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-])[C@@H]1O[C@@H](Oc2cc([O-])c3c(=O)cc(-c4ccc([O-])cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000002583719	562928359	/nfs/dbraw/zinc/92/83/59/562928359.db2.gz	JBFOLLJCGUCDQP-GQUPQBGVSA-N	-3	3	446.364	0.142	40	0		ICABHL
O=C([O-])[C@H]1O[C@H](Oc2cc([O-])c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000013515109	557335054	/nfs/dbraw/zinc/33/50/54/557335054.db2.gz	BDCRTIDKZGEVEN-WOUBLJFOSA-N	-2	3	448.380	0.075	40	0		ICABHL
O=C([O-])[C@H]1O[C@H](Oc2cc([O-])c3c(c2)O[C@@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000013515110	557335026	/nfs/dbraw/zinc/33/50/26/557335026.db2.gz	BDCRTIDKZGEVEN-XQOYAEJJSA-N	-2	3	448.380	0.075	40	0		ICABHL
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-]	ZINC000015721227	556545002	/nfs/dbraw/zinc/54/50/02/556545002.db2.gz	IHVRJTCVMKJNRP-IRXDYDNUSA-N	-2	3	445.476	0.188	40	0		ICABHL
O=C([O-])[C@H]1O[C@@H](Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000031161007	291317077	/nfs/dbraw/zinc/31/70/77/291317077.db2.gz	IDRSJGHHZXBATQ-ZFORQUDYSA-N	-2	3	430.365	0.437	40	0	biogenic,in-vitro	ICABHL
O=C(C=C1SC(=O)[N-]C1=O)NCCCCCCNC(=O)C=C1SC(=O)[N-]C1=O	ZINC000032597747	556542194	/nfs/dbraw/zinc/54/21/94/556542194.db2.gz	MKYKVWUEYSGFGH-FIFLTTCUSA-N	-2	3	426.476	0.513	40	0		ICABHL
O=C([O-])[C@H]1O[C@@H](Oc2ccc(-c3coc4cc([O-])cc([O-])c4c3=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000035454640	526336432	/nfs/dbraw/zinc/33/64/32/526336432.db2.gz	NHEBJNCJBWUPCK-ZFORQUDYSA-N	-3	3	446.364	0.142	40	0	endogenous,in-man	ICABHL
O=C([O-])[C@H]1O[C@@H](Oc2cc([O-])c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000049180748	568907745	/nfs/dbraw/zinc/90/77/45/568907745.db2.gz	BDCRTIDKZGEVEN-CGXGPNJMSA-N	-2	3	448.380	0.075	40	0	endogenous,in-man	ICABHL
O=C([O-])[C@H]1O[C@@H](Oc2cc([O-])c3c(c2)O[C@@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000049180751	557368593	/nfs/dbraw/zinc/36/85/93/557368593.db2.gz	BDCRTIDKZGEVEN-ZJIWIORTSA-N	-2	3	448.380	0.075	40	0	endogenous,in-man	ICABHL
O=C([O-])[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc([O-])cc4)coc3c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000070455474	291317086	/nfs/dbraw/zinc/31/70/86/291317086.db2.gz	MMIBOZXVZLENRZ-ZFORQUDYSA-N	-2	3	430.365	0.437	40	0	endogenous,in-man	ICABHL
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1	ZINC000223809169	557515961	/nfs/dbraw/zinc/51/59/61/557515961.db2.gz	FBJVBCDCKOYIQY-CQSZACIVSA-N	-2	3	437.507	0.840	40	0		ICABHL
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1	ZINC000223809169	557515958	/nfs/dbraw/zinc/51/59/58/557515958.db2.gz	FBJVBCDCKOYIQY-CQSZACIVSA-N	-2	3	437.507	0.840	40	0		ICABHL
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1	ZINC000223809176	557516019	/nfs/dbraw/zinc/51/60/19/557516019.db2.gz	FBJVBCDCKOYIQY-AWEZNQCLSA-N	-2	3	437.507	0.840	40	0		ICABHL
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1	ZINC000223809176	557516016	/nfs/dbraw/zinc/51/60/16/557516016.db2.gz	FBJVBCDCKOYIQY-AWEZNQCLSA-N	-2	3	437.507	0.840	40	0		ICABHL
C[C@]1(O)CC2(CCN(C(=O)CCC(=O)[O-])CC2)OC[C@@H]1n1cc(Cl)c(=O)[n-]c1=O	ZINC000257242828	568684922	/nfs/dbraw/zinc/68/49/22/568684922.db2.gz	IEIVBAUDHDTWSJ-SJCJKPOMSA-N	-2	3	429.857	0.541	40	0		ICABHL
O=C([O-])CC1(CC(=O)N[C@@H]2CC[C@@H](n3cc(F)c(=O)[n-]c3=O)[C@H](O)[C@@H]2O)CCCC1	ZINC000257272780	568698978	/nfs/dbraw/zinc/69/89/78/568698978.db2.gz	NDVSRRPGKPSGEY-BHTHQVBYSA-N	-2	3	427.429	0.055	40	0		ICABHL
O=C([O-])CC1(CC(=O)N[C@@H]2CC[C@@H](n3cc(F)c(=O)[n-]c3=O)[C@@H](O)[C@@H]2O)CCCC1	ZINC000257272781	568698752	/nfs/dbraw/zinc/69/87/52/568698752.db2.gz	NDVSRRPGKPSGEY-CZPYZCIJSA-N	-2	3	427.429	0.055	40	0		ICABHL
C[C@]1(O)CC2(CCN(C(=O)CCCC(=O)[O-])CC2)OC[C@@H]1n1cc(Cl)c(=O)[n-]c1=O	ZINC000257297350	568710172	/nfs/dbraw/zinc/71/01/72/568710172.db2.gz	RGWUUCDQLOMNSL-UGSOOPFHSA-N	-2	3	443.884	0.931	40	0		ICABHL
C[C@]1(O)CC2(CCN(C(=O)CCCC(=O)[O-])CC2)OC[C@@H]1n1cc(F)c(=O)[n-]c1=O	ZINC000257304640	568713340	/nfs/dbraw/zinc/71/33/40/568713340.db2.gz	SMMBRTGXLUPAAC-UGSOOPFHSA-N	-2	3	427.429	0.417	40	0		ICABHL
C[C@]1(O)CC2(CCN(C(=O)C=CC(=O)[O-])CC2)OC[C@@H]1n1cc(Cl)c(=O)[n-]c1=O	ZINC000257314595	568717272	/nfs/dbraw/zinc/71/72/72/568717272.db2.gz	UXQXDKNEEOMVBK-UOULLERFSA-N	-2	3	427.841	0.317	40	0		ICABHL
COc1cc(OC)cc(-c2nnc(SC(=Cc3c([O-])[nH]c(=O)[n-]c3=O)C(=O)[O-])o2)c1	ZINC000408631660	556003242	/nfs/dbraw/zinc/00/32/42/556003242.db2.gz	GCWWVWNCQGFWPU-IZZDOVSWSA-N	-3	3	434.386	0.797	40	0		ICABHL