smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1	ZINC000514392523	1059385451	/nfs/dbraw/zinc/38/54/51/1059385451.db2.gz	YIOZUKXIPIOGCC-UHFFFAOYSA-N	-1	1	554.647	2.679	20	5		KFBDMM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000514394257	1059386341	/nfs/dbraw/zinc/38/63/41/1059386341.db2.gz	LECFSSFJTRULJX-CALCHBBNSA-N	-1	1	506.581	2.633	20	5		KFBDMM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000514394258	1059386426	/nfs/dbraw/zinc/38/64/26/1059386426.db2.gz	LECFSSFJTRULJX-IAGOWNOFSA-N	-1	1	506.581	2.633	20	5		KFBDMM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000514394259	1059386493	/nfs/dbraw/zinc/38/64/93/1059386493.db2.gz	LECFSSFJTRULJX-IRXDYDNUSA-N	-1	1	506.581	2.633	20	5		KFBDMM
CCS(=O)(=O)N1CCC(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1	ZINC000514401573	1059366853	/nfs/dbraw/zinc/36/68/53/1059366853.db2.gz	ZNWZIUPUWWTZNJ-UHFFFAOYSA-N	-1	1	510.594	2.704	20	5		KFBDMM