smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)C[C@@H](O)[C@@H](N)C(=O)[O-]	13543661	571746663	/nfs/dbraw/zinc/74/66/63/571746663.db2.gz	RKNHTGDLNNBLGZ-PHDIDXHHSA-O	0	3	177.224	-1.535	40	5		AABBHN
C[N+](C)(C)C[C@@H](O)[C@H](N)C(=O)[O-]	13543664	571754181	/nfs/dbraw/zinc/75/41/81/571754181.db2.gz	RKNHTGDLNNBLGZ-RITPCOANSA-O	0	3	177.224	-1.535	40	5		AABBHN
NC(N)C[N+](=O)[O-]	140902902	169168514	/nfs/dbraw/zinc/16/85/14/169168514.db2.gz	JDXRSPWAJJOTGZ-UHFFFAOYSA-N	0	3	105.097	-1.493	40	5		AABBHN
N[C@@H]1NC(=O)C=CC1[N+](=O)[O-]	3852556	169260271	/nfs/dbraw/zinc/26/02/71/169260271.db2.gz	WSIAMMRBYIRACX-WVZVXSGGSA-N	0	3	157.129	-1.398	40	5		AABBHN
N[C@@H]1NC(=O)C=CC1[N+](=O)[O-]	3852554	169260285	/nfs/dbraw/zinc/26/02/85/169260285.db2.gz	WSIAMMRBYIRACX-NQXXGFSBSA-N	0	3	157.129	-1.398	40	5		AABBHN
N[C@H]1NC(=O)C=CC1[N+](=O)[O-]	3852552	169279456	/nfs/dbraw/zinc/27/94/56/169279456.db2.gz	WSIAMMRBYIRACX-WUJLRWPWSA-N	0	3	157.129	-1.398	40	5		AABBHN
N[C@H]1NC(=O)C=CC1[N+](=O)[O-]	3852555	169280074	/nfs/dbraw/zinc/28/00/74/169280074.db2.gz	WSIAMMRBYIRACX-UCORVYFPSA-N	0	3	157.129	-1.398	40	5		AABBHN
C[N+](C)(C)C[C@H](O)[C@@H](N)C(=O)[O-]	2569524	342977633	/nfs/dbraw/zinc/97/76/33/342977633.db2.gz	RKNHTGDLNNBLGZ-NTSWFWBYSA-O	0	3	177.224	-1.535	40	5		AABBHN