smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049771797	563203507	/nfs/dbraw/zinc/20/35/07/563203507.db2.gz	IFNIJFNEVBNCCA-DLLGKBFGSA-N	-1	2	474.451	1.554	1	30		JDEFLM
CCCCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049771797	563203508	/nfs/dbraw/zinc/20/35/08/563203508.db2.gz	IFNIJFNEVBNCCA-DLLGKBFGSA-N	-1	2	474.451	1.554	1	30		JDEFLM
C=CCCCCSc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(NC)n1	ZINC000013834246	563000915	/nfs/dbraw/zinc/00/09/15/563000915.db2.gz	TVMCEPOGTAJDQF-XNIJJKJLSA-N	-1	2	475.464	1.045	1	30		JDEFLM
C=CCCCCSc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(NC)n1	ZINC000013834246	563000916	/nfs/dbraw/zinc/00/09/16/563000916.db2.gz	TVMCEPOGTAJDQF-XNIJJKJLSA-N	-1	2	475.464	1.045	1	30		JDEFLM
CCCCCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049785697	563203798	/nfs/dbraw/zinc/20/37/98/563203798.db2.gz	SZFMTNIJNXWXIP-FDRFZEDHSA-N	-1	2	488.478	1.944	1	30		JDEFLM
CCCCCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049785697	563203799	/nfs/dbraw/zinc/20/37/99/563203799.db2.gz	SZFMTNIJNXWXIP-FDRFZEDHSA-N	-1	2	488.478	1.944	1	30		JDEFLM
CCCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049792926	563203920	/nfs/dbraw/zinc/20/39/20/563203920.db2.gz	ULHLQZBLXBEFDP-HEWDHTHVSA-N	-1	2	460.424	1.163	1	30		JDEFLM
CCCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049792926	563203921	/nfs/dbraw/zinc/20/39/21/563203921.db2.gz	ULHLQZBLXBEFDP-HEWDHTHVSA-N	-1	2	460.424	1.163	1	30		JDEFLM
CCCCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049771798	563203525	/nfs/dbraw/zinc/20/35/25/563203525.db2.gz	IFNIJFNEVBNCCA-BMYCAMMWSA-N	-1	2	474.451	1.554	1	30		JDEFLM
CCCCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049771798	563203526	/nfs/dbraw/zinc/20/35/26/563203526.db2.gz	IFNIJFNEVBNCCA-BMYCAMMWSA-N	-1	2	474.451	1.554	1	30		JDEFLM
CCCCCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049785698	563203831	/nfs/dbraw/zinc/20/38/31/563203831.db2.gz	SZFMTNIJNXWXIP-VZYKRBATSA-N	-1	2	488.478	1.944	1	30		JDEFLM
CCCCCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049785698	563203832	/nfs/dbraw/zinc/20/38/32/563203832.db2.gz	SZFMTNIJNXWXIP-VZYKRBATSA-N	-1	2	488.478	1.944	1	30		JDEFLM
CCCCCCCCS(=O)(=O)Nc1ccc[n+](CC(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000042890061	563163456	/nfs/dbraw/zinc/16/34/56/563163456.db2.gz	LCGMDYOONRPWIE-UHFFFAOYSA-O	-1	2	459.418	1.758	1	30		JDEFLM
CCCCCCCCS(=O)(=O)Nc1ccc[n+](CC(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000042890061	563163458	/nfs/dbraw/zinc/16/34/58/563163458.db2.gz	LCGMDYOONRPWIE-UHFFFAOYSA-O	-1	2	459.418	1.758	1	30		JDEFLM
C=CCCCCSc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(NC)n1	ZINC000049017996	563197495	/nfs/dbraw/zinc/19/74/95/563197495.db2.gz	TVMCEPOGTAJDQF-VSBTWAGUSA-N	-1	2	475.464	1.045	1	30		JDEFLM
C=CCCCCSc1nc2c(ncn2[C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(NC)n1	ZINC000049017996	563197497	/nfs/dbraw/zinc/19/74/97/563197497.db2.gz	TVMCEPOGTAJDQF-VSBTWAGUSA-N	-1	2	475.464	1.045	1	30		JDEFLM
CCCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049792927	563203925	/nfs/dbraw/zinc/20/39/25/563203925.db2.gz	ULHLQZBLXBEFDP-FGVQXAILSA-N	-1	2	460.424	1.163	1	30		JDEFLM
CCCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049792927	563203926	/nfs/dbraw/zinc/20/39/26/563203926.db2.gz	ULHLQZBLXBEFDP-FGVQXAILSA-N	-1	2	460.424	1.163	1	30		JDEFLM