smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCC(CCC(=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000019227710	351348820	/nfs/dbraw/zinc/34/88/20/351348820.db2.gz	WVXNFQGAMQFCSX-UHFFFAOYSA-N	-2	0	250.163	-0.034	50	5		CBBARL
CC1([N+](=O)[O-])CN(CCC(=O)[O-])CN(CCC(=O)[O-])C1	ZINC000019321779	372757968	/nfs/dbraw/zinc/75/79/68/372757968.db2.gz	AIRYKEFKMDRQJJ-UHFFFAOYSA-N	-2	0	289.288	-0.454	50	5		CBBARL
Cc1nc2[n-]c(CC(=O)[O-])nn2c(=O)c1[N+](=O)[O-]	ZINC000009761105	170385330	/nfs/dbraw/zinc/38/53/30/170385330.db2.gz	PWVQERPDDUZJQI-UHFFFAOYSA-N	-2	0	253.174	-0.326	50	5		CBBARL
Cc1nc2[n-]c(CC(=O)[O-])nn2c(=O)c1[N+](=O)[O-]	ZINC000100018514	185701682	/nfs/dbraw/zinc/70/16/82/185701682.db2.gz	ZBJRYOMMZULGFZ-UHFFFAOYSA-N	-2	0	253.174	-0.739	50	5		CBBARL
O=[N+]([O-])c1nonc1[N-]C[N-]c1nonc1[N+](=O)[O-]	ZINC000003898321	351315107	/nfs/dbraw/zinc/31/51/07/351315107.db2.gz	ZDTGCIXCIBMFJX-UHFFFAOYSA-N	-2	0	272.137	-0.250	50	5		CBBARL
CCCC1([N+](=O)[O-])CN(CC(=O)[O-])CN(CC(=O)[O-])C1	ZINC000226757051	352254136	/nfs/dbraw/zinc/25/41/36/352254136.db2.gz	DRQQZCWVWCLJJX-UHFFFAOYSA-N	-2	0	289.288	-0.454	50	5		CBBARL
O=[N+]([O-])c1cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c1O	ZINC000001655641	351305210	/nfs/dbraw/zinc/30/52/10/351305210.db2.gz	XDBZXAFUWZROOS-UHFFFAOYSA-N	-2	0	299.238	-0.206	50	5		CBBARL