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-])C1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	687756831	571950917	/nfs/dbraw/zinc/95/09/17/571950917.db2.gz	MLLGPLISSSHYMU-GNFDWLABSA-N	0	1	193.155	-2.521	10	5		AABEMN
O=[N+]([O-])C1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	687756832	571951765	/nfs/dbraw/zinc/95/17/65/571951765.db2.gz	MLLGPLISSSHYMU-KGJVWPDLSA-N	0	1	193.155	-2.521	10	5		AABEMN
O=[N+]([O-])[C@H]1[C@H](O)[C@@H]2OC[C@@H](O2)[C@@H]1O	687756468	571952786	/nfs/dbraw/zinc/95/27/86/571952786.db2.gz	KAQJDOPSKBREPP-RWOPYEJCSA-N	0	1	191.139	-1.891	10	5		AABEMN
O=[N+]([O-])[C@@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@H]1O	687756467	571953022	/nfs/dbraw/zinc/95/30/22/571953022.db2.gz	KAQJDOPSKBREPP-QZABAPFNSA-N	0	1	191.139	-1.891	10	5		AABEMN
CO[C@@H]1OC[C@@H](O)[C@H]([N+](=O)[O-])[C@@H]1O	687757800	571955886	/nfs/dbraw/zinc/95/58/86/571955886.db2.gz	POIMMYHTTPMTAF-DPYQTVNSSA-N	0	1	193.155	-1.644	10	5		AABEMN
CO[C@@H]1OC[C@H](O)[C@@H]([N+](=O)[O-])[C@H]1O	687757802	571955984	/nfs/dbraw/zinc/95/59/84/571955984.db2.gz	POIMMYHTTPMTAF-SLPGGIOYSA-N	0	1	193.155	-1.644	10	5		AABEMN
CO[C@@H]1OC[C@H](O)[C@H]([N+](=O)[O-])[C@@H]1O	687757801	571956492	/nfs/dbraw/zinc/95/64/92/571956492.db2.gz	POIMMYHTTPMTAF-OMMKOOBNSA-N	0	1	193.155	-1.644	10	5		AABEMN
CO[C@@H]1OC[C@H](O)[C@@H]([N+](=O)[O-])[C@@H]1O	687757799	571956906	/nfs/dbraw/zinc/95/69/06/571956906.db2.gz	POIMMYHTTPMTAF-BGPJRJDNSA-N	0	1	193.155	-1.644	10	5		AABEMN
CO[C@@H]1OC[C@H](O)[C@H]([N+](=O)[O-])[C@H]1O	687757803	571957227	/nfs/dbraw/zinc/95/72/27/571957227.db2.gz	POIMMYHTTPMTAF-UNTFVMJOSA-N	0	1	193.155	-1.644	10	5		AABEMN
CO[C@@H]1OC[C@@H](O)[C@@H]([N+](=O)[O-])[C@@H]1O	687757865	571957257	/nfs/dbraw/zinc/95/72/57/571957257.db2.gz	POIMMYHTTPMTAF-ARQDHWQXSA-N	0	1	193.155	-1.644	10	5		AABEMN
CO[C@H]1OC[C@H](O)[C@@H]([N+](=O)[O-])[C@@H]1O	687757866	571957263	/nfs/dbraw/zinc/95/72/63/571957263.db2.gz	POIMMYHTTPMTAF-FSIIMWSLSA-N	0	1	193.155	-1.644	10	5		AABEMN
O=[N+]([O-])[C@@H]1[C@H](O)CO[C@@H](O)[C@H]1O	687762795	571966231	/nfs/dbraw/zinc/96/62/31/571966231.db2.gz	NAQIIWGSCQZIAO-SQOUGZDYSA-N	0	1	179.128	-2.298	10	5		AABEMN
O=[N+]([O-])[C@@H]1[C@H](O)CO[C@@H](O)[C@@H]1O	687762796	571966456	/nfs/dbraw/zinc/96/64/56/571966456.db2.gz	NAQIIWGSCQZIAO-TXICZTDVSA-N	0	1	179.128	-2.298	10	5		AABEMN
O=[N+]([O-])[C@@H]1[C@H](O)CO[C@H](O)[C@@H]1O	687762793	571966488	/nfs/dbraw/zinc/96/64/88/571966488.db2.gz	NAQIIWGSCQZIAO-AIHAYLRMSA-N	0	1	179.128	-2.298	10	5		AABEMN
O=[N+]([O-])C1[C@H](O)CO[C@H](CO)[C@@H]1O	687762761	571966988	/nfs/dbraw/zinc/96/69/88/571966988.db2.gz	FFTAFFHZYLIZDF-KAZBKCHUSA-N	0	1	193.155	-2.255	10	5		AABEMN
O=[N+]([O-])[C@@H]1O[C@H]2[C@@H](OC[C@H]2O)[C@H]1O	687762777	571967266	/nfs/dbraw/zinc/96/72/66/571967266.db2.gz	ICSGNSAOQIGBSZ-DGPNFKTASA-N	0	1	191.139	-1.891	10	5		AABEMN
O=[N+]([O-])[C@@H]1O[C@@H]2[C@H](O)CO[C@@H]2[C@@H]1O	687762776	571967648	/nfs/dbraw/zinc/96/76/48/571967648.db2.gz	ICSGNSAOQIGBSZ-AIECOIEWSA-N	0	1	191.139	-1.891	10	5		AABEMN
O=[N+]([O-])C1[C@H](O)CO[C@@H](CO)[C@@H]1O	687762763	571967718	/nfs/dbraw/zinc/96/77/18/571967718.db2.gz	FFTAFFHZYLIZDF-MOJAZDJTSA-N	0	1	193.155	-2.255	10	5		AABEMN
O=[N+]([O-])C1[C@H](O)CO[C@H](CO)[C@H]1O	687762762	571967794	/nfs/dbraw/zinc/96/77/94/571967794.db2.gz	FFTAFFHZYLIZDF-KVTDHHQDSA-N	0	1	193.155	-2.255	10	5		AABEMN
O=[N+]([O-])[C@@H]1[C@H](O)CO[C@H](O)[C@H]1O	687762794	571967988	/nfs/dbraw/zinc/96/79/88/571967988.db2.gz	NAQIIWGSCQZIAO-MBMOQRBOSA-N	0	1	179.128	-2.298	10	5		AABEMN
O=C(NCCO)[C@H]1CC1[N+](=O)[O-]	308138571	572810605	/nfs/dbraw/zinc/81/06/05/572810605.db2.gz	FURONPLCUGUNDO-WHFBIAKZSA-N	0	1	174.156	-1.240	10	5		AABEMN
NC(=O)[C@@H](N)Cn1cc([N+](=O)[O-])cn1	127809665	574045313	/nfs/dbraw/zinc/04/53/13/574045313.db2.gz	ADRCDXRUBKDLKW-YFKPBYRVSA-N	0	1	199.170	-1.396	10	5		AABEMN
NC(=O)[C@@H](N)Cn1cnc([N+](=O)[O-])c1	127808704	574045626	/nfs/dbraw/zinc/04/56/26/574045626.db2.gz	BKXHUKZLDFQFNR-BYPYZUCNSA-N	0	1	199.170	-1.396	10	5		AABEMN
NC(=O)[C@H](N)Cn1cc([N+](=O)[O-])cn1	127809874	574046575	/nfs/dbraw/zinc/04/65/75/574046575.db2.gz	ADRCDXRUBKDLKW-RXMQYKEDSA-N	0	1	199.170	-1.396	10	5		AABEMN
NC(=O)[C@H](N)Cn1cnc([N+](=O)[O-])c1	127808941	574046608	/nfs/dbraw/zinc/04/66/08/574046608.db2.gz	BKXHUKZLDFQFNR-SCSAIBSYSA-N	0	1	199.170	-1.396	10	5		AABEMN
O=C(NCCO)[C@@H]1CC1[N+](=O)[O-]	308138569	757099673	/nfs/dbraw/zinc/09/96/73/757099673.db2.gz	FURONPLCUGUNDO-RFZPGFLSSA-N	0	1	174.156	-1.240	10	5		AABEMN
NC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])N1	1617201750	1170806682	/nfs/dbraw/zinc/80/66/82/1170806682.db2.gz	VYAGFTUCHCGKIQ-RFZPGFLSSA-N	0	1	198.182	-1.202	10	5		AABEMN