smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN=Nc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)c1	ZINC000016215388	556591641	/nfs/dbraw/zinc/59/16/41/556591641.db2.gz	NXJFOGLJJYVYRV-WONXFWQZSA-N	0	1	432.393	-1.109	40	30		IAEBMN
Nc1nc2c(nc(N=NCc3ccc([N+](=O)[O-])o3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000016430353	557473341	/nfs/dbraw/zinc/47/33/41/557473341.db2.gz	OXGYOIYULNIVTO-KDWZJZQMSA-N	0	1	436.341	-1.740	40	30		IAEBMN
Nc1nc2c(nc(N=NCc3ccc([N+](=O)[O-])o3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000016430356	568624328	/nfs/dbraw/zinc/62/43/28/568624328.db2.gz	OXGYOIYULNIVTO-HYXTZSEKSA-N	0	1	436.341	-1.740	40	30		IAEBMN
Nc1nc2c(nc(N=NCc3ccc([N+](=O)[O-])o3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000016430359	568624203	/nfs/dbraw/zinc/62/42/03/568624203.db2.gz	OXGYOIYULNIVTO-LEFDSTLVSA-N	0	1	436.341	-1.740	40	30		IAEBMN
COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc1O	ZINC000019119345	557497905	/nfs/dbraw/zinc/49/79/05/557497905.db2.gz	ACGPPAIPQPXQAN-CJBFEEFESA-N	0	1	447.408	-1.527	40	30		IAEBMN
COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc1O	ZINC000019119349	557497890	/nfs/dbraw/zinc/49/78/90/557497890.db2.gz	ACGPPAIPQPXQAN-STKKBKMJSA-N	0	1	447.408	-1.527	40	30		IAEBMN
COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O	ZINC000019119353	557497811	/nfs/dbraw/zinc/49/78/11/557497811.db2.gz	ACGPPAIPQPXQAN-QFMVQRRPSA-N	0	1	447.408	-1.527	40	30		IAEBMN
COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)ccc1O	ZINC000035183232	521997264	/nfs/dbraw/zinc/99/72/64/521997264.db2.gz	ACGPPAIPQPXQAN-BYARVBTNSA-N	0	1	447.408	-1.527	40	30		IAEBMN
COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)ccc1O	ZINC000035183233	521997015	/nfs/dbraw/zinc/99/70/15/521997015.db2.gz	ACGPPAIPQPXQAN-UZQNXXMGSA-N	0	1	447.408	-1.527	40	30		IAEBMN
Nc1nc2c(nc(N=NCc3ccc([N+](=O)[O-])o3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000035183234	555962521	/nfs/dbraw/zinc/96/25/21/555962521.db2.gz	OXGYOIYULNIVTO-SQBFFEIGSA-N	0	1	436.341	-1.740	40	30		IAEBMN
Nc1nc2c(nc(N=NCc3ccc([N+](=O)[O-])o3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000035183235	555962468	/nfs/dbraw/zinc/96/24/68/555962468.db2.gz	OXGYOIYULNIVTO-OJCBJYGOSA-N	0	1	436.341	-1.740	40	30		IAEBMN
COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)ccc1O	ZINC000257346746	557008629	/nfs/dbraw/zinc/00/86/29/557008629.db2.gz	ACGPPAIPQPXQAN-IZNBTGBVSA-N	0	1	447.408	-1.114	40	30		IAEBMN
COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O	ZINC000257346747	557008608	/nfs/dbraw/zinc/00/86/08/557008608.db2.gz	ACGPPAIPQPXQAN-SNEZMTJISA-N	0	1	447.408	-1.114	40	30		IAEBMN
COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)ccc1O	ZINC000257346748	557008777	/nfs/dbraw/zinc/00/87/77/557008777.db2.gz	ACGPPAIPQPXQAN-ZUBNAVOQSA-N	0	1	447.408	-1.114	40	30		IAEBMN
Nc1nc2c(nc(N=NCc3ccc([N+](=O)[O-])o3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000257346794	557008823	/nfs/dbraw/zinc/00/88/23/557008823.db2.gz	OXGYOIYULNIVTO-VERIQJBYSA-N	0	1	436.341	-1.327	40	30		IAEBMN
Nc1nc2c(nc(N=NCc3ccc([N+](=O)[O-])o3)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000257346795	557008764	/nfs/dbraw/zinc/00/87/64/557008764.db2.gz	OXGYOIYULNIVTO-YPTCUZFQSA-N	0	1	436.341	-1.327	40	30		IAEBMN
Nc1nc2c(nc(N=NCc3ccc([N+](=O)[O-])o3)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000257346796	557008851	/nfs/dbraw/zinc/00/88/51/557008851.db2.gz	OXGYOIYULNIVTO-YQQRJMCASA-N	0	1	436.341	-1.327	40	30		IAEBMN