smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c(-c2cccc([O-])c2)nc2c1cnn2-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000045298802	205093703	/nfs/dbraw/zinc/09/37/03/205093703.db2.gz	IBKNNNAJJNUDDW-UHFFFAOYSA-N	-1	3	394.303	2.710	1	5		GFBFHM
O=C([O-])c1cccc2c(=O)c3ccccc3n(C[C@@H](O)CN3CCCCC3)c12	ZINC000043024494	205082584	/nfs/dbraw/zinc/08/25/84/205082584.db2.gz	IZWZRYRZWLTQJM-HNNXBMFYSA-N	-1	3	380.444	2.700	1	5		GFBFHM
Cc1cccc(NC(=O)c2cn(CCO)c3c4cccnc4c([O-])cc3c2=O)c1	ZINC000103288357	205644930	/nfs/dbraw/zinc/64/49/30/205644930.db2.gz	UWCIOEUHSUJXAP-UHFFFAOYSA-N	-1	3	389.411	2.808	1	5		GFBFHM
O=C([O-])c1cccc2c(=O)c3ccccc3n(C[C@H](O)CN3CCCCC3)c12	ZINC000043024491	205081859	/nfs/dbraw/zinc/08/18/59/205081859.db2.gz	IZWZRYRZWLTQJM-OAHLLOKOSA-N	-1	3	380.444	2.700	1	5		GFBFHM
O=c1c(C=C(c2nnn[n-]2)c2ccc([N+](=O)[O-])cc2)coc2ccc(F)cc12	ZINC000040975274	205076341	/nfs/dbraw/zinc/07/63/41/205076341.db2.gz	LVDYMZASPZHYMY-AUWJEWJLSA-N	-1	3	379.307	2.942	1	5		GFBFHM
O=c1c(C=C(c2nn[n-]n2)c2ccc([N+](=O)[O-])cc2)coc2ccc(F)cc12	ZINC000040975274	205076346	/nfs/dbraw/zinc/07/63/46/205076346.db2.gz	LVDYMZASPZHYMY-AUWJEWJLSA-N	-1	3	379.307	2.942	1	5		GFBFHM
O=C([O-])c1c2sc3ccccc3n2c2cc(N3CCNCC3)c(F)cc2c1=O	ZINC000100791909	136189304	/nfs/dbraw/zinc/18/93/04/136189304.db2.gz	OXFPVDONXMKJQB-UHFFFAOYSA-N	-1	3	397.431	2.914	1	5		GFBFHM