smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(C(C)(C)[C@@H](CC(=O)[O-])C(=O)O)cc1	ZINC000002046392	371714886	/nfs/dbraw/zinc/71/48/86/371714886.db2.gz	YOIMXRLWYNJPDF-LBPRGKRZSA-N	-1	2	264.321	2.702	40	0		CFABLM
CSc1nc2nc(SC)nc(SC)c2[nH]1	ZINC000008581274	170341630	/nfs/dbraw/zinc/34/16/30/170341630.db2.gz	UZAPFPBAOCDVSF-UHFFFAOYSA-N	-1	2	258.397	2.519	40	0		CFABLM
O=C(O)C[C@@H](C(=O)[O-])C1c2ccccc2-c2ccccc21	ZINC000002042286	371713745	/nfs/dbraw/zinc/71/37/45/371713745.db2.gz	HGTCLOVEROWTJE-CQSZACIVSA-N	-1	2	282.295	2.974	40	0	in-vitro	CFABLM
CC(C)(C)c1ccc([C@H](CC(=O)O)C(=O)[O-])cc1	ZINC000041305556	278561471	/nfs/dbraw/zinc/56/14/71/278561471.db2.gz	JZHIQBGRSFYULH-NSHDSACASA-N	-1	2	250.294	2.627	40	0		CFABLM
COc1ccc(C(=O)[O-])cc1Oc1cc(C=O)ccc1O	ZINC000034175583	372507245	/nfs/dbraw/zinc/50/72/45/372507245.db2.gz	ZULGBROEAWAPKY-UHFFFAOYSA-N	-1	2	288.255	2.704	40	0	biogenic,in-vitro	CFABLM
Nc1ccc2c(c1)[C@H]([C@@H](CC(=O)O)C(=O)[O-])c1ccccc1-2	ZINC000096527898	393837834	/nfs/dbraw/zinc/83/78/34/393837834.db2.gz	MFZIKAANRRDXEN-GDBMZVCRSA-N	-1	2	297.310	2.557	40	0		CFABLM
CC(C)=C[C@@H]1C=C(C)[C@@H](C)[C@H](C(=O)O)[C@@H]1C(=O)[O-]	ZINC000004023366	371829574	/nfs/dbraw/zinc/82/95/74/371829574.db2.gz	YBNXSKCLVOXLPW-WISYIIOYSA-N	-1	2	252.310	2.566	40	0		CFABLM
CC(C)=C[C@H]1C=C(C)[C@H](C)[C@H](C(=O)O)[C@@H]1C(=O)[O-]	ZINC000101245264	278667694	/nfs/dbraw/zinc/66/76/94/278667694.db2.gz	YBNXSKCLVOXLPW-FIQHERPVSA-N	-1	2	252.310	2.566	40	0		CFABLM
O=C(O)C[C@@H](C(=O)[O-])C(c1ccccc1)c1ccccc1	ZINC000001684903	371699209	/nfs/dbraw/zinc/69/92/09/371699209.db2.gz	BQWSDOJNHRPFNW-CQSZACIVSA-N	-1	2	284.311	2.994	40	0		CFABLM
Nc1ccc2c(c1)[C@H]([C@H](CC(=O)O)C(=O)[O-])c1ccccc1-2	ZINC000096527902	393837648	/nfs/dbraw/zinc/83/76/48/393837648.db2.gz	MFZIKAANRRDXEN-GOEBONIOSA-N	-1	2	297.310	2.557	40	0		CFABLM
O=C(c1ccccc1)[C@@H](O[P@](=O)([O-])O)c1ccccc1	ZINC000001599696	371686926	/nfs/dbraw/zinc/68/69/26/371686926.db2.gz	OPFZBJUCCIAOAC-AWEZNQCLSA-N	-1	2	292.227	2.720	40	0		CFABLM
O=C(c1ccccc1)[C@@H](O[P@@](=O)([O-])O)c1ccccc1	ZINC000001599696	371686930	/nfs/dbraw/zinc/68/69/30/371686930.db2.gz	OPFZBJUCCIAOAC-AWEZNQCLSA-N	-1	2	292.227	2.720	40	0		CFABLM
CC(C)(C)n1c(=O)c2ccc(C(=O)[O-])cc2[nH]c1=S	ZINC000015424388	372083854	/nfs/dbraw/zinc/08/38/54/372083854.db2.gz	RIZOCRUIUCZYGJ-UHFFFAOYSA-N	-1	2	278.333	2.512	40	0		CFABLM
Nc1ccc2c(c1)[C@@H]([C@H](CC(=O)O)C(=O)[O-])c1ccccc1-2	ZINC000096527904	393837682	/nfs/dbraw/zinc/83/76/82/393837682.db2.gz	MFZIKAANRRDXEN-HOCLYGCPSA-N	-1	2	297.310	2.557	40	0		CFABLM
Nc1ccc2c(c1)[C@@H]([C@@H](CC(=O)O)C(=O)[O-])c1ccccc1-2	ZINC000096527900	393837797	/nfs/dbraw/zinc/83/77/97/393837797.db2.gz	MFZIKAANRRDXEN-ZBFHGGJFSA-N	-1	2	297.310	2.557	40	0		CFABLM
O=C(O)C[C@H](C(=O)[O-])C(c1ccccc1)c1ccccc1	ZINC000006344082	170194488	/nfs/dbraw/zinc/19/44/88/170194488.db2.gz	BQWSDOJNHRPFNW-AWEZNQCLSA-N	-1	2	284.311	2.994	40	0		CFABLM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccccc1S	ZINC000004157352	371838855	/nfs/dbraw/zinc/83/88/55/371838855.db2.gz	PZWNQZHQVXUAPX-PSJXJDHFSA-N	-1	2	291.372	2.661	40	0		CFABLM
COc1ccc(NC(=S)SCCC(=O)[O-])cc1	ZINC000005639914	170123082	/nfs/dbraw/zinc/12/30/82/170123082.db2.gz	JQKOWOSKOHZVFV-UHFFFAOYSA-N	-1	2	271.363	2.600	40	0		CFABLM
O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccccc2S)[C@@H]2CC[C@H]1C2	ZINC000004157349	304160126	/nfs/dbraw/zinc/16/01/26/304160126.db2.gz	PZWNQZHQVXUAPX-DTVLGXAZSA-N	-1	2	291.372	2.661	40	0		CFABLM
O=C([O-])C(CCCCCc1ccccc1)C(=O)O	ZINC000001594154	371684617	/nfs/dbraw/zinc/68/46/17/371684617.db2.gz	LTJCYSRJKDVQDM-UHFFFAOYSA-N	-1	2	250.294	2.575	40	0		CFABLM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1S	ZINC000012563232	371975790	/nfs/dbraw/zinc/97/57/90/371975790.db2.gz	PZWNQZHQVXUAPX-FQPOAREZSA-N	-1	2	291.372	2.661	40	0		CFABLM
O=C([O-])C(C(=O)O)C(c1ccccc1)c1ccccc1	ZINC000001709157	371700417	/nfs/dbraw/zinc/70/04/17/371700417.db2.gz	GVSOIHLBHAKZIV-UHFFFAOYSA-N	-1	2	270.284	2.604	40	0		CFABLM
O=C([O-])Cc1c(O)c(Cl)c(Cl)c(O)c1Cl	ZINC000033825195	304087894	/nfs/dbraw/zinc/08/78/94/304087894.db2.gz	FTKJYNZDVGTEOJ-UHFFFAOYSA-N	-1	2	271.483	2.685	40	0		CFABLM
CC(C)=C[C@H]1C=C(C)[C@@H](C)[C@H](C(=O)O)[C@@H]1C(=O)[O-]	ZINC000101245267	375635254	/nfs/dbraw/zinc/63/52/54/375635254.db2.gz	YBNXSKCLVOXLPW-NOOOWODRSA-N	-1	2	252.310	2.566	40	0		CFABLM
CCc1ccc(C(C)(C)[C@H](CC(=O)[O-])C(=O)O)cc1	ZINC000001571208	371681647	/nfs/dbraw/zinc/68/16/47/371681647.db2.gz	YOIMXRLWYNJPDF-GFCCVEGCSA-N	-1	2	264.321	2.702	40	0		CFABLM
O=C([O-])C(Cc1cccs1)(Cc1cccs1)C(=O)O	ZINC000001593046	371685207	/nfs/dbraw/zinc/68/52/07/371685207.db2.gz	KWTRGVJNRUADEC-UHFFFAOYSA-N	-1	2	296.369	2.750	40	0		CFABLM
O=C(c1ccccc1)[C@H](O[P@](=O)([O-])O)c1ccccc1	ZINC000006582056	170215822	/nfs/dbraw/zinc/21/58/22/170215822.db2.gz	OPFZBJUCCIAOAC-CQSZACIVSA-N	-1	2	292.227	2.720	40	0		CFABLM
O=C(c1ccccc1)[C@H](O[P@@](=O)([O-])O)c1ccccc1	ZINC000006582056	170215823	/nfs/dbraw/zinc/21/58/23/170215823.db2.gz	OPFZBJUCCIAOAC-CQSZACIVSA-N	-1	2	292.227	2.720	40	0		CFABLM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccccc1S	ZINC000102066312	304210667	/nfs/dbraw/zinc/21/06/67/304210667.db2.gz	PZWNQZHQVXUAPX-ZFWZSOMGSA-N	-1	2	291.372	2.661	40	0		CFABLM
CC(Cc1cccc2ccccc21)(C(=O)[O-])C(=O)O	ZINC000001577308	371682744	/nfs/dbraw/zinc/68/27/44/371682744.db2.gz	LOOMLJQVFZAXDN-UHFFFAOYSA-N	-1	2	258.273	2.558	40	0		CFABLM
O=C(O)C[C@H](C(=O)[O-])C1c2ccccc2-c2ccccc21	ZINC000001733717	371703192	/nfs/dbraw/zinc/70/31/92/371703192.db2.gz	HGTCLOVEROWTJE-AWEZNQCLSA-N	-1	2	282.295	2.974	40	0	in-vitro	CFABLM
CC(C)=C[C@@H]1C=C(C)[C@@H](C)[C@@H](C(=O)O)[C@@H]1C(=O)[O-]	ZINC000004023367	371829610	/nfs/dbraw/zinc/82/96/10/371829610.db2.gz	YBNXSKCLVOXLPW-DDHJBXDOSA-N	-1	2	252.310	2.566	40	0		CFABLM
Cc1ccc(Oc2ccc(C)cc2[P@@](=O)([O-])O)cc1	ZINC000001870304	371710109	/nfs/dbraw/zinc/71/01/09/371710109.db2.gz	DDYAPAJXOFWKJQ-UHFFFAOYSA-N	-1	2	278.244	2.899	40	0		CFABLM
Cc1ccc(Oc2ccc(C)cc2[P@](=O)([O-])O)cc1	ZINC000001870304	371710117	/nfs/dbraw/zinc/71/01/17/371710117.db2.gz	DDYAPAJXOFWKJQ-UHFFFAOYSA-N	-1	2	278.244	2.899	40	0		CFABLM
CCOc1ccc(NC(=S)SCC(=O)[O-])cc1	ZINC000006870395	260024108	/nfs/dbraw/zinc/02/41/08/260024108.db2.gz	NNXMCIXLKKTFSY-UHFFFAOYSA-N	-1	2	271.363	2.600	40	0		CFABLM
Cc1[nH+]c(C)c(C(=O)[O-])c(-c2ccccc2)c1C(=O)[O-]	ZINC000001556294	302571825	/nfs/dbraw/zinc/57/18/25/302571825.db2.gz	SWCAUWOTAMMLMS-UHFFFAOYSA-N	-1	2	271.272	2.762	40	0		CFABLM
CC(C)(C)c1ccc([C@@H](CC(=O)O)C(=O)[O-])cc1	ZINC000041305553	393545827	/nfs/dbraw/zinc/54/58/27/393545827.db2.gz	JZHIQBGRSFYULH-LLVKDONJSA-N	-1	2	250.294	2.627	40	0		CFABLM