smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCNC(=O)[C@@H](Cc1ccccc1)NCP(=O)([O-])[O-]	ZINC000027561416	202157866	/nfs/dbraw/zinc/15/78/66/202157866.db2.gz	RRECHJMJHOXSBV-LLVKDONJSA-N	-3	3	330.277	-0.087	1	0		EBAFHL
N[C@@]1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC[C@H]2[C@H](C(=O)[O-])[C@H]21	ZINC000028469949	202171104	/nfs/dbraw/zinc/17/11/04/202171104.db2.gz	VHYAHUPGQCJOLU-SMXCXOSKSA-N	-2	3	348.355	-0.058	1	0		EBAFHL
Nc1ncnc2c1ncn2[C@H]1O[C@H](CCP(=O)([O-])[O-])[C@@H]1CO	ZINC000026152903	202139149	/nfs/dbraw/zinc/13/91/49/202139149.db2.gz	PXJJAJWPCRPVLB-CVJICSNFSA-N	-2	3	329.253	-0.518	1	0		EBAFHL
Nc1ncnc2c1ncn2[C@H]1O[C@H](CCCP(=O)([O-])[O-])[C@@H]1CO	ZINC000029572044	202189582	/nfs/dbraw/zinc/18/95/82/202189582.db2.gz	RMJKEQYTRNXWGU-SXMVTHIZSA-N	-2	3	343.280	-0.128	1	0		EBAFHL
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CCP(=O)([O-])[O-])[C@@H]1CO	ZINC000026152888	202138556	/nfs/dbraw/zinc/13/85/56/202138556.db2.gz	PXJJAJWPCRPVLB-HFJPGXAFSA-N	-2	3	329.253	-0.518	1	0		EBAFHL
O=C1[N-]C(=O)[C@H](c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])N1	ZINC000073167713	203258943	/nfs/dbraw/zinc/25/89/43/203258943.db2.gz	UMSFJKHJYDJXQZ-ZETCQYMHSA-N	-3	3	336.303	-0.940	1	0		EBAFHL
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CCP(=O)([O-])[O-])[C@@H]1CO	ZINC000026152881	202138866	/nfs/dbraw/zinc/13/88/66/202138866.db2.gz	PXJJAJWPCRPVLB-OKTBNZSVSA-N	-2	3	329.253	-0.518	1	0		EBAFHL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCP(=O)([O-])[O-])[C@@H]1CO	ZINC000026152896	202138657	/nfs/dbraw/zinc/13/86/57/202138657.db2.gz	PXJJAJWPCRPVLB-MVKOHCKWSA-N	-2	3	329.253	-0.518	1	0		EBAFHL
O=c1[n-]c(=O)n([C@@H]2C[C@H](F)[C@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000029205226	202183275	/nfs/dbraw/zinc/18/32/75/202183275.db2.gz	DFYACPPPTKHKFG-QTSITTDLSA-N	-3	3	328.164	-0.589	1	0		EBAFHL
Cc1cc(C)nc(NCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])n1	ZINC000001859958	377162879	/nfs/dbraw/zinc/16/28/79/377162879.db2.gz	QLPMIRMKWMMPBF-UHFFFAOYSA-N	-4	3	341.197	-0.103	1	0		EBAFHL
O=C1[N-]C(=O)[C@@H](c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])N1	ZINC000073167711	216359658	/nfs/dbraw/zinc/35/96/58/216359658.db2.gz	UMSFJKHJYDJXQZ-SSDOTTSWSA-N	-3	3	336.303	-0.940	1	0		EBAFHL
O=c1[n-]c(=O)n([C@@H]2C[C@@H](F)[C@@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000169304585	226239111	/nfs/dbraw/zinc/23/91/11/226239111.db2.gz	DFYACPPPTKHKFG-QXRNQMCJSA-N	-3	3	328.164	-0.589	1	0		EBAFHL
Nc1nc2nn(COCCCCCP(=O)([O-])[O-])nc2c(=O)[nH]1	ZINC000028016288	581100418	/nfs/dbraw/zinc/10/04/18/581100418.db2.gz	VZELQIWMEQWCRH-UHFFFAOYSA-N	-2	3	332.257	-0.581	1	0		EBAFHL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@@H](CO)C(=O)[O-])c1[O-]	ZINC000002047254	560186362	/nfs/dbraw/zinc/18/63/62/560186362.db2.gz	ODVKKQWXKRZJLG-VIFPVBQESA-N	-3	3	336.237	-0.760	1	0	in-vitro	EBAFHL
O=c1ccn(Cc2cn(CCCCP(=O)([O-])[O-])nn2)c(=O)[nH]1	ZINC000103278352	219281275	/nfs/dbraw/zinc/28/12/75/219281275.db2.gz	RBZSWUQIWFHGNX-UHFFFAOYSA-N	-2	3	329.253	-0.866	1	0		EBAFHL
O=c1c(O[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O)coc2cc([O-])cc([O-])c12	ZINC000095919263	560054559	/nfs/dbraw/zinc/05/45/59/560054559.db2.gz	OZPUECXAPPJJNO-AWUDHZIESA-N	-2	3	326.257	-0.978	1	0	biogenic,in-vitro	EBAFHL
Cc1cn(Cc2cn(CCCCP(=O)([O-])[O-])nn2)c(=O)[nH]c1=O	ZINC000098052881	219073541	/nfs/dbraw/zinc/07/35/41/219073541.db2.gz	OWPSPUZNCRZARL-UHFFFAOYSA-N	-2	3	343.280	-0.557	1	0		EBAFHL
N[C@H](Cn1ccc(=O)n(Cc2ccc(C(=O)[O-])cc2)c1=O)C(=O)[O-]	ZINC000039279921	213233080	/nfs/dbraw/zinc/23/30/80/213233080.db2.gz	XLRLZPOBHPIDFX-LLVKDONJSA-N	-2	3	333.300	-0.832	1	0	in-vitro	EBAFHL
Cc1ncc(COP(=O)([O-])[O-])c(CN[C@H]2CO[N-]C2=O)c1[O-]	ZINC000002046990	560186302	/nfs/dbraw/zinc/18/63/02/560186302.db2.gz	NNRZSZJOQKAGTO-VIFPVBQESA-N	-4	3	333.237	-0.775	1	0	in-vitro	EBAFHL
Cc1ncc(COP(=O)([O-])[O-])c(CN[C@H]2CO[N-]C2=O)c1O	ZINC000002046990	560186304	/nfs/dbraw/zinc/18/63/04/560186304.db2.gz	NNRZSZJOQKAGTO-VIFPVBQESA-N	-3	3	333.237	-0.775	1	0	in-vitro	EBAFHL
Cc1cn(C[C@H](N)C(=O)[O-])c(=O)n(Cc2ccccc2C(=O)[O-])c1=O	ZINC000035323581	213021823	/nfs/dbraw/zinc/02/18/23/213021823.db2.gz	INFYMHSPYPIMBU-LBPRGKRZSA-N	-2	3	347.327	-0.523	1	0		EBAFHL
Cc1cn(C[C@H](N)C(=O)[O-])c(=O)n(Cc2ccoc2C(=O)[O-])c1=O	ZINC000035324272	213022348	/nfs/dbraw/zinc/02/23/48/213022348.db2.gz	FVOROBNPSXTTAH-VIFPVBQESA-N	-2	3	337.288	-0.930	1	0		EBAFHL
C[C@@H]1O[C@H](Oc2coc3cc([O-])cc([O-])c3c2=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000085541412	560071539	/nfs/dbraw/zinc/07/15/39/560071539.db2.gz	XCVOCJFOQNDTNC-RSDNSXNDSA-N	-2	3	340.284	-0.590	1	0	biogenic,in-vitro	EBAFHL