smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)C=C([O-])c2cnc([N-]S(=O)(=O)c3ccccc3)nc2)cc1	ZINC000408532114	231053137	/nfs/dbraw/zinc/05/31/37/231053137.db2.gz	NNYPRIHUZRYFEX-UHFFFAOYSA-N	-2	0	395.440	3.042	40	0		GGABRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1	ZINC000578394092	570223007	/nfs/dbraw/zinc/22/30/07/570223007.db2.gz	BDMNPTYXYIHQJL-UHFFFAOYSA-N	-2	0	377.466	3.224	40	0		GGABRL
Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)cc1C(=O)[O-]	ZINC000048382969	570249967	/nfs/dbraw/zinc/24/99/67/570249967.db2.gz	GPSKXUNFRWIVGG-UHFFFAOYSA-N	-2	0	385.445	3.047	40	0		GGABRL
O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1-2	ZINC000001688061	570267285	/nfs/dbraw/zinc/26/72/85/570267285.db2.gz	XYHFOCVVLDYSPO-IWAYRVGRSA-N	-2	0	390.317	3.014	40	0		GGABRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)cc1	ZINC000025509952	570414995	/nfs/dbraw/zinc/41/49/95/570414995.db2.gz	WREPCJPSISAYLH-UHFFFAOYSA-N	-2	0	393.314	3.266	40	0		GGABRL
CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000226857868	570461844	/nfs/dbraw/zinc/46/18/44/570461844.db2.gz	BZMZHLBCVLLNTK-UHFFFAOYSA-N	-2	0	391.445	3.387	40	0		GGABRL
Cc1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[O-])n1	ZINC000006329204	1398542953	/nfs/dbraw/zinc/54/29/53/1398542953.db2.gz	ZHJHDBJIJHUWDZ-SXGWCWSVSA-N	-2	0	398.444	3.437	40	0		GGABRL
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000006563800	1398559980	/nfs/dbraw/zinc/55/99/80/1398559980.db2.gz	MBWBQONLJCZJOH-OXBCTQFSSA-N	-2	0	379.459	3.085	40	0		GGABRL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)o2)c1	ZINC000008477181	1398833541	/nfs/dbraw/zinc/83/35/41/1398833541.db2.gz	KYCJYFNNCXYYCZ-WJDWOHSUSA-N	-2	0	394.383	3.049	40	0		GGABRL
CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000281185135	962862309	/nfs/dbraw/zinc/86/23/09/962862309.db2.gz	QWUVMTAODFOMNI-UHFFFAOYSA-N	-2	0	391.371	3.061	40	0		GGABRL
O=C([O-])CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2s1	ZINC000408750656	231111845	/nfs/dbraw/zinc/11/18/45/231111845.db2.gz	PYSNPWYMFAQVQM-WDEREUQCSA-N	-2	0	394.474	3.303	40	0		GGABRL
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(C)c(C(=O)[O-])s1	ZINC000020156605	531580971	/nfs/dbraw/zinc/58/09/71/531580971.db2.gz	ASZGHAYOPKPJME-UHFFFAOYSA-N	-2	0	376.843	3.003	40	0		GGABRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)o1	ZINC000016283232	207073871	/nfs/dbraw/zinc/07/38/71/207073871.db2.gz	SQOVUKBKSSNHAT-AUWJEWJLSA-N	-2	0	387.369	3.074	40	0		GGABRL
O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1-2	ZINC000017315437	207089049	/nfs/dbraw/zinc/08/90/49/207089049.db2.gz	XYHFOCVVLDYSPO-QWPQOLDESA-N	-2	0	390.317	3.014	40	0		GGABRL
COc1cc(O)c(C(=O)O[C@H](C)CCCC(=O)[O-])c(/C=C/CCC(=O)[O-])c1	ZINC000225413640	208950470	/nfs/dbraw/zinc/95/04/70/208950470.db2.gz	MCUNKRJPMLTYCD-QDBLGGKGSA-N	-2	0	380.393	3.079	40	0	biogenic,in-vitro	GGABRL
C[C@@H](Oc1ccc(-c2coc3cc(O[C@@H](C)C(=O)[O-])ccc3c2=O)cc1)C(=O)[O-]	ZINC000263583550	209082845	/nfs/dbraw/zinc/08/28/45/209082845.db2.gz	JIQUCHWKYADIBO-NEPJUHHUSA-N	-2	0	398.367	3.164	40	0		GGABRL
CC(C)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(F)F)n1	ZINC000536414485	566370657	/nfs/dbraw/zinc/37/06/57/566370657.db2.gz	LXXRPTRJXOJFID-UHFFFAOYSA-N	-2	0	379.410	3.037	40	0		GGABRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)o1	ZINC000009324353	570555019	/nfs/dbraw/zinc/55/50/19/570555019.db2.gz	SQOVUKBKSSNHAT-VGOFMYFVSA-N	-2	0	387.369	3.074	40	0		GGABRL
Cc1cc(O[C@@H](C(=O)[O-])c2ccccc2)c2c(C)c(CC(=O)[O-])c(=O)oc2c1	ZINC000005547137	570630862	/nfs/dbraw/zinc/63/08/62/570630862.db2.gz	RVQKGJXMZMRLBQ-LJQANCHMSA-N	-2	0	382.368	3.242	40	0		GGABRL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)c1	ZINC000025509911	570756941	/nfs/dbraw/zinc/75/69/41/570756941.db2.gz	IUNRFTVNNUTOLI-UHFFFAOYSA-N	-2	0	393.314	3.266	40	0		GGABRL
Cc1n[nH]c(SC(=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)[O-])n1	ZINC000006329561	1398542972	/nfs/dbraw/zinc/54/29/72/1398542972.db2.gz	JPBZVTRYMLYILR-SXGWCWSVSA-N	-2	0	398.444	3.437	40	0		GGABRL
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000006635791	1398564316	/nfs/dbraw/zinc/56/43/16/1398564316.db2.gz	KIDKMNWRVZKTDM-OQZOHAQUSA-N	-2	0	379.459	3.229	40	0		GGABRL
CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000226856057	1433369141	/nfs/dbraw/zinc/36/91/41/1433369141.db2.gz	ZVHKRLSTOQXAGH-UHFFFAOYSA-N	-2	0	397.836	3.342	40	0		GGABRL
Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2	ZINC000273462860	1434990270	/nfs/dbraw/zinc/99/02/70/1434990270.db2.gz	OKYVNNYLWYAZLR-UHFFFAOYSA-N	-2	0	385.392	3.034	40	0		GGABRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)n(C2CCCCC2)n1	ZINC000290505633	962895230	/nfs/dbraw/zinc/89/52/30/962895230.db2.gz	LETMTNKLJPQPQE-UHFFFAOYSA-N	-2	0	393.465	3.204	40	0		GGABRL
Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1C1CCCCC1	ZINC000290582716	962897812	/nfs/dbraw/zinc/89/78/12/962897812.db2.gz	WBXSNDIMZMBCGM-UHFFFAOYSA-N	-2	0	377.466	3.125	40	0		GGABRL
O=C([O-])CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2s1	ZINC000408750655	231111655	/nfs/dbraw/zinc/11/16/55/231111655.db2.gz	PYSNPWYMFAQVQM-QWRGUYRKSA-N	-2	0	394.474	3.303	40	0		GGABRL
CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000226860583	211482797	/nfs/dbraw/zinc/48/27/97/211482797.db2.gz	BOOSFXWWRMNYQT-UHFFFAOYSA-N	-2	0	397.836	3.342	40	0		GGABRL
COc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000007604095	564238779	/nfs/dbraw/zinc/23/87/79/564238779.db2.gz	PKPHUKRUMJCMNG-UHFFFAOYSA-N	-2	0	381.178	3.433	40	0		GGABRL
COc1c(Cl)c(C)c(Cl)c([O-])c1C(=O)c1c([O-])cc(O)cc1C(=O)[O-]	ZINC000031158126	564387169	/nfs/dbraw/zinc/38/71/69/564387169.db2.gz	WTLZPZUWOZQDLR-UHFFFAOYSA-N	-3	0	387.171	3.356	40	0	biogenic,in-vitro	GGABRL
CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000270410449	565218512	/nfs/dbraw/zinc/21/85/12/565218512.db2.gz	HTRVEZZAQQUGKA-UHFFFAOYSA-N	-2	0	378.328	3.063	40	0		GGABRL
Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)sc1C(=O)[O-]	ZINC000554689176	567741566	/nfs/dbraw/zinc/74/15/66/567741566.db2.gz	DIVFFRLFFYAAHO-UHFFFAOYSA-N	-2	0	383.495	3.285	40	0		GGABRL
O=C([O-])CSc1nc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2s1	ZINC000059449158	570654344	/nfs/dbraw/zinc/65/43/44/570654344.db2.gz	RBBFZWCFBOZNCV-UHFFFAOYSA-N	-2	0	388.426	3.424	40	0		GGABRL
C[C@@H](C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)[O-]	ZINC000055161997	570685128	/nfs/dbraw/zinc/68/51/28/570685128.db2.gz	SEUCQHVSWRYVPR-SGTLLEGYSA-N	-2	0	383.400	3.089	40	0		GGABRL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)o2)cc1	ZINC000008477198	1398833552	/nfs/dbraw/zinc/83/35/52/1398833552.db2.gz	AEJFWQPMFMHUGE-LFIBNONCSA-N	-2	0	394.383	3.049	40	0		GGABRL
O=C([O-])c1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C(=O)[O-])c1	ZINC000217727347	222581352	/nfs/dbraw/zinc/58/13/52/222581352.db2.gz	ANQVAQUDYYHEKW-UHFFFAOYSA-N	-2	0	384.171	3.407	40	0		GGABRL
O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1-2	ZINC000001688059	212254122	/nfs/dbraw/zinc/25/41/22/212254122.db2.gz	XYHFOCVVLDYSPO-OZSKJFCKSA-N	-2	0	390.317	3.014	40	0		GGABRL
C[C@H](C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)[O-]	ZINC000055162001	222015295	/nfs/dbraw/zinc/01/52/95/222015295.db2.gz	SEUCQHVSWRYVPR-XIKOKIGWSA-N	-2	0	383.400	3.089	40	0		GGABRL
O=C([O-])/C=C/c1cccc(/C(Br)=C(\Br)C(=O)[O-])c1	ZINC000003844950	564200244	/nfs/dbraw/zinc/20/02/44/564200244.db2.gz	PARKLSRWLGCULU-PMXBNEBOSA-N	-2	0	376.000	3.327	40	0		GGABRL
O=C([O-])C1=C(C(=O)[O-])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl	ZINC000004783470	564207653	/nfs/dbraw/zinc/20/76/53/564207653.db2.gz	JPAOORFAQUPSBP-OCAPTIKFSA-N	-2	0	386.829	3.298	40	0		GGABRL
Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1[C@H](C)C1CC1	ZINC000542233735	566784821	/nfs/dbraw/zinc/78/48/21/566784821.db2.gz	WDKZAOLTCLTYNP-SNVBAGLBSA-N	-2	0	383.857	3.315	40	0		GGABRL
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n[nH]1	ZINC000223257276	570453822	/nfs/dbraw/zinc/45/38/22/570453822.db2.gz	LHJAMELTDSZVHT-UHFFFAOYSA-N	-2	0	385.445	3.203	40	0		GGABRL
CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000226857258	570461802	/nfs/dbraw/zinc/46/18/02/570461802.db2.gz	QJPKOUNSLNBLII-UHFFFAOYSA-N	-2	0	391.445	3.387	40	0		GGABRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2)cc1	ZINC000007050861	570770360	/nfs/dbraw/zinc/77/03/60/570770360.db2.gz	BFGSBVBUGYMRIX-UHFFFAOYSA-N	-2	0	396.424	3.438	40	0		GGABRL
C[C@@H](Oc1ccc2c(c1)occ(-c1ccc(O[C@@H](C)C(=O)[O-])cc1)c2=O)C(=O)[O-]	ZINC000263583551	570794344	/nfs/dbraw/zinc/79/43/44/570794344.db2.gz	JIQUCHWKYADIBO-NWDGAFQWSA-N	-2	0	398.367	3.164	40	0		GGABRL
CCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cc1Cl	ZINC000020156607	531579366	/nfs/dbraw/zinc/57/93/66/531579366.db2.gz	ROCQROVYLNIFDP-UHFFFAOYSA-N	-2	0	376.843	3.003	40	0		GGABRL
COC(=O)c1[n-]nc(-c2ccccc2-c2ccccc2C(=O)[O-])c1C(=O)OC	ZINC000005012718	204101965	/nfs/dbraw/zinc/10/19/65/204101965.db2.gz	IRRXYJGQZPRYQF-UHFFFAOYSA-N	-2	0	380.356	3.015	40	0		GGABRL
C[C@H](C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)[O-]	ZINC000071606126	205286046	/nfs/dbraw/zinc/28/60/46/205286046.db2.gz	SEUCQHVSWRYVPR-KZULUSFZSA-N	-2	0	383.400	3.089	40	0		GGABRL
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000013340644	205887081	/nfs/dbraw/zinc/88/70/81/205887081.db2.gz	XWYWSJNNTXQVCJ-UHFFFAOYSA-N	-2	0	383.809	3.016	40	0		GGABRL
O=C([O-])c1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(C(=O)[O-])c1	ZINC000217727461	205940254	/nfs/dbraw/zinc/94/02/54/205940254.db2.gz	DTYMHLGANUROSC-UHFFFAOYSA-N	-2	0	384.171	3.407	40	0		GGABRL
C[C@H](Oc1ccc(-c2coc3cc(O[C@@H](C)C(=O)[O-])ccc3c2=O)cc1)C(=O)[O-]	ZINC000263583552	206185498	/nfs/dbraw/zinc/18/54/98/206185498.db2.gz	JIQUCHWKYADIBO-RYUDHWBXSA-N	-2	0	398.367	3.164	40	0		GGABRL
Cc1nnc(SC(=Cc2cc(Br)cc(Cl)c2[O-])C(=O)[O-])[nH]1	ZINC000008272182	564248301	/nfs/dbraw/zinc/24/83/01/564248301.db2.gz	GQRKMBKYSILYGG-OQFOIZHKSA-N	-2	0	390.646	3.452	40	0		GGABRL
Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1[C@@H](C)C1CC1	ZINC000542233730	566785711	/nfs/dbraw/zinc/78/57/11/566785711.db2.gz	WDKZAOLTCLTYNP-JTQLQIEISA-N	-2	0	383.857	3.315	40	0		GGABRL
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]1	ZINC000223371490	570462138	/nfs/dbraw/zinc/46/21/38/570462138.db2.gz	ICGXOLFTJHRRRT-UHFFFAOYSA-N	-2	0	375.381	3.023	40	0		GGABRL
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n[nH]1	ZINC000223372914	570462640	/nfs/dbraw/zinc/46/26/40/570462640.db2.gz	GUQPVWJIBLJDRH-UHFFFAOYSA-N	-2	0	375.381	3.023	40	0		GGABRL
Cc1cc(O[C@H](C(=O)[O-])c2ccccc2)c2c(C)c(CC(=O)[O-])c(=O)oc2c1	ZINC000005547135	570630914	/nfs/dbraw/zinc/63/09/14/570630914.db2.gz	RVQKGJXMZMRLBQ-IBGZPJMESA-N	-2	0	382.368	3.242	40	0		GGABRL
Cc1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)nn1[C@@H](C)C1CC1	ZINC000544096744	570676726	/nfs/dbraw/zinc/67/67/26/570676726.db2.gz	NGVDHKVOGTTWSZ-NSHDSACASA-N	-2	0	381.429	3.109	40	0		GGABRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=Nc3ccc4[nH]c(=O)[nH]c4c3)o2)c1	ZINC000245228098	570908041	/nfs/dbraw/zinc/90/80/41/570908041.db2.gz	DCIAVNWWYHLBLA-UHFFFAOYSA-N	-2	0	391.339	3.263	40	0		GGABRL
CCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O	ZINC000006325788	1398542290	/nfs/dbraw/zinc/54/22/90/1398542290.db2.gz	GOOYOLCUHZDOOH-RIYZIHGNSA-N	-2	0	387.369	3.399	40	0		GGABRL
S=C([S-])OCCSc1nnc(SCCOC(=S)[S-])s1	ZINC000001571321	206385650	/nfs/dbraw/zinc/38/56/50/206385650.db2.gz	KKJZXWKAUTWCOV-UHFFFAOYSA-N	-2	0	390.649	3.185	40	0		GGABRL
O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1-2	ZINC000017315440	207090191	/nfs/dbraw/zinc/09/01/91/207090191.db2.gz	XYHFOCVVLDYSPO-ZPUOCTKUSA-N	-2	0	390.317	3.014	40	0		GGABRL
C[C@@H](C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)[O-]	ZINC000071606124	207945908	/nfs/dbraw/zinc/94/59/08/207945908.db2.gz	SEUCQHVSWRYVPR-KPZWWZAWSA-N	-2	0	383.400	3.089	40	0		GGABRL
O=c1[nH]c(-c2cc(Cl)ccc2OP(=O)([O-])[O-])nc2ccc(Cl)cc12	ZINC000005117267	564212445	/nfs/dbraw/zinc/21/24/45/564212445.db2.gz	IXZONVAEGFOVSF-UHFFFAOYSA-N	-2	0	387.115	3.368	40	0	in-vitro	GGABRL
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000071609827	570841411	/nfs/dbraw/zinc/84/14/11/570841411.db2.gz	FGKBEQMQAJSEQI-GOSISDBHSA-N	-2	0	383.400	3.185	40	0		GGABRL
O=C([O-])CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2s1	ZINC000408750653	231111767	/nfs/dbraw/zinc/11/17/67/231111767.db2.gz	PYSNPWYMFAQVQM-GHMZBOCLSA-N	-2	0	394.474	3.303	40	0		GGABRL
O=C([O-])CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2s1	ZINC000408750654	231111914	/nfs/dbraw/zinc/11/19/14/231111914.db2.gz	PYSNPWYMFAQVQM-MNOVXSKESA-N	-2	0	394.474	3.303	40	0		GGABRL
O=[P@@]([O-])(O)[C@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000001886808	209341367	/nfs/dbraw/zinc/34/13/67/209341367.db2.gz	RCGCZPXSRLLKCK-INIZCTEOSA-N	-2	0	386.362	3.193	40	0	in-vivo	GGABRL
COc1cc(O)c(C(=O)O[C@@H](C)CCCC(=O)[O-])c(/C=C/CCC(=O)[O-])c1	ZINC000225413681	211894966	/nfs/dbraw/zinc/89/49/66/211894966.db2.gz	MCUNKRJPMLTYCD-QBODLPLBSA-N	-2	0	380.393	3.079	40	0	biogenic,in-vitro	GGABRL
COC(=O)c1cc(OC)c(Cl)c([O-])c1Oc1cc(C)cc(O)c1C(=O)[O-]	ZINC000001485315	560180684	/nfs/dbraw/zinc/18/06/84/560180684.db2.gz	CAXGJVQIPWBEJY-UHFFFAOYSA-N	-2	0	382.752	3.345	40	0	biogenic,in-vitro	GGABRL
COc1cc(S(=O)(=O)[N-]c2c(C)noc2C2CC2)c(Cl)cc1C(=O)[O-]	ZINC000463788816	566434682	/nfs/dbraw/zinc/43/46/82/566434682.db2.gz	SHKCZOIQLAWOSN-UHFFFAOYSA-N	-2	0	386.813	3.021	40	0		GGABRL
O=C([O-])c1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc(C(=O)[O-])c1	ZINC000217727586	570320623	/nfs/dbraw/zinc/32/06/23/570320623.db2.gz	LSTGVCCBBYRGLG-UHFFFAOYSA-N	-2	0	383.278	3.119	40	0		GGABRL
Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C	ZINC000273503861	1434993021	/nfs/dbraw/zinc/99/30/21/1434993021.db2.gz	ZAFUMURFFAEOKV-UHFFFAOYSA-N	-2	0	387.408	3.009	40	0		GGABRL
Cc1nnc(SC(=Cc2cc(Cl)cc(Br)c2[O-])C(=O)[O-])[nH]1	ZINC000008272179	564248283	/nfs/dbraw/zinc/24/82/83/564248283.db2.gz	HGPLCCFYMJQKOE-OQFOIZHKSA-N	-2	0	390.646	3.452	40	0		GGABRL
COc1cc(C(=O)[O-])cc2c1OC1(C=C2)C=Cc2cc(C(=O)[O-])cc(OC)c2O1	ZINC000005512536	570443550	/nfs/dbraw/zinc/44/35/50/570443550.db2.gz	DAQKYEWGBOBAFI-UHFFFAOYSA-N	-2	0	396.351	3.308	40	0		GGABRL
CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000223370387	570462302	/nfs/dbraw/zinc/46/23/02/570462302.db2.gz	MONJUSVTNDQNKS-UHFFFAOYSA-N	-2	0	395.408	3.282	40	0		GGABRL
Cc1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)nn1[C@H](C)C1CC1	ZINC000544096739	570676621	/nfs/dbraw/zinc/67/66/21/570676621.db2.gz	NGVDHKVOGTTWSZ-LLVKDONJSA-N	-2	0	381.429	3.109	40	0		GGABRL
C[C@@H](Oc1ccc(-c2coc3cc(O[C@H](C)C(=O)[O-])ccc3c2=O)cc1)C(=O)[O-]	ZINC000263583553	570794416	/nfs/dbraw/zinc/79/44/16/570794416.db2.gz	JIQUCHWKYADIBO-VXGBXAGGSA-N	-2	0	398.367	3.164	40	0		GGABRL