smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(O)c([C@H](C)Nc2ccc(Br)c(C)c2)c1	ZINC000019908137	212082865	/nfs/dbraw/zinc/08/28/65/212082865.db2.gz	QVZYFVNLEXRGBH-NSHDSACASA-N	0	0	336.229	4.645	20	10		EJCDRN
CC[C@H](Nc1ccccc1OC)c1cc(Br)ccc1O	ZINC000019901961	212080435	/nfs/dbraw/zinc/08/04/35/212080435.db2.gz	JGVDYNXZLFLUIU-ZDUSSCGKSA-N	0	0	336.229	4.727	20	10		EJCDRN
CC[C@@H](Nc1ccccc1OC)c1cc(Br)ccc1O	ZINC000019901960	212080831	/nfs/dbraw/zinc/08/08/31/212080831.db2.gz	JGVDYNXZLFLUIU-CYBMUJFWSA-N	0	0	336.229	4.727	20	10		EJCDRN
CC[C@H](Nc1cccc(OC)c1)c1cc(Br)ccc1O	ZINC000019964111	212090261	/nfs/dbraw/zinc/09/02/61/212090261.db2.gz	AWHBQYSITKGLIT-HNNXBMFYSA-N	0	0	336.229	4.727	20	10		EJCDRN
Cc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000001197303	201499647	/nfs/dbraw/zinc/49/96/47/201499647.db2.gz	GEDMLAVIGIUALB-XNTDXEJSSA-N	0	0	329.421	4.540	20	10		EJCDRN
O=C1/C(=C\c2cccs2)SC(=S)N1c1ccccc1Cl	ZINC000006102593	564074113	/nfs/dbraw/zinc/07/41/13/564074113.db2.gz	UXDWZTAUJOMMRA-XYOKQWHBSA-N	0	0	337.878	4.807	20	10		EJCDRN
CC[C@@H](Nc1cccc(OC)c1)c1cc(Br)ccc1O	ZINC000019964110	212090660	/nfs/dbraw/zinc/09/06/60/212090660.db2.gz	AWHBQYSITKGLIT-OAHLLOKOSA-N	0	0	336.229	4.727	20	10		EJCDRN
CC[C@@H](Nc1ccc(OC)cc1)c1cc(Br)ccc1O	ZINC000019964808	212090692	/nfs/dbraw/zinc/09/06/92/212090692.db2.gz	RKDQBVQSEASSOT-OAHLLOKOSA-N	0	0	336.229	4.727	20	10		EJCDRN
COc1ccc(O)c([C@H](C)Nc2ccc(Br)cc2C)c1	ZINC000019905630	212081454	/nfs/dbraw/zinc/08/14/54/212081454.db2.gz	LLIZQYFOBNEVLS-NSHDSACASA-N	0	0	336.229	4.645	20	10		EJCDRN
CC[C@H](Nc1ccc(OC)cc1)c1cc(Br)ccc1O	ZINC000019964809	212090524	/nfs/dbraw/zinc/09/05/24/212090524.db2.gz	RKDQBVQSEASSOT-HNNXBMFYSA-N	0	0	336.229	4.727	20	10		EJCDRN
COc1ccc(O)c([C@@H](C)Nc2ccc(Br)c(C)c2)c1	ZINC000019908136	212082759	/nfs/dbraw/zinc/08/27/59/212082759.db2.gz	QVZYFVNLEXRGBH-LLVKDONJSA-N	0	0	336.229	4.645	20	10		EJCDRN
Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	ZINC000020327207	202037997	/nfs/dbraw/zinc/03/79/97/202037997.db2.gz	PSLVAYFFXJTORX-UHFFFAOYSA-N	0	0	348.246	4.559	20	10		EJCDRN
COc1ccc(O)c([C@@H](C)Nc2ccc(Br)cc2C)c1	ZINC000019905629	212082119	/nfs/dbraw/zinc/08/21/19/212082119.db2.gz	LLIZQYFOBNEVLS-LLVKDONJSA-N	0	0	336.229	4.645	20	10		EJCDRN