smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccccc1C=Nc1ccccc1	245240589	526370527	/nfs/dbraw/zinc/37/05/27/526370527.db2.gz	QIYHCQVVYSSDTI-UHFFFAOYSA-N	-1	3	197.237	3.143	50	30		AGEAHM
C/C(=N\[O-])c1cccc2ccccc12	100070384	166053401	/nfs/dbraw/zinc/05/34/01/166053401.db2.gz	KHNGQTJKEPANSZ-UKTHLTGXSA-N	-1	3	185.226	3.038	50	30		AGEAHM
C/C(=N/[O-])c1cccc2ccccc12	17163516	166054963	/nfs/dbraw/zinc/05/49/63/166054963.db2.gz	KHNGQTJKEPANSZ-LCYFTJDESA-N	-1	3	185.226	3.038	50	30		AGEAHM
[O-]/N=C/c1ccc(-c2ccccc2)cc1	100315247	169314380	/nfs/dbraw/zinc/31/43/80/169314380.db2.gz	OUNAWNXTMKAPFT-GXDHUFHOSA-N	-1	3	197.237	3.162	50	30		AGEAHM
[O-]/N=C(/c1ccccc1)C1CCCC1	33845476	171052520	/nfs/dbraw/zinc/05/25/20/171052520.db2.gz	WHVAYSLXAGZARZ-SEYXRHQNSA-N	-1	3	189.258	3.055	50	30		AGEAHM
CCCC/N=C(/C)c1ccccc1[O-]	4552230	342992881	/nfs/dbraw/zinc/99/28/81/342992881.db2.gz	OXHZFLTWVLNLTM-RAXLEYEMSA-N	-1	3	191.274	3.001	50	30		AGEAHM
[O-]c1ccccc1/C=N/c1ccccc1	6227433	351351258	/nfs/dbraw/zinc/35/12/58/351351258.db2.gz	QIYHCQVVYSSDTI-GXDHUFHOSA-N	-1	3	197.237	3.143	50	30	in-vitro	AGEAHM
[O-]c1ccccc1/N=C/c1ccccc1	17994458	351384062	/nfs/dbraw/zinc/38/40/62/351384062.db2.gz	GRWIZXASAOKOEZ-GXDHUFHOSA-N	-1	3	197.237	3.143	50	30		AGEAHM
[O-]c1ccc(/N=C/c2ccccc2)cc1	17723719	351384273	/nfs/dbraw/zinc/38/42/73/351384273.db2.gz	BVTLIIQDQAUXOI-GXDHUFHOSA-N	-1	3	197.237	3.143	50	30	in-vitro	AGEAHM
[O-]c1ccc(/C=N/c2ccccc2)cc1	18212093	351385353	/nfs/dbraw/zinc/38/53/53/351385353.db2.gz	KAFOXNBOSQXQDL-GXDHUFHOSA-N	-1	3	197.237	3.143	50	30		AGEAHM