smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](Nc1cccc(C)c1)c1cc(Br)ccc1[O-]	ZINC000019877202	182160016	/nfs/dbraw/zinc/16/00/16/182160016.db2.gz	RXCAXHZYVJDOPN-OAHLLOKOSA-N	-1	3	320.230	5.026	10	10		DKCEHM
CC[C@H](Nc1cccc(C)c1)c1cc(Br)ccc1[O-]	ZINC000019877204	182159851	/nfs/dbraw/zinc/15/98/51/182159851.db2.gz	RXCAXHZYVJDOPN-HNNXBMFYSA-N	-1	3	320.230	5.026	10	10		DKCEHM
CC[C@@H](Nc1ccc(C)cc1)c1cc(Br)ccc1[O-]	ZINC000019964476	182171049	/nfs/dbraw/zinc/17/10/49/182171049.db2.gz	XXZKCRDIEWSMOM-OAHLLOKOSA-N	-1	3	320.230	5.026	10	10		DKCEHM
CC[C@H](Nc1ccc(C)cc1)c1cc(Br)ccc1[O-]	ZINC000019964477	182170780	/nfs/dbraw/zinc/17/07/80/182170780.db2.gz	XXZKCRDIEWSMOM-HNNXBMFYSA-N	-1	3	320.230	5.026	10	10		DKCEHM
CC[C@@H](Nc1ccccc1C)c1cc(Br)ccc1[O-]	ZINC000019965037	182170619	/nfs/dbraw/zinc/17/06/19/182170619.db2.gz	AXJPBFMWMJGRFG-CQSZACIVSA-N	-1	3	320.230	5.026	10	10		DKCEHM
CC[C@H](Nc1ccccc1C)c1cc(Br)ccc1[O-]	ZINC000019965038	182170822	/nfs/dbraw/zinc/17/08/22/182170822.db2.gz	AXJPBFMWMJGRFG-AWEZNQCLSA-N	-1	3	320.230	5.026	10	10		DKCEHM
[O-]c1ccc2ccccc2c1CNc1cc(Cl)cc(Cl)c1	ZINC000020023533	182179587	/nfs/dbraw/zinc/17/95/87/182179587.db2.gz	OFWIMFCCHIEEPC-UHFFFAOYSA-N	-1	3	318.203	5.464	10	10		DKCEHM
[O-]c1ccc2ccccc2c1CNc1ccc(Cl)c(Cl)c1	ZINC000021502502	182276109	/nfs/dbraw/zinc/27/61/09/182276109.db2.gz	GZWVOQYWKZZYNY-UHFFFAOYSA-N	-1	3	318.203	5.464	10	10		DKCEHM
C[C@H](Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1[O-]	ZINC000062744770	184251990	/nfs/dbraw/zinc/25/19/90/184251990.db2.gz	HHVGUVGGUFEZED-QMMMGPOBSA-N	-1	3	300.160	5.011	10	10		DKCEHM
C[C@@H](Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1[O-]	ZINC000062744771	184252053	/nfs/dbraw/zinc/25/20/53/184252053.db2.gz	HHVGUVGGUFEZED-MRVPVSSYSA-N	-1	3	300.160	5.011	10	10		DKCEHM