smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CC(=O)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2[O-])CC1	ZINC000436748973	1068927722	/nfs/dbraw/zinc/92/77/22/1068927722.db2.gz	WYFNLWSFHPRGEV-UHFFFAOYSA-N	-2	3	491.526	0.947	20	5		JCBDHL
Cn1[n-]c(Br)c2c(=NCC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)ncnc1-2	ZINC000729491835	1069457692	/nfs/dbraw/zinc/45/76/92/1069457692.db2.gz	TVNTZNSWBRORGX-UHFFFAOYSA-N	-2	3	474.272	0.937	20	5		JCBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@@H]2O)c1	ZINC001199815012	1069856710	/nfs/dbraw/zinc/85/67/10/1069856710.db2.gz	RXHQTMZYWLBJEX-QOFRNUMZSA-N	-2	3	466.303	0.958	20	5		JCBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)c1	ZINC001199815032	1069856969	/nfs/dbraw/zinc/85/69/69/1069856969.db2.gz	RXHQTMZYWLBJEX-QZDOHJIMSA-N	-2	3	466.303	0.958	20	5		JCBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@H]2O)c1	ZINC001199815038	1069856851	/nfs/dbraw/zinc/85/68/51/1069856851.db2.gz	RXHQTMZYWLBJEX-XNIJJKJLSA-N	-2	3	466.303	0.958	20	5		JCBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3c2ncn3[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c1	ZINC001199815105	1069857856	/nfs/dbraw/zinc/85/78/56/1069857856.db2.gz	UXDRVANAJPSQMS-YNEHKIRRSA-N	-3	3	468.319	0.941	20	5		JCBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H]3O[P@](=O)([O-])O[C@H]23)c1	ZINC001199828817	1069857605	/nfs/dbraw/zinc/85/76/05/1069857605.db2.gz	UKRRMIOJRKCCTI-QOFRNUMZSA-N	-2	3	466.303	0.958	20	5		JCBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H]3O[P@](=O)([O-])O[C@@H]23)c1	ZINC001199828818	1069857916	/nfs/dbraw/zinc/85/79/16/1069857916.db2.gz	UKRRMIOJRKCCTI-QZDOHJIMSA-N	-2	3	466.303	0.958	20	5		JCBDHL