smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2CO[C@@H](CO)CCP(=O)([O-])[O-])c(=O)[nH]1	ZINC000001538774	201359340	/nfs/dbraw/zinc/35/93/40/201359340.db2.gz	QVNXYSKNFUJRMI-ZCFIWIBFSA-N	-2	3	333.241	-1.395	1	0		EAAFHL
O=P([O-])([O-])C(NC[C@H](O)CN1CCOCC1)P(=O)([O-])[O-]	ZINC000003597154	210062351	/nfs/dbraw/zinc/06/23/51/210062351.db2.gz	PLXPPHXWVKMKAV-ZETCQYMHSA-N	-4	3	334.202	-2.092	1	0		EAAFHL
O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000003871119	210082623	/nfs/dbraw/zinc/08/26/23/210082623.db2.gz	HFEKDTCAMMOLQP-LYFYHCNISA-N	-3	3	326.173	-1.567	1	0		EAAFHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2O[P@](=O)([O-])O[C@H]21	ZINC000013536330	571703754	/nfs/dbraw/zinc/70/37/54/571703754.db2.gz	SBJVDTBACUMFFD-KQYNXXCUSA-N	-2	3	330.193	-1.106	1	0	endogenous,in-man	EAAFHL
CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000013541639	560219239	/nfs/dbraw/zinc/21/92/39/560219239.db2.gz	PVMPDMIKUVNOBD-CIUDSAMLSA-N	-2	3	333.341	-2.119	1	0	in-vitro	EAAFHL
N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1OP(=O)([O-])[O-]	ZINC000013548846	560219688	/nfs/dbraw/zinc/21/96/88/560219688.db2.gz	SHDYQZNYDQDWFM-UKFBFLRUSA-N	-4	3	339.130	-3.021	1	0	in-vitro	EAAFHL
O=C([O-])C[NH2+]CCN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1	ZINC000029053163	202180985	/nfs/dbraw/zinc/18/09/85/202180985.db2.gz	CGKPVFVRGBODQC-UHFFFAOYSA-N	-2	3	346.384	-2.251	1	0		EAAFHL
O=Cc1cn([C@@H]2O[C@H]3[C@@H](O[C@H](C(=O)[O-])[C@@H](O)[C@H]3O)[C@H]2O)c(=O)[n-]1	ZINC000031544675	201387877	/nfs/dbraw/zinc/38/78/77/201387877.db2.gz	MCEHHDMQJDREQZ-ZVMZQBCWSA-N	-2	3	330.249	-3.179	1	0	in-vitro	EAAFHL
O=c1ccn([C@@H]2O[C@H]([C@H](O)CP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000034985792	213003576	/nfs/dbraw/zinc/00/35/76/213003576.db2.gz	DXQASGAWSKQGQC-PMPOVCSBSA-N	-2	3	338.209	-3.306	1	0		EAAFHL
Nc1ccn([C@@H]2O[C@H]([C@H](O)CP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1	ZINC000034985943	213004143	/nfs/dbraw/zinc/00/41/43/213004143.db2.gz	TWLLPPNWXLNVCC-PMPOVCSBSA-N	-2	3	337.225	-3.017	1	0		EAAFHL
Nc1nc2c(ncn2CCO[C@@H](CO)CP(=O)([O-])[O-])c(=O)[nH]1	ZINC000072177543	216066269	/nfs/dbraw/zinc/06/62/69/216066269.db2.gz	DOSXPBXUTXZEJX-LURJTMIESA-N	-2	3	333.241	-1.743	1	0		EAAFHL
Nc1nc2c(ncn2CCO[C@H](CO)CP(=O)([O-])[O-])c(=O)[nH]1	ZINC000072177544	216066082	/nfs/dbraw/zinc/06/60/82/216066082.db2.gz	DOSXPBXUTXZEJX-ZCFIWIBFSA-N	-2	3	333.241	-1.743	1	0		EAAFHL
O=c1ccn([C@@H]2[C@H]3C[C@@]3(CCP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000073293046	216374040	/nfs/dbraw/zinc/37/40/40/216374040.db2.gz	FUFOHGCOOQKEEN-PHXRMZQKSA-N	-2	3	332.249	-1.613	1	0		EAAFHL
O=C([O-])C=CC(=O)NC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O	ZINC000096902655	218897284	/nfs/dbraw/zinc/89/72/84/218897284.db2.gz	WUBZXMSVVLRMDZ-YJBXJIGQSA-N	-2	3	343.267	-1.919	1	0		EAAFHL
Nc1ncnc2c1ncn2[C@H]1O[C@@]([O-])(OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000169293705	226238176	/nfs/dbraw/zinc/23/81/76/226238176.db2.gz	PSYQCDOVMYLKIL-YSPBZLIWSA-N	-3	3	349.196	-2.586	1	0		EAAFHL
O=c1ccn([C@@H]2O[C@H]([C@H](O)CP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000169308916	226238755	/nfs/dbraw/zinc/23/87/55/226238755.db2.gz	DXQASGAWSKQGQC-DFPOFIQKSA-N	-2	3	338.209	-3.306	1	0		EAAFHL
Nc1ccn([C@@H]2O[C@H]([C@H](O)CP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000169308923	226240734	/nfs/dbraw/zinc/24/07/34/226240734.db2.gz	TWLLPPNWXLNVCC-DFPOFIQKSA-N	-2	3	337.225	-3.017	1	0		EAAFHL
Nc1ccn([C@@H]2O[C@H]([C@H](O)CP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)n1	ZINC000169308929	226240845	/nfs/dbraw/zinc/24/08/45/226240845.db2.gz	TWLLPPNWXLNVCC-GPMKSPRZSA-N	-2	3	337.225	-3.017	1	0		EAAFHL
O=c1ccn([C@@H]2O[C@H]([C@H](O)CP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000169308931	226240769	/nfs/dbraw/zinc/24/07/69/226240769.db2.gz	DXQASGAWSKQGQC-DDIGBBAMSA-N	-2	3	338.209	-3.306	1	0		EAAFHL
O=c1ccn([C@@H]2O[C@H]([C@@H](O)CP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000169308934	226240408	/nfs/dbraw/zinc/24/04/08/226240408.db2.gz	DXQASGAWSKQGQC-IHMGDUAMSA-N	-2	3	338.209	-3.306	1	0		EAAFHL
O=c1[n-]c(=O)n([C@@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1Cl	ZINC000169713630	685216084	/nfs/dbraw/zinc/21/60/84/685216084.db2.gz	RBQXEHDSKLSKLJ-XVMARJQXSA-N	-3	3	342.628	-1.052	1	0		EAAFHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@H]1O	ZINC000004533543	538896277	/nfs/dbraw/zinc/89/62/77/538896277.db2.gz	DMJWGQPYNRPLGA-PERBPWGJSA-N	-2	3	330.193	-1.106	2	0		EAAFHL
O=c1[nH]cnc2[n-]c([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)nc21	ZINC000021983269	374262944	/nfs/dbraw/zinc/26/29/44/374262944.db2.gz	SPNZKHUWDMVMQN-SHUUEZRQSA-N	-3	3	348.208	-2.083	2	0		EAAFHL
O=c1[nH]cnc2nc([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)[n-]c21	ZINC000021983269	374262939	/nfs/dbraw/zinc/26/29/39/374262939.db2.gz	SPNZKHUWDMVMQN-SHUUEZRQSA-N	-3	3	348.208	-2.083	2	0		EAAFHL