smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])[C@H](O)[C@@H](O)[N+](=O)[O-]	687806156	571862760	/nfs/dbraw/zinc/86/27/60/571862760.db2.gz	IBAOFEAFGBKGQX-JCYAYHJZSA-N	0	2	152.062	-1.823	10	5		AABELN
O=[N+]([O-])C(O)[C@@H](O)[N+](=O)[O-]	687806156	571862764	/nfs/dbraw/zinc/86/27/64/571862764.db2.gz	IBAOFEAFGBKGQX-JCYAYHJZSA-N	0	2	152.062	-1.823	10	5		AABELN
O=[N+]([O-])[C@@H](O)[C@@H](O)[N+](=O)[O-]	687806158	571862931	/nfs/dbraw/zinc/86/29/31/571862931.db2.gz	IBAOFEAFGBKGQX-XIXRPRMCSA-N	0	2	152.062	-1.823	10	5		AABELN
O=[N+]([O-])C(O)[C@@H](O)[N+](=O)[O-]	687806158	571862933	/nfs/dbraw/zinc/86/29/33/571862933.db2.gz	IBAOFEAFGBKGQX-XIXRPRMCSA-N	0	2	152.062	-1.823	10	5		AABELN
O=[N+]([O-])C(O)[C@H](O)[N+](=O)[O-]	687806158	571862934	/nfs/dbraw/zinc/86/29/34/571862934.db2.gz	IBAOFEAFGBKGQX-XIXRPRMCSA-N	0	2	152.062	-1.823	10	5		AABELN
O=[N+]([O-])[C@@H](O)[C@H](O)[N+](=O)[O-]	687806157	571864027	/nfs/dbraw/zinc/86/40/27/571864027.db2.gz	IBAOFEAFGBKGQX-LWMBPPNESA-N	0	2	152.062	-1.823	10	5		AABELN
O=[N+]([O-])C(O)[C@H](O)[N+](=O)[O-]	687806157	571864031	/nfs/dbraw/zinc/86/40/31/571864031.db2.gz	IBAOFEAFGBKGQX-LWMBPPNESA-N	0	2	152.062	-1.823	10	5		AABELN
NC(=O)c1nonc1C[N+](=O)[O-]	687728443	571906526	/nfs/dbraw/zinc/90/65/26/571906526.db2.gz	JNTBCRPBHHIQJB-UHFFFAOYSA-N	0	2	172.100	-1.055	10	5		AABELN
CS(=O)(=O)[C@H](CO)[N+](=O)[O-]	687757310	571953254	/nfs/dbraw/zinc/95/32/54/571953254.db2.gz	SUVUBIIABUFXHS-GSVOUGTGSA-N	0	2	169.158	-1.374	10	5		AABELN
CS(=O)(=O)[C@@H](CO)[N+](=O)[O-]	687757311	571953371	/nfs/dbraw/zinc/95/33/71/571953371.db2.gz	SUVUBIIABUFXHS-VKHMYHEASA-N	0	2	169.158	-1.374	10	5		AABELN
O=C1C[C@@H]([N+](=O)[O-])[C@@H]([C@H](O)CO)O1	687757644	571954155	/nfs/dbraw/zinc/95/41/55/571954155.db2.gz	MFGRQTXZJPIMAJ-KODRXGBYSA-N	0	2	191.139	-1.700	10	5		AABELN
O=C1C[C@@H]([N+](=O)[O-])[C@H]([C@H](O)CO)O1	687757647	571954724	/nfs/dbraw/zinc/95/47/24/571954724.db2.gz	MFGRQTXZJPIMAJ-ZMIZWQJLSA-N	0	2	191.139	-1.700	10	5		AABELN
O=C1C[C@H]([N+](=O)[O-])[C@@H]([C@H](O)CO)O1	687757646	571954973	/nfs/dbraw/zinc/95/49/73/571954973.db2.gz	MFGRQTXZJPIMAJ-RPDRRWSUSA-N	0	2	191.139	-1.700	10	5		AABELN
O=C1C[C@H]([N+](=O)[O-])[C@H]([C@H](O)CO)O1	687757645	571955421	/nfs/dbraw/zinc/95/54/21/571955421.db2.gz	MFGRQTXZJPIMAJ-MRKVFDINSA-N	0	2	191.139	-1.700	10	5		AABELN
CO[C@@H]1O[C@H](CO)C([N+](=O)[O-])[C@H]1O	687757804	571955818	/nfs/dbraw/zinc/95/58/18/571955818.db2.gz	RXSQNRRSXAOKMR-JGWLITMVSA-N	0	2	193.155	-1.644	10	5		AABELN
CO[C@@H]1O[C@H](CO)[C@H]([N+](=O)[O-])[C@H]1O	687757804	571955821	/nfs/dbraw/zinc/95/58/21/571955821.db2.gz	RXSQNRRSXAOKMR-JGWLITMVSA-N	0	2	193.155	-1.644	10	5		AABELN
O=C1C[C@H]([N+](=O)[O-])[C@@H]([C@@H](O)CO)O1	687762787	571966520	/nfs/dbraw/zinc/96/65/20/571966520.db2.gz	MFGRQTXZJPIMAJ-FKZODXBYSA-N	0	2	191.139	-1.700	10	5		AABELN
O=C1C[C@H]([N+](=O)[O-])[C@H]([C@@H](O)CO)O1	687762788	571967444	/nfs/dbraw/zinc/96/74/44/571967444.db2.gz	MFGRQTXZJPIMAJ-RVJQKOHUSA-N	0	2	191.139	-1.700	10	5		AABELN
CO[C@@H]1O[C@H](CO)C([N+](=O)[O-])[C@@H]1O	687762922	571968771	/nfs/dbraw/zinc/96/87/71/571968771.db2.gz	RXSQNRRSXAOKMR-DPYQTVNSSA-N	0	2	193.155	-1.644	10	5		AABELN
CO[C@@H]1O[C@H](CO)[C@H]([N+](=O)[O-])[C@@H]1O	687762922	571968773	/nfs/dbraw/zinc/96/87/73/571968773.db2.gz	RXSQNRRSXAOKMR-DPYQTVNSSA-N	0	2	193.155	-1.644	10	5		AABELN
CO[C@@H]1O[C@H](CO)C([N+](=O)[O-])[C@@H]1O	687762921	571969257	/nfs/dbraw/zinc/96/92/57/571969257.db2.gz	RXSQNRRSXAOKMR-ARQDHWQXSA-N	0	2	193.155	-1.644	10	5		AABELN
CO[C@@H]1O[C@H](CO)[C@@H]([N+](=O)[O-])[C@@H]1O	687762921	571969260	/nfs/dbraw/zinc/96/92/60/571969260.db2.gz	RXSQNRRSXAOKMR-ARQDHWQXSA-N	0	2	193.155	-1.644	10	5		AABELN
CO[C@@H]1O[C@H](CO)C([N+](=O)[O-])[C@H]1O	687762923	571969624	/nfs/dbraw/zinc/96/96/24/571969624.db2.gz	RXSQNRRSXAOKMR-KVTDHHQDSA-N	0	2	193.155	-1.644	10	5		AABELN
CO[C@@H]1O[C@H](CO)[C@@H]([N+](=O)[O-])[C@H]1O	687762923	571969626	/nfs/dbraw/zinc/96/96/26/571969626.db2.gz	RXSQNRRSXAOKMR-KVTDHHQDSA-N	0	2	193.155	-1.644	10	5		AABELN
NS(=O)(=O)c1nc[nH]c1[N+](=O)[O-]	8615693	169240851	/nfs/dbraw/zinc/24/08/51/169240851.db2.gz	XARPOFSVXQKPFU-UHFFFAOYSA-N	0	2	192.156	-1.035	10	5		AABELN
Nc1c([N+](=O)[O-])c(=O)nc2[nH]cnn12	82386120	169282908	/nfs/dbraw/zinc/28/29/08/169282908.db2.gz	ULVGQYRBEFLAKB-UHFFFAOYSA-N	0	2	196.126	-1.092	10	5		AABELN
Nc1c([N+](=O)[O-])cnc(=O)n1O	6091146	169282923	/nfs/dbraw/zinc/28/29/23/169282923.db2.gz	QVLQTFWEBUBJLM-UHFFFAOYSA-N	0	2	172.100	-1.029	10	5		AABELN
O=C(Nc1nn[nH]n1)[C@@H]1C[C@H]1[N+](=O)[O-]	1293899301	1170172743	/nfs/dbraw/zinc/17/27/43/1170172743.db2.gz	JZVJDQOLELMSEN-PWNYCUMCSA-N	0	2	198.142	-1.197	10	5		AABELN
O=C(Nc1nn[nH]n1)[C@@H]1CC1[N+](=O)[O-]	1293899301	1170172757	/nfs/dbraw/zinc/17/27/57/1170172757.db2.gz	JZVJDQOLELMSEN-PWNYCUMCSA-N	0	2	198.142	-1.197	10	5		AABELN