smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)c2ccc(-c3noc(-c4cc(O)c([O-])c([N+](=O)[O-])c4)n3)cc2)CC1	ZINC000049070778	563137801	/nfs/dbraw/zinc/13/78/01/563137801.db2.gz	DJBXWHUHOSUUBB-UHFFFAOYSA-N	0	2	425.401	2.111	1	10		IECFLN
CN(C)S(=O)(=O)c1c2c(c(O)c(O)c1O)C(=O)N(Cc1ccc(F)c(Cl)c1)C2	ZINC000095562273	563182579	/nfs/dbraw/zinc/18/25/79/563182579.db2.gz	ZDODFLVJNKPLLD-UHFFFAOYSA-N	0	2	430.841	2.002	1	10		IECFLN
CC(=O)N1CCC[C@H]1C(=O)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1	ZINC000043018194	563116990	/nfs/dbraw/zinc/11/69/90/563116990.db2.gz	ZXTZQBYIRDTCMF-ZDUSSCGKSA-N	0	2	441.392	2.199	1	10		IECFLN
O=[N+]([O-])c1cc(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)c([O-])c2ncccc12	ZINC000053226661	563141253	/nfs/dbraw/zinc/14/12/53/563141253.db2.gz	VWHLWKGSARCCMR-UHFFFAOYSA-N	0	2	428.470	2.355	1	10		IECFLN