smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cnn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000008615636	557796919	/nfs/dbraw/zinc/79/69/19/557796919.db2.gz	KVJXZDYOBONHQV-HTPUFBNKSA-N	-2	2	405.149	-3.223	40	0	in-vitro	HAABLL
O=c1cnn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000008615636	557796916	/nfs/dbraw/zinc/79/69/16/557796916.db2.gz	KVJXZDYOBONHQV-HTPUFBNKSA-N	-2	2	405.149	-3.223	40	0	in-vitro	HAABLL
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1F	ZINC000008617535	557797205	/nfs/dbraw/zinc/79/72/05/557797205.db2.gz	FOZCNVFQOJRHFF-FJDLHZNMSA-N	-2	2	422.151	-2.479	40	0		HAABLL
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1F	ZINC000008617535	557797204	/nfs/dbraw/zinc/79/72/04/557797204.db2.gz	FOZCNVFQOJRHFF-FJDLHZNMSA-N	-2	2	422.151	-2.479	40	0		HAABLL
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1F	ZINC000008617536	557797180	/nfs/dbraw/zinc/79/71/80/557797180.db2.gz	FOZCNVFQOJRHFF-LENIQADQSA-N	-2	2	422.151	-2.479	40	0		HAABLL
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1F	ZINC000008617536	557797177	/nfs/dbraw/zinc/79/71/77/557797177.db2.gz	FOZCNVFQOJRHFF-LENIQADQSA-N	-2	2	422.151	-2.479	40	0		HAABLL
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)cc1F	ZINC000008617537	557797201	/nfs/dbraw/zinc/79/72/01/557797201.db2.gz	FOZCNVFQOJRHFF-GCJQMDKQSA-N	-2	2	422.151	-2.479	40	0		HAABLL
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)cc1F	ZINC000008617537	557797200	/nfs/dbraw/zinc/79/72/00/557797200.db2.gz	FOZCNVFQOJRHFF-GCJQMDKQSA-N	-2	2	422.151	-2.479	40	0		HAABLL
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)cc1F	ZINC000008617538	557797125	/nfs/dbraw/zinc/79/71/25/557797125.db2.gz	FOZCNVFQOJRHFF-SKHQTKALSA-N	-2	2	422.151	-2.479	40	0		HAABLL
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)cc1F	ZINC000008617538	557797124	/nfs/dbraw/zinc/79/71/24/557797124.db2.gz	FOZCNVFQOJRHFF-SKHQTKALSA-N	-2	2	422.151	-2.479	40	0		HAABLL
O=c1cnn([C@@H]2O[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000017313775	558826864	/nfs/dbraw/zinc/82/68/64/558826864.db2.gz	KVJXZDYOBONHQV-UISOVIGQSA-N	-2	2	405.149	-3.223	40	0	in-vitro	HAABLL
O=c1cnn([C@@H]2O[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000017313775	558826863	/nfs/dbraw/zinc/82/68/63/558826863.db2.gz	KVJXZDYOBONHQV-UISOVIGQSA-N	-2	2	405.149	-3.223	40	0	in-vitro	HAABLL
O=S(=O)([O-])CN(CC[NH+]1CCN(CS(=O)(=O)[O-])CC1)CS(=O)(=O)[O-]	ZINC000022581323	558499994	/nfs/dbraw/zinc/49/99/94/558499994.db2.gz	GYLJPFNTGVYNNM-UHFFFAOYSA-N	-2	2	411.480	-2.558	40	0		HAABLL
O=C([O-])CC[C@@H](NC(=O)C[N@@H+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)[O-]	ZINC000022942269	558527637	/nfs/dbraw/zinc/52/76/37/558527637.db2.gz	SWFBKZGWDVKESR-SECBINFHSA-N	-4	2	421.359	-2.722	40	0		HAABLL
O=C([O-])CC[C@@H](NC(=O)C[N@H+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)[O-]	ZINC000022942269	558527634	/nfs/dbraw/zinc/52/76/34/558527634.db2.gz	SWFBKZGWDVKESR-SECBINFHSA-N	-4	2	421.359	-2.722	40	0		HAABLL
O=C([O-])CC[C@H](NC(=O)C[N@@H+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)[O-]	ZINC000022942272	558527719	/nfs/dbraw/zinc/52/77/19/558527719.db2.gz	SWFBKZGWDVKESR-VIFPVBQESA-N	-4	2	421.359	-2.722	40	0		HAABLL
O=C([O-])CC[C@H](NC(=O)C[N@H+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)[O-]	ZINC000022942272	558527717	/nfs/dbraw/zinc/52/77/17/558527717.db2.gz	SWFBKZGWDVKESR-VIFPVBQESA-N	-4	2	421.359	-2.722	40	0		HAABLL
O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)NC1N=NC(=S)S1	ZINC000022942299	558527628	/nfs/dbraw/zinc/52/76/28/558527628.db2.gz	JCMSBANPNXXJNH-UHFFFAOYSA-N	-2	2	407.430	-1.377	40	0		HAABLL
O=c1cnn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000062611057	558951735	/nfs/dbraw/zinc/95/17/35/558951735.db2.gz	KVJXZDYOBONHQV-HJEFZAFNSA-N	-2	2	405.149	-3.223	40	0	in-vitro	HAABLL
O=c1cnn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000062611057	558951731	/nfs/dbraw/zinc/95/17/31/558951731.db2.gz	KVJXZDYOBONHQV-HJEFZAFNSA-N	-2	2	405.149	-3.223	40	0	in-vitro	HAABLL
O=c1cnn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000062611062	558951674	/nfs/dbraw/zinc/95/16/74/558951674.db2.gz	KVJXZDYOBONHQV-CDGOZMSNSA-N	-2	2	405.149	-3.223	40	0	in-vitro	HAABLL
O=c1cnn([C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000062611062	558951672	/nfs/dbraw/zinc/95/16/72/558951672.db2.gz	KVJXZDYOBONHQV-CDGOZMSNSA-N	-2	2	405.149	-3.223	40	0	in-vitro	HAABLL