smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1n[nH]c(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1[N+](=O)[O-]	ZINC000116206486	1072056767	/nfs/dbraw/zinc/05/67/67/1072056767.db2.gz	PPUREJTUXZRQEB-UHFFFAOYSA-N	0	1	401.449	-1.124	20	5		HABDMN
CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1	ZINC000486019550	1071350517	/nfs/dbraw/zinc/35/05/17/1071350517.db2.gz	VYUHSRGMKGSORU-HNNXBMFYSA-N	0	1	401.445	-1.139	20	5		HABDMN
CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1	ZINC000486019551	1071350343	/nfs/dbraw/zinc/35/03/43/1071350343.db2.gz	VYUHSRGMKGSORU-OAHLLOKOSA-N	0	1	401.445	-1.139	20	5		HABDMN
COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)CN)CC2)cc1[N+](=O)[O-]	ZINC000558164680	1071960696	/nfs/dbraw/zinc/96/06/96/1071960696.db2.gz	ZSJVVTMELXCZLA-UHFFFAOYSA-N	0	1	415.428	-1.489	20	5		HABDMN
COc1nc(-n2cncc2C[C@H](N)C(=O)N2CCC[C@H]2C(N)=O)ncc1[N+](=O)[O-]	ZINC001162842178	1072235501	/nfs/dbraw/zinc/23/55/01/1072235501.db2.gz	CNIHVMBZPFUOAI-QWRGUYRKSA-N	0	1	404.387	-1.075	20	5		HABDMN
Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001168976188	1071677378	/nfs/dbraw/zinc/67/73/78/1071677378.db2.gz	ZDWXTKSXQOSQDH-BVFGHLIRSA-N	0	1	409.403	-1.629	20	5		HABDMN
Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001168976189	1071677313	/nfs/dbraw/zinc/67/73/13/1071677313.db2.gz	ZDWXTKSXQOSQDH-FPXRDHCTSA-N	0	1	409.403	-1.629	20	5		HABDMN
Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001168976190	1071677388	/nfs/dbraw/zinc/67/73/88/1071677388.db2.gz	ZDWXTKSXQOSQDH-NEPWDEGZSA-N	0	1	409.403	-1.629	20	5		HABDMN
Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001168976191	1071677331	/nfs/dbraw/zinc/67/73/31/1071677331.db2.gz	ZDWXTKSXQOSQDH-XVQPFUJLSA-N	0	1	409.403	-1.629	20	5		HABDMN
NCC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1	ZINC001248546497	1072300857	/nfs/dbraw/zinc/30/08/57/1072300857.db2.gz	CSFWNVBDNHJXJN-UHFFFAOYSA-N	0	1	410.322	-2.014	20	5		HABDMN