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(F)c1)c1cc(Br)ccc1[O-]	ZINC000019920821	182164303	/nfs/dbraw/zinc/16/43/03/182164303.db2.gz	DGIXYFALOYEFBP-AWEZNQCLSA-N	-1	3	324.193	4.857	10	10		DJCEHM
CC[C@@H](Nc1cccc(F)c1)c1cc(Br)ccc1[O-]	ZINC000019920818	182164407	/nfs/dbraw/zinc/16/44/07/182164407.db2.gz	DGIXYFALOYEFBP-CQSZACIVSA-N	-1	3	324.193	4.857	10	10		DJCEHM
CC[C@H](Nc1ccccc1)c1cc(Br)ccc1[O-]	ZINC000019879442	182160147	/nfs/dbraw/zinc/16/01/47/182160147.db2.gz	RIYCHLXGHMVCGU-AWEZNQCLSA-N	-1	3	306.203	4.718	10	10		DJCEHM
CC(C)c1ccc([O-])c([C@@H]2CC(c3ccc(Cl)cc3)=NN2)c1	ZINC000020390347	182213704	/nfs/dbraw/zinc/21/37/04/182213704.db2.gz	BCDPZSHJUCVCQX-KRWDZBQOSA-N	-1	3	314.816	4.608	10	10		DJCEHM
CC[C@@H](Nc1ccccc1)c1cc(Br)ccc1[O-]	ZINC000019879441	182160144	/nfs/dbraw/zinc/16/01/44/182160144.db2.gz	RIYCHLXGHMVCGU-CQSZACIVSA-N	-1	3	306.203	4.718	10	10		DJCEHM
CC[C@@H](Nc1ccc(F)cc1)c1cc(Br)ccc1[O-]	ZINC000019942283	182168863	/nfs/dbraw/zinc/16/88/63/182168863.db2.gz	CZDYLCAFPPGFLY-CQSZACIVSA-N	-1	3	324.193	4.857	10	10		DJCEHM
CC(C)c1cc2c(c(O)c1[O-])[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O	ZINC000003992526	181060804	/nfs/dbraw/zinc/06/08/04/181060804.db2.gz	GDLRDIDXYBIPFY-YWZLYKJASA-N	-1	3	316.441	4.892	10	10	biogenic	DJCEHM
CC(C)c1ccc([O-])c([C@H]2CC(c3ccc(Cl)cc3)=NN2)c1	ZINC000020390352	182213438	/nfs/dbraw/zinc/21/34/38/182213438.db2.gz	BCDPZSHJUCVCQX-QGZVFWFLSA-N	-1	3	314.816	4.608	10	10		DJCEHM
CC[C@H](Nc1ccc(F)cc1)c1cc(Br)ccc1[O-]	ZINC000019942286	182168798	/nfs/dbraw/zinc/16/87/98/182168798.db2.gz	CZDYLCAFPPGFLY-AWEZNQCLSA-N	-1	3	324.193	4.857	10	10		DJCEHM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1	ZINC000017054991	182072851	/nfs/dbraw/zinc/07/28/51/182072851.db2.gz	FAOCRSMOURLTOZ-XDJHFCHBSA-N	-1	3	319.408	4.575	10	10		DJCEHM
CC[C@H](Nc1ccccc1F)c1cc(Br)ccc1[O-]	ZINC000019944538	182168961	/nfs/dbraw/zinc/16/89/61/182168961.db2.gz	ZWTNDUCCQRJTIN-ZDUSSCGKSA-N	-1	3	324.193	4.857	10	10		DJCEHM
[O-]c1ccc2ccccc2c1CNc1ccc(F)c(Cl)c1	ZINC000020429911	182216668	/nfs/dbraw/zinc/21/66/68/182216668.db2.gz	MXOQKBOFXDUZIV-UHFFFAOYSA-N	-1	3	301.748	4.950	10	10		DJCEHM
CC[C@@H](Nc1ccccc1F)c1cc(Br)ccc1[O-]	ZINC000019944535	182168943	/nfs/dbraw/zinc/16/89/43/182168943.db2.gz	ZWTNDUCCQRJTIN-CYBMUJFWSA-N	-1	3	324.193	4.857	10	10		DJCEHM