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)(C)CCc1cc(=O)c(=O)[n-][nH]1	95589513	166351069	/nfs/dbraw/zinc/35/10/69/166351069.db2.gz	KBRQBXFPFHNKIU-UHFFFAOYSA-N	-1	3	196.250	1.454	1	0		ADAFHM
CC(C)(C)CCc1cc(=O)c(=O)[nH][n-]1	95589513	166351071	/nfs/dbraw/zinc/35/10/71/166351071.db2.gz	KBRQBXFPFHNKIU-UHFFFAOYSA-N	-1	3	196.250	1.454	1	0		ADAFHM
COCc1ccc([O-])c(NC(C)=O)c1	95595845	168194174	/nfs/dbraw/zinc/19/41/74/168194174.db2.gz	KYIFKTLQOTZUGR-UHFFFAOYSA-N	-1	3	195.218	1.497	1	0		ADAFHM
[O-]/N=c1/ccc2ccccc2o1	5045449	169315184	/nfs/dbraw/zinc/31/51/84/169315184.db2.gz	QIRWWZNGZWYHHM-KTKRTIGZSA-N	-1	3	161.160	1.723	1	0		ADAFHM
O=c1[n-]nc2ccccc2c1Cl	17210189	171031380	/nfs/dbraw/zinc/03/13/80/171031380.db2.gz	KPKPESZZAAYPCF-UHFFFAOYSA-N	-1	3	180.594	1.577	1	0		ADAFHM
O=c1c2ccccc2oc2n[n-]nc12	100836335	171145532	/nfs/dbraw/zinc/14/55/32/171145532.db2.gz	MMCXTWUIWNEVED-UHFFFAOYSA-N	-1	3	187.158	1.428	1	0		ADAFHM