGAARL
COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)Nc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000009089882	204298584	/nfs/dbraw/zinc/29/85/84/204298584.db2.gz	MNQFTNGFDYQVHW-WJDWOHSUSA-N	-2	0	395.371	3.203	50	0		GGAARL
Cn1nc(-c2ccc(C(=O)[O-])cc2)c2c1ncnc2Nc1cccc(C(=O)[O-])c1	ZINC000071405482	205030164	/nfs/dbraw/zinc/03/01/64/205030164.db2.gz	POFUTSJUHFUZLP-UHFFFAOYSA-N	-2	0	389.371	3.170	50	0		GGAARL
C[C@@H](Oc1cc(O[C@H](C)C(=O)[O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-]	ZINC000000941352	220469620	/nfs/dbraw/zinc/46/96/20/220469620.db2.gz	GJWPTOPCIQQNOL-VXGBXAGGSA-N	-2	0	398.367	3.164	50	0	biogenic	GGAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc(C(=O)[O-])c1	ZINC000000953451	564181314	/nfs/dbraw/zinc/18/13/14/564181314.db2.gz	GCPYYWLTVQVZHL-UHFFFAOYSA-N	-3	0	390.200	3.191	50	0		GGAARL
O=C([O-])[C@@H]1[C@@H](C(=O)[O-])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl	ZINC000003096233	564193695	/nfs/dbraw/zinc/19/36/95/564193695.db2.gz	DJKGDNKYTKCJKD-JJGPICPWSA-N	-2	0	388.845	3.234	50	0		GGAARL
COc1cc(-c2c(C(=O)[O-])nc3ccccc3c2C(=O)[O-])cc(OC)c1OC	ZINC000000719550	570219975	/nfs/dbraw/zinc/21/99/75/570219975.db2.gz	ZBDABQKGDVOWAK-UHFFFAOYSA-N	-2	0	383.356	3.324	50	0		GGAARL
O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)[N-]C2=O)cc1	ZINC000001140379	570247883	/nfs/dbraw/zinc/24/78/83/570247883.db2.gz	JCIYJJLBOQPILQ-WOJGMQOQSA-N	-2	0	388.379	3.297	50	0		GGAARL
O=C([O-])CS[C@H](CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-]	ZINC000045068857	570272117	/nfs/dbraw/zinc/27/21/17/570272117.db2.gz	GWZMHOAZVDAVRC-MRXNPFEDSA-N	-2	0	380.368	3.476	50	0		GGAARL
O=C([O-])CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002244141	570280090	/nfs/dbraw/zinc/28/00/90/570280090.db2.gz	DSQHYGKLDYXUSA-GOSISDBHSA-N	-2	0	383.400	3.233	50	0		GGAARL
O=C([O-])c1cc(Nc2ccccc2C(=O)[O-])nc(Nc2ccccc2C(=O)[O-])n1	ZINC000001796393	570425457	/nfs/dbraw/zinc/42/54/57/570425457.db2.gz	XGPGAYNPTTXYNR-UHFFFAOYSA-N	-3	0	394.343	3.058	50	0		GGAARL
C[C@@H](Oc1cc(O[C@@H](C)C(=O)[O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-]	ZINC000000941350	570731638	/nfs/dbraw/zinc/73/16/38/570731638.db2.gz	GJWPTOPCIQQNOL-NEPJUHHUSA-N	-2	0	398.367	3.164	50	0	biogenic	GGAARL
COc1ccccc1C(Cc1c([O-])cc(C)oc1=O)Cc1c([O-])cc(C)oc1=O	ZINC000016756391	570933126	/nfs/dbraw/zinc/93/31/26/570933126.db2.gz	RGURPBNAGYEPDB-UHFFFAOYSA-N	-2	0	398.411	3.199	50	0		GGAARL
COc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1	ZINC000095376778	571064854	/nfs/dbraw/zinc/06/48/54/571064854.db2.gz	KBLHFOCXDGJXFE-HNNXBMFYSA-N	-2	0	383.400	3.111	50	0		GGAARL
COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-]	ZINC000016957840	1399267378	/nfs/dbraw/zinc/26/73/78/1399267378.db2.gz	WDOGQTQEKVLZIJ-AATRIKPKSA-N	-2	0	396.332	3.363	50	0		GGAARL
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)Nc1ccc(CC(=O)[O-])cc1	ZINC000104840667	1410974609	/nfs/dbraw/zinc/97/46/09/1410974609.db2.gz	NSLPHFNMIHNLKV-UHFFFAOYSA-N	-2	0	393.440	3.351	50	0		GGAARL
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000242543322	1433446748	/nfs/dbraw/zinc/44/67/48/1433446748.db2.gz	JWXSOCWKUWWJJT-JOCQHMNTSA-N	-2	0	399.488	3.283	50	0		GGAARL
C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000001536201	206385744	/nfs/dbraw/zinc/38/57/44/206385744.db2.gz	DOBNVUFHFMVMDB-BEFAXECRSA-N	-2	0	383.444	3.357	50	0	in-vivo	GGAARL
O=C([O-])[C@H]1[C@@H](C(=O)[O-])[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	ZINC000002534418	206420927	/nfs/dbraw/zinc/42/09/27/206420927.db2.gz	DJKGDNKYTKCJKD-BPOCMEKLSA-N	-2	0	388.845	3.234	50	0		GGAARL
O=C([O-])CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)/C=C/c1ccccc1	ZINC000003194891	206460958	/nfs/dbraw/zinc/46/09/58/206460958.db2.gz	XVMNTEZHAARJJO-WYMLVPIESA-N	-2	0	389.429	3.057	50	0		GGAARL
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000004616620	206534301	/nfs/dbraw/zinc/53/43/01/206534301.db2.gz	MCIMMXZKZOUROH-UHFFFAOYSA-N	-2	0	384.388	3.320	50	0		GGAARL
CCOc1ccc(C(=O)C[C@@H](C(=O)[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000020247253	207186665	/nfs/dbraw/zinc/18/66/65/207186665.db2.gz	GUZIKWYQZFZXLF-QUCCMNQESA-N	-2	0	394.427	3.398	50	0		GGAARL
CCOc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(OCC)cc1C	ZINC000032601602	207399109	/nfs/dbraw/zinc/39/91/09/207399109.db2.gz	KVQUPRLOYRBSGL-UHFFFAOYSA-N	-2	0	379.434	3.291	50	0		GGAARL
COc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1	ZINC000095376779	208168346	/nfs/dbraw/zinc/16/83/46/208168346.db2.gz	KBLHFOCXDGJXFE-OAHLLOKOSA-N	-2	0	383.400	3.111	50	0		GGAARL
CC(C)=CCC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000034661063	564414352	/nfs/dbraw/zinc/41/43/52/564414352.db2.gz	KXWMBFDSASOMND-JXMROGBWSA-N	-4	0	394.190	3.022	50	0		GGAARL
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Cl	ZINC000003211049	564194223	/nfs/dbraw/zinc/19/42/23/564194223.db2.gz	SAISACWFXXLVFM-UHFFFAOYSA-N	-2	0	385.825	3.165	50	0		GGAARL
O=C([O-])c1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1	ZINC000004754857	564206544	/nfs/dbraw/zinc/20/65/44/564206544.db2.gz	GLFCQBXFUSGDFX-UHFFFAOYSA-N	-3	0	390.200	3.191	50	0		GGAARL
O=C([O-])c1cc(NC(=O)COc2ccc(Cl)cc2Cl)cc(C(=O)[O-])c1	ZINC000004825398	564207542	/nfs/dbraw/zinc/20/75/42/564207542.db2.gz	AOFINWDNHAQDEK-UHFFFAOYSA-N	-2	0	384.171	3.407	50	0		GGAARL
O=C([O-])CC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002583201	570291533	/nfs/dbraw/zinc/29/15/33/570291533.db2.gz	JJSUQIKTDAOMSC-ZDUSSCGKSA-N	-2	0	383.400	3.233	50	0		GGAARL
Cn1c2ccccc2nc1-c1c(CCCC(=O)[O-])oc2cc([O-])ccc2c1=O	ZINC000011867616	570298808	/nfs/dbraw/zinc/29/88/08/570298808.db2.gz	HLJXBDBNKKRQGU-UHFFFAOYSA-N	-2	0	378.384	3.460	50	0		GGAARL
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004826472	570409182	/nfs/dbraw/zinc/40/91/82/570409182.db2.gz	WVSYPFUKZQSKII-JTQLQIEISA-N	-2	0	377.780	3.451	50	0		GGAARL
C[C@](CCC(=O)[O-])(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000038528774	570580415	/nfs/dbraw/zinc/58/04/15/570580415.db2.gz	YORGKHGDLMQZGF-OAQYLSRUSA-N	-2	0	383.400	3.233	50	0		GGAARL
O=C([O-])CCN(CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000038881139	570588960	/nfs/dbraw/zinc/58/89/60/570588960.db2.gz	DUZRLPKOGSOKML-UHFFFAOYSA-N	-2	0	383.400	3.187	50	0		GGAARL
CCOC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])c2ccccc2[nH]c1=O	ZINC000072325857	570674067	/nfs/dbraw/zinc/67/40/67/570674067.db2.gz	AGSUZZNXLPSSNS-OAHLLOKOSA-N	-2	0	381.384	3.017	50	0	biogenic	GGAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000002111616	570950651	/nfs/dbraw/zinc/95/06/51/570950651.db2.gz	VONWFAKLVFMNPZ-CQSZACIVSA-N	-2	0	395.839	3.009	50	0	biogenic	GGAARL
COc1ccc2[nH]c(C(=O)[O-])c([N-]S(=O)(=O)c3ccc(F)c(C)c3)c2c1	ZINC000002194651	570996428	/nfs/dbraw/zinc/99/64/28/570996428.db2.gz	YNOGFZKNIPKQKM-UHFFFAOYSA-N	-2	0	378.381	3.123	50	0		GGAARL
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)N[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000104840663	1410974204	/nfs/dbraw/zinc/97/42/04/1410974204.db2.gz	IQUNZZZNJUCWCG-TXEJJXNPSA-N	-2	0	385.461	3.035	50	0		GGAARL
O=C([O-])CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002382501	209360258	/nfs/dbraw/zinc/36/02/58/209360258.db2.gz	DSQHYGKLDYXUSA-SFHVURJKSA-N	-2	0	383.400	3.233	50	0		GGAARL
O=C([O-])c1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1ccccc1C(=O)[O-]	ZINC000001512294	209332533	/nfs/dbraw/zinc/33/25/33/209332533.db2.gz	NBNUQMVCSCBARI-UHFFFAOYSA-N	-2	0	386.791	3.190	50	0		GGAARL
O=C([O-])[C@H]1[C@H](C(=O)[O-])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl	ZINC000001555579	209332654	/nfs/dbraw/zinc/33/26/54/209332654.db2.gz	DJKGDNKYTKCJKD-ASRHOXTCSA-N	-2	0	388.845	3.234	50	0		GGAARL
COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1	ZINC000001050273	209294480	/nfs/dbraw/zinc/29/44/80/209294480.db2.gz	QUDJXEJUNTXKQE-UHFFFAOYSA-N	-2	0	390.244	3.430	50	0		GGAARL
CCOc1nc(Oc2ccc(C(=O)[O-])cc2)nc(Oc2ccc(C(=O)[O-])cc2)n1	ZINC000000816807	209269229	/nfs/dbraw/zinc/26/92/29/209269229.db2.gz	WRZLNUAMMYFEMM-UHFFFAOYSA-N	-2	0	397.343	3.251	50	0		GGAARL
O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000000626208	209251162	/nfs/dbraw/zinc/25/11/62/209251162.db2.gz	WTPGRAZMHGUBLF-UHFFFAOYSA-N	-2	0	388.470	3.288	50	0		GGAARL
CCCC[C@H](NC(=O)CCc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-]	ZINC000002125257	209228433	/nfs/dbraw/zinc/22/84/33/209228433.db2.gz	NBZYRINBIDMMKE-AWEZNQCLSA-N	-2	0	395.839	3.153	50	0	biogenic	GGAARL
COc1ccc2[nH]c(C(=O)[O-])c([N-]S(=O)(=O)c3ccc(Cl)s3)c2c1	ZINC000002337434	564187891	/nfs/dbraw/zinc/18/78/91/564187891.db2.gz	NZSSHIXKMIMXGS-UHFFFAOYSA-N	-2	0	386.838	3.390	50	0		GGAARL
CCOc1ccc(C(=O)C[C@H](C(=O)[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000005196911	570431275	/nfs/dbraw/zinc/43/12/75/570431275.db2.gz	GUZIKWYQZFZXLF-AZUAARDMSA-N	-2	0	394.427	3.398	50	0		GGAARL
O=C([O-])c1cc(NC2=NC(=O)C(=CC=Cc3ccco3)S2)cc(C(=O)[O-])c1	ZINC000080350059	570512475	/nfs/dbraw/zinc/51/24/75/570512475.db2.gz	RJZMDLRFFYTRTN-NQDFZQDQSA-N	-2	0	384.369	3.315	50	0		GGAARL
Cc1ccc(S(=O)(=O)[N-]c2cc(OCC(=O)[O-])cc3ccc(C)nc32)cc1	ZINC000044075068	570631644	/nfs/dbraw/zinc/63/16/44/570631644.db2.gz	CGNKOBNGEFZRQU-UHFFFAOYSA-N	-2	0	386.429	3.116	50	0		GGAARL
CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-]	ZINC000002111230	570950620	/nfs/dbraw/zinc/95/06/20/570950620.db2.gz	ZJFMDPKSXRWPDB-VVVCHXIZSA-N	-2	0	395.839	3.009	50	0	biogenic	GGAARL
Nc1ccc(-c2ccc(N)c(OCCCC(=O)[O-])c2)cc1OCCCC(=O)[O-]	ZINC000002002421	212262104	/nfs/dbraw/zinc/26/21/04/212262104.db2.gz	NUBOMXHHTQFVBI-UHFFFAOYSA-N	-2	0	388.420	3.005	50	0		GGAARL
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-]	ZINC000001543513	212249320	/nfs/dbraw/zinc/24/93/20/212249320.db2.gz	WDOGQTQEKVLZIJ-WAYWQWQTSA-N	-2	0	396.332	3.363	50	0	biogenic,investigational	GGAARL
CCc1cc2c(cc1[O-])oc(COCC(=O)[O-])c(-c1nc(C)cs1)c2=O	ZINC000011867625	221133443	/nfs/dbraw/zinc/13/34/43/221133443.db2.gz	CMRPFOSTCZOVJF-UHFFFAOYSA-N	-2	0	375.402	3.094	50	0	biogenic	GGAARL
CC[C@H](C)[C@H](NC(=O)CCc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-]	ZINC000012865412	221239889	/nfs/dbraw/zinc/23/98/89/221239889.db2.gz	ZJFMDPKSXRWPDB-XYZCENFISA-N	-2	0	395.839	3.009	50	0	biogenic	GGAARL
COc1ccc(Br)cc1C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000005077960	564212361	/nfs/dbraw/zinc/21/23/61/564212361.db2.gz	DLLQSJCOTBURKG-UHFFFAOYSA-N	-2	0	394.177	3.106	50	0		GGAARL
O=C1O[C@](c2ccc(O)cc2)(c2ccc(OP(=O)([O-])[O-])cc2)c2ccccc21	ZINC000004521775	570381414	/nfs/dbraw/zinc/38/14/14/570381414.db2.gz	NEMOXUWHWHQWJM-HXUWFJFHSA-N	-2	0	398.307	3.326	50	0		GGAARL
Cc1c(OCc2ccc(C(=O)[O-])o2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12	ZINC000036369977	570646865	/nfs/dbraw/zinc/64/68/65/570646865.db2.gz	QLEFVQLQRLHURZ-UHFFFAOYSA-N	-2	0	386.356	3.297	50	0	biogenic	GGAARL
COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1	ZINC000004690040	570835451	/nfs/dbraw/zinc/83/54/51/570835451.db2.gz	ZVMUIYGFYFFALX-UHFFFAOYSA-N	-2	0	379.434	3.083	50	0		GGAARL
CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-]	ZINC000002111228	570950576	/nfs/dbraw/zinc/95/05/76/570950576.db2.gz	ZJFMDPKSXRWPDB-XLFHBGCDSA-N	-2	0	395.839	3.009	50	0	biogenic	GGAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000002111614	570950832	/nfs/dbraw/zinc/95/08/32/570950832.db2.gz	VONWFAKLVFMNPZ-AWEZNQCLSA-N	-2	0	395.839	3.009	50	0	biogenic	GGAARL
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)N[C@H]1CC[C@@H](C(=O)[O-])CC1	ZINC000104840735	1410974102	/nfs/dbraw/zinc/97/41/02/1410974102.db2.gz	IQUNZZZNJUCWCG-HAQNSBGRSA-N	-2	0	385.461	3.035	50	0		GGAARL
CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CC)c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000000819828	203855679	/nfs/dbraw/zinc/85/56/79/203855679.db2.gz	MAKHXTAQPDQQDN-UHFFFAOYSA-N	-2	0	398.415	3.371	50	0		GGAARL
CCC(Nc1ccc(C(=O)[O-])cc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000009090098	204298240	/nfs/dbraw/zinc/29/82/40/204298240.db2.gz	SQNMLIASSSOSMW-WUKNDPDISA-N	-2	0	393.399	3.052	50	0		GGAARL
O=C([O-])c1cccc(C(=O)N2CCC[C@](Cc3ccc(F)cc3)(C(=O)[O-])C2)c1	ZINC000071765556	205296119	/nfs/dbraw/zinc/29/61/19/205296119.db2.gz	MZSPUQJDNNUKCT-OAQYLSRUSA-N	-2	0	385.391	3.074	50	0		GGAARL
CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-]	ZINC000012865406	205881001	/nfs/dbraw/zinc/88/10/01/205881001.db2.gz	ZJFMDPKSXRWPDB-HUTHGQBESA-N	-2	0	395.839	3.009	50	0	biogenic	GGAARL
O=C([O-])[C@H]1[C@@H](C(=O)[O-])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl	ZINC000003096232	564193110	/nfs/dbraw/zinc/19/31/10/564193110.db2.gz	DJKGDNKYTKCJKD-MVWZDZTGSA-N	-2	0	388.845	3.234	50	0		GGAARL
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Cl	ZINC000003211053	564194365	/nfs/dbraw/zinc/19/43/65/564194365.db2.gz	ZOFSVBFLCUNRCN-UHFFFAOYSA-N	-2	0	385.825	3.165	50	0		GGAARL
O=C([O-])c1cc(NC(=O)Cc2ccc(Br)cc2)cc(C(=O)[O-])c1	ZINC000004807366	564207208	/nfs/dbraw/zinc/20/72/08/564207208.db2.gz	XOPVXMXXTZUQRC-UHFFFAOYSA-N	-2	0	378.178	3.027	50	0		GGAARL
C[C@@](CCC(=O)[O-])(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002583221	570291600	/nfs/dbraw/zinc/29/16/00/570291600.db2.gz	YORGKHGDLMQZGF-NRFANRHFSA-N	-2	0	383.400	3.233	50	0		GGAARL
CCOC(=O)c1[n-]c(-c2ccco2)nc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000033435921	570349538	/nfs/dbraw/zinc/34/95/38/570349538.db2.gz	ARTOTHQARMXGAP-UHFFFAOYSA-N	-2	0	395.824	3.301	50	0		GGAARL
O=C(COc1ccccc1P(=O)([O-])[O-])N(c1ccccc1)c1ccccc1	ZINC000002783492	570514264	/nfs/dbraw/zinc/51/42/64/570514264.db2.gz	VAGJFISXVIDUKR-UHFFFAOYSA-N	-2	0	383.340	3.233	50	0		GGAARL
COc1cccc(C(Cc2c([O-])cc(C)oc2=O)Cc2c([O-])cc(C)oc2=O)c1	ZINC000016756394	570933052	/nfs/dbraw/zinc/93/30/52/570933052.db2.gz	BEMIRHHHMXSRHY-UHFFFAOYSA-N	-2	0	398.411	3.199	50	0		GGAARL
Cc1c(O[C@@H](C(=O)[O-])c2ccccc2)ccc2c(C)c(CC(=O)[O-])c(=O)oc12	ZINC000002094769	570941210	/nfs/dbraw/zinc/94/12/10/570941210.db2.gz	CVHZXNRCSXOQSV-LJQANCHMSA-N	-2	0	382.368	3.242	50	0	biogenic	GGAARL
CCCC[C@@H](NC(=O)CCc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-]	ZINC000002125258	570957568	/nfs/dbraw/zinc/95/75/68/570957568.db2.gz	NBZYRINBIDMMKE-CQSZACIVSA-N	-2	0	395.839	3.153	50	0	biogenic	GGAARL
Cc1c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2oc(=O)c1CCC(=O)[O-]	ZINC000002092891	206291496	/nfs/dbraw/zinc/29/14/96/206291496.db2.gz	IYTOIFHTZSYTAF-UHFFFAOYSA-N	-2	0	382.368	3.396	50	0	biogenic	GGAARL
C[C@@H](Oc1cc(O[C@@H](C)C(=O)[O-])cc2oc(-c3ccccc3)cc(=O)c12)C(=O)[O-]	ZINC000000941351	206335040	/nfs/dbraw/zinc/33/50/40/206335040.db2.gz	GJWPTOPCIQQNOL-NWDGAFQWSA-N	-2	0	398.367	3.164	50	0	biogenic	GGAARL
CC(Nc1cccc(C(=O)[O-])c1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000001274882	206370214	/nfs/dbraw/zinc/37/02/14/206370214.db2.gz	QEWYDTSREWJLLN-GDNBJRDFSA-N	-2	0	399.790	3.007	50	0		GGAARL
Cc1c(O[C@H](C(=O)[O-])c2ccccc2)ccc2c(C)c(CC(=O)[O-])c(=O)oc12	ZINC000002094767	206398610	/nfs/dbraw/zinc/39/86/10/206398610.db2.gz	CVHZXNRCSXOQSV-IBGZPJMESA-N	-2	0	382.368	3.242	50	0	biogenic	GGAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)NCCCCCC(=O)[O-]	ZINC000002113292	206399669	/nfs/dbraw/zinc/39/96/69/206399669.db2.gz	WLLYVHHKZLABHB-UHFFFAOYSA-N	-2	0	395.839	3.154	50	0	biogenic	GGAARL
COc1ccc(Br)c2c1C(=O)C[C@H]2CC(CC(=O)[O-])CC(=O)[O-]	ZINC000004014221	206498434	/nfs/dbraw/zinc/49/84/34/206498434.db2.gz	WFEBSHGATDZGEZ-SECBINFHSA-N	-2	0	385.210	3.083	50	0		GGAARL
CCOc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(SC)c4)c(=O)c2=3)cc1	ZINC000101277748	208390346	/nfs/dbraw/zinc/39/03/46/208390346.db2.gz	APFHFFGQHPMICI-IAGOWNOFSA-N	-2	0	382.445	3.305	50	0		GGAARL
O=C(CSc1nc2ccccc2s1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000002462314	570287994	/nfs/dbraw/zinc/28/79/94/570287994.db2.gz	OTCJEWTXQPQUGI-UHFFFAOYSA-N	-2	0	388.426	3.424	50	0		GGAARL
O=C([O-])CC[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002504846	570289020	/nfs/dbraw/zinc/28/90/20/570289020.db2.gz	JJSUQIKTDAOMSC-CYBMUJFWSA-N	-2	0	383.400	3.233	50	0		GGAARL
CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C1=O	ZINC000002433626	570664794	/nfs/dbraw/zinc/66/47/94/570664794.db2.gz	LWJQYUFJHQPXNZ-SZZFVQSKSA-N	-2	0	391.470	3.152	50	0		GGAARL
CC(=O)c1sc(=NC(=O)c2c[n-]c3c(cccc3C(F)(F)F)c2=O)[n-]c1C	ZINC000012421868	570672614	/nfs/dbraw/zinc/67/26/14/570672614.db2.gz	JZIRROPPEAHODR-UHFFFAOYSA-N	-2	0	395.362	3.189	50	0		GGAARL
Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2c(C)c(CC(=O)[O-])c(=O)oc12	ZINC000002147918	570971557	/nfs/dbraw/zinc/97/15/57/570971557.db2.gz	WFUFKDJUNYTJAW-UHFFFAOYSA-N	-2	0	382.368	3.314	50	0	biogenic	GGAARL
CCOc1nc(Oc2cccc(C(=O)[O-])c2)nc(Oc2cccc(C(=O)[O-])c2)n1	ZINC000002313848	1398307512	/nfs/dbraw/zinc/30/75/12/1398307512.db2.gz	HMAVMGYVGLNEKY-UHFFFAOYSA-N	-2	0	397.343	3.251	50	0		GGAARL
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C=CC1=O	ZINC000085550135	1410042824	/nfs/dbraw/zinc/04/28/24/1410042824.db2.gz	NCEXYHBECQHGNR-UHFFFAOYSA-N	-2	0	398.400	3.124	50	0	investigational	GGAARL
COc1ccc(Br)c2c1C(=O)C[C@@H]2CC(CC(=O)[O-])CC(=O)[O-]	ZINC000004014220	209459189	/nfs/dbraw/zinc/45/91/89/209459189.db2.gz	WFEBSHGATDZGEZ-VIFPVBQESA-N	-2	0	385.210	3.083	50	0		GGAARL
C[C@H](Oc1cc(O[C@@H](C)C(=O)[O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-]	ZINC000000941349	209280169	/nfs/dbraw/zinc/28/01/69/209280169.db2.gz	GJWPTOPCIQQNOL-RYUDHWBXSA-N	-2	0	398.367	3.164	50	0	biogenic	GGAARL
O=C([O-])c1cccc(C(=O)N2CCC[C@@](Cc3ccc(F)cc3)(C(=O)[O-])C2)c1	ZINC000071765555	211060830	/nfs/dbraw/zinc/06/08/30/211060830.db2.gz	MZSPUQJDNNUKCT-NRFANRHFSA-N	-2	0	385.391	3.074	50	0		GGAARL
CCOc1ccc(C(=O)C[C@H](C(=O)[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000020247250	210323759	/nfs/dbraw/zinc/32/37/59/210323759.db2.gz	GUZIKWYQZFZXLF-ICSRJNTNSA-N	-2	0	394.427	3.398	50	0		GGAARL
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1	ZINC000000797266	564180431	/nfs/dbraw/zinc/18/04/31/564180431.db2.gz	VRBXTDYCYOVCGO-UHFFFAOYSA-N	-2	0	398.234	3.151	50	0		GGAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1	ZINC000001165152	564184463	/nfs/dbraw/zinc/18/44/63/564184463.db2.gz	SDTYZUUKHZAHOI-UHFFFAOYSA-N	-2	0	375.324	3.213	50	0		GGAARL
CCOc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(OCC)cc1C	ZINC000032601659	570512149	/nfs/dbraw/zinc/51/21/49/570512149.db2.gz	ZCZKPOYQNDHQHO-UHFFFAOYSA-N	-2	0	379.434	3.291	50	0		GGAARL
CCOC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])c2ccccc2[nH]c1=O	ZINC000072325856	570674103	/nfs/dbraw/zinc/67/41/03/570674103.db2.gz	AGSUZZNXLPSSNS-HNNXBMFYSA-N	-2	0	381.384	3.017	50	0	biogenic	GGAARL
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)[O-])cc1	ZINC000008606691	1398841537	/nfs/dbraw/zinc/84/15/37/1398841537.db2.gz	WUQRDZDZZLPOOM-UHFFFAOYSA-N	-2	0	388.470	3.395	50	0		GGAARL
COc1ccc(C(Cc2c([O-])cc(C)oc2=O)Cc2c([O-])cc(C)oc2=O)cc1	ZINC000016756397	221370898	/nfs/dbraw/zinc/37/08/98/221370898.db2.gz	GBXPDGYBOUQOHN-UHFFFAOYSA-N	-2	0	398.411	3.199	50	0		GGAARL
Cc1cc([O-])c(CC(Cc2c([O-])cc(C)oc2=O)c2ccccc2F)c(=O)o1	ZINC000016756413	221371400	/nfs/dbraw/zinc/37/14/00/221371400.db2.gz	OSOOHJAEEOHTNQ-UHFFFAOYSA-N	-2	0	386.375	3.329	50	0		GGAARL
Cc1ccc(-c2nc(SCC(=O)[O-])c(S(=O)(=O)c3ccccc3)[n-]2)cc1	ZINC000016837145	221372044	/nfs/dbraw/zinc/37/20/44/221372044.db2.gz	CKLWLGWEZWGIPA-UHFFFAOYSA-N	-2	0	388.470	3.395	50	0		GGAARL
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000055161912	222016608	/nfs/dbraw/zinc/01/66/08/222016608.db2.gz	FGKBEQMQAJSEQI-SFHVURJKSA-N	-2	0	383.400	3.185	50	0		GGAARL
CCOc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(OCC)cc1C	ZINC000032601562	570247170	/nfs/dbraw/zinc/24/71/70/570247170.db2.gz	OQMVFPNHVRHOEV-UHFFFAOYSA-N	-2	0	379.434	3.291	50	0		GGAARL
O=C([O-])c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc(C(=O)[O-])c1	ZINC000001163323	570252371	/nfs/dbraw/zinc/25/23/71/570252371.db2.gz	TVZAEGLECAGMMJ-UHFFFAOYSA-N	-2	0	394.339	3.181	50	0		GGAARL
O=C([O-])CS[C@@H](CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-]	ZINC000045068853	570271945	/nfs/dbraw/zinc/27/19/45/570271945.db2.gz	GWZMHOAZVDAVRC-INIZCTEOSA-N	-2	0	380.368	3.476	50	0		GGAARL
CCOc1ccc(C(=O)C[C@@H](C(=O)[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000005196934	570431245	/nfs/dbraw/zinc/43/12/45/570431245.db2.gz	GUZIKWYQZFZXLF-UYAOXDASSA-N	-2	0	394.427	3.398	50	0		GGAARL
CC(=O)C=C([O-])c1ccc(OCCOc2ccc(C([O-])=CC(C)=O)cc2)cc1	ZINC000005297795	570433328	/nfs/dbraw/zinc/43/33/28/570433328.db2.gz	MGRCJGDLCXWTIW-UHFFFAOYSA-N	-2	0	382.412	3.468	50	0		GGAARL
O=C([O-])c1ccc(Nc2nc(Nc3ccc(O)c(C(=O)[O-])c3)ncc2F)cc1	ZINC000170621832	570877268	/nfs/dbraw/zinc/87/72/68/570877268.db2.gz	PHIFHAMNDTVZOH-UHFFFAOYSA-N	-2	0	384.323	3.205	50	0		GGAARL
CCC(Nc1ccc(C(=O)[O-])cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000008997191	1398851535	/nfs/dbraw/zinc/85/15/35/1398851535.db2.gz	CZUOGPYJHSGOQX-BMRADRMJSA-N	-2	0	393.399	3.052	50	0		GGAARL
CCC(Nc1cccc(C(=O)[O-])c1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000009109510	1398853800	/nfs/dbraw/zinc/85/38/00/1398853800.db2.gz	JUIMYQBGPIRFQF-BMRADRMJSA-N	-2	0	393.399	3.052	50	0		GGAARL