smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](Nc1nc(N[C@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000004106683	568943408	/nfs/dbraw/zinc/94/34/08/568943408.db2.gz	HQDRVMYJPUDNJF-CJNGLKHVSA-N	-2	0	418.406	2.324	50	5		HEBARL
CC(C)[C@@H](Nc1nc(N[C@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000004106684	568943509	/nfs/dbraw/zinc/94/35/09/568943509.db2.gz	HQDRVMYJPUDNJF-CZUORRHYSA-N	-2	0	418.406	2.324	50	5		HEBARL
Cc1ccc(CS(=O)(=O)C[C@@H](Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000020805515	568643999	/nfs/dbraw/zinc/64/39/99/568643999.db2.gz	SITAIIVAROKUCL-OAHLLOKOSA-N	-2	0	422.415	2.082	50	5		HEBARL
CC(C)[C@H](Nc1nc(N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000004106680	568943383	/nfs/dbraw/zinc/94/33/83/568943383.db2.gz	HQDRVMYJPUDNJF-BBRMVZONSA-N	-2	0	418.406	2.324	50	5		HEBARL
Cc1ccccc1CS(=O)(=O)C[C@H](Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000020805586	568643934	/nfs/dbraw/zinc/64/39/34/568643934.db2.gz	ZMQYNBJJCLJTEX-HNNXBMFYSA-N	-2	0	422.415	2.082	50	5		HEBARL
O=C([O-])c1cc(NC(=O)COc2nc(-c3ccccc3)cc(=O)[n-]2)cc([N+](=O)[O-])c1	ZINC000014943905	568456705	/nfs/dbraw/zinc/45/67/05/568456705.db2.gz	XQADIMWKRKKESV-UHFFFAOYSA-N	-2	0	410.342	2.061	50	5		HEBARL
O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000003129716	568857193	/nfs/dbraw/zinc/85/71/93/568857193.db2.gz	GGGNPWOMFMUJSO-UHFFFAOYSA-N	-2	0	400.752	2.445	50	5		HEBARL
Cc1ccccc1CS(=O)(=O)C[C@@H](Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000020805582	568644010	/nfs/dbraw/zinc/64/40/10/568644010.db2.gz	ZMQYNBJJCLJTEX-OAHLLOKOSA-N	-2	0	422.415	2.082	50	5		HEBARL
CC(C)[C@@H](Nc1nc(N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000004106681	568943373	/nfs/dbraw/zinc/94/33/73/568943373.db2.gz	HQDRVMYJPUDNJF-XJKSGUPXSA-N	-2	0	418.406	2.324	50	5		HEBARL
Cc1ccc(CS(=O)(=O)C[C@H](Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000020805519	568644091	/nfs/dbraw/zinc/64/40/91/568644091.db2.gz	SITAIIVAROKUCL-HNNXBMFYSA-N	-2	0	422.415	2.082	50	5		HEBARL