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)CCc1c[nH]c2cccc(O[P@@](=O)([O-])O)c12	ZINC000014448386	717110232	/nfs/dbraw/zinc/11/02/32/717110232.db2.gz	OIIPFLWAQQNCHA-UHFFFAOYSA-O	0	2	299.287	1.888	1	5		CDBFLN
C[N+](C)(C)CCc1c[nH]c2cccc(O[P@](=O)([O-])O)c12	ZINC000014448386	717110234	/nfs/dbraw/zinc/11/02/34/717110234.db2.gz	OIIPFLWAQQNCHA-UHFFFAOYSA-O	0	2	299.287	1.888	1	5		CDBFLN
Cc1cc2c(cc1F)[n+]([O-])c1ccc(O)cc1[n+]2[O-]	ZINC000102413850	185777499	/nfs/dbraw/zinc/77/74/99/185777499.db2.gz	VQSPSEXAYZLBNK-UHFFFAOYSA-N	0	2	260.224	1.413	1	5		CDBFLN
[O-][n+]1c2ccc(Cl)cc2[n+]([O-])c2ccc(O)cc21	ZINC000005700969	170130985	/nfs/dbraw/zinc/13/09/85/170130985.db2.gz	FVEZRGZDRSAZHG-UHFFFAOYSA-N	0	2	262.652	1.619	1	5		CDBFLN
NC(=O)c1[nH]nnc1Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000039155078	174164907	/nfs/dbraw/zinc/16/49/07/174164907.db2.gz	GKUQTHCPAQYZRC-UHFFFAOYSA-N	0	2	282.647	1.209	1	5		CDBFLN
O=c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c(=S)[nH]1	ZINC000072123359	176320258	/nfs/dbraw/zinc/32/02/58/176320258.db2.gz	QQQORQMQUJFLBG-UHFFFAOYSA-N	0	2	250.239	1.029	1	5		CDBFLN