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](Nc1ccc(N)cc1)C(C)C	42586668	572036043	/nfs/dbraw/zinc/03/60/43/572036043.db2.gz	AKBVPWYNHCCHIL-LBPRGKRZSA-N	1	0	192.306	3.115	10	10		AGCERO
CC1(Nc2ccc(N)cc2)CCCC1	42176416	572007189	/nfs/dbraw/zinc/00/71/89/572007189.db2.gz	IWJOXDGQJFSGFJ-UHFFFAOYSA-N	1	0	190.290	3.013	10	10		AGCERO
CC[C@@H](Nc1ccc(N)cc1)C(C)C	42586671	572035538	/nfs/dbraw/zinc/03/55/38/572035538.db2.gz	AKBVPWYNHCCHIL-GFCCVEGCSA-N	1	0	192.306	3.115	10	10		AGCERO
CCCC[C@H](C)Nc1ccc(N)cc1	50887048	573138325	/nfs/dbraw/zinc/13/83/25/573138325.db2.gz	RYXUVLBMKWSSPA-JTQLQIEISA-N	1	0	192.306	3.259	10	10		AGCERO
CCCC[C@@H](C)Nc1ccc(N)cc1	50887047	573142062	/nfs/dbraw/zinc/14/20/62/573142062.db2.gz	RYXUVLBMKWSSPA-SNVBAGLBSA-N	1	0	192.306	3.259	10	10		AGCERO