smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004430696	558560002	/nfs/dbraw/zinc/56/00/02/558560002.db2.gz	WJPLSTABBCGIQS-FMRNTLLBSA-N	0	0	424.399	-1.187	40	5		HABBRN
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004430697	558559946	/nfs/dbraw/zinc/55/99/46/558559946.db2.gz	WJPLSTABBCGIQS-VBKWPLKRSA-N	0	0	424.399	-1.187	40	5		HABBRN
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000004430698	558559963	/nfs/dbraw/zinc/55/99/63/558559963.db2.gz	WJPLSTABBCGIQS-QNQPIPONSA-N	0	0	424.399	-1.187	40	5		HABBRN
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000004430699	558559921	/nfs/dbraw/zinc/55/99/21/558559921.db2.gz	WJPLSTABBCGIQS-HIFLKKFUSA-N	0	0	424.399	-1.187	40	5		HABBRN
NC(=O)C(Cn1c2ccc([N+](=O)[O-])cc2nc1SC(C(N)=O)C(N)=O)C(N)=O	ZINC000019141890	569414310	/nfs/dbraw/zinc/41/43/10/569414310.db2.gz	XDHOYJZPESJUHU-UHFFFAOYSA-N	0	0	409.384	-2.037	40	5		HABBRN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000019330117	569419817	/nfs/dbraw/zinc/41/98/17/569419817.db2.gz	FQZUBSBSVVDWLO-KWRLTHHHSA-N	0	0	406.392	-3.550	40	5		HABBRN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000019330120	569419830	/nfs/dbraw/zinc/41/98/30/569419830.db2.gz	FQZUBSBSVVDWLO-VQNBZPTLSA-N	0	0	406.392	-3.550	40	5		HABBRN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000019330123	569419901	/nfs/dbraw/zinc/41/99/01/569419901.db2.gz	FQZUBSBSVVDWLO-VOUJRGJMSA-N	0	0	406.392	-3.550	40	5		HABBRN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	ZINC000019332133	569419909	/nfs/dbraw/zinc/41/99/09/569419909.db2.gz	FQZUBSBSVVDWLO-PLKKEYROSA-N	0	0	406.392	-3.550	40	5		HABBRN
Cn1nc([N+](=O)[O-])nc1N(CCN(c1nc([N+](=O)[O-])nn1C)[N+](=O)[O-])[N+](=O)[O-]	ZINC000097965966	1072789993	/nfs/dbraw/zinc/78/99/93/1072789993.db2.gz	MAOLELKBUCWWLA-UHFFFAOYSA-N	0	0	402.244	-1.544	40	5		HABBRN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	ZINC000217807282	568913439	/nfs/dbraw/zinc/91/34/39/568913439.db2.gz	FQZUBSBSVVDWLO-KHCCBYDRSA-N	0	0	406.392	-3.550	40	5		HABBRN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	ZINC000217807360	568913497	/nfs/dbraw/zinc/91/34/97/568913497.db2.gz	FQZUBSBSVVDWLO-WVPUPOHOSA-N	0	0	406.392	-3.550	40	5		HABBRN