smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)[N-]NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	ZINC000001582169	555704207	/nfs/dbraw/zinc/70/42/07/555704207.db2.gz	XIGYGSWHUUFLKZ-UHFFFAOYSA-N	-1	2	432.476	0.893	40	0		ICABLM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccccc2)[C@@H](O)[C@H]1O	ZINC000001852448	568925030	/nfs/dbraw/zinc/92/50/30/568925030.db2.gz	DWVANBHPEPSMOV-MJFSBKNWSA-N	-1	2	437.349	0.167	40	0		ICABLM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccccc2)[C@@H](O)[C@H]1O	ZINC000001852448	568925029	/nfs/dbraw/zinc/92/50/29/568925029.db2.gz	DWVANBHPEPSMOV-MJFSBKNWSA-N	-1	2	437.349	0.167	40	0		ICABLM
O=C([O-])[C@@H]1O[C@@H](Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000002583719	562928358	/nfs/dbraw/zinc/92/83/58/562928358.db2.gz	JBFOLLJCGUCDQP-GQUPQBGVSA-N	-1	2	446.364	0.142	40	0		ICABLM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@@H](O)[C@H]1O	ZINC000003212712	568925549	/nfs/dbraw/zinc/92/55/49/568925549.db2.gz	DWVANBHPEPSMOV-PLNCSYRRSA-N	-1	2	437.349	0.167	40	0		ICABLM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@@H](O)[C@H]1O	ZINC000003212712	568925547	/nfs/dbraw/zinc/92/55/47/568925547.db2.gz	DWVANBHPEPSMOV-PLNCSYRRSA-N	-1	2	437.349	0.167	40	0		ICABLM
CCOC(=O)C(NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1)C(=O)OCC	ZINC000005004405	556027441	/nfs/dbraw/zinc/02/74/41/556027441.db2.gz	ZTVUIAHPTXJCFI-UHFFFAOYSA-N	-1	2	430.435	0.263	40	0		ICABLM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000005412148	556051414	/nfs/dbraw/zinc/05/14/14/556051414.db2.gz	DWVANBHPEPSMOV-VYHVBIQSSA-N	-1	2	437.349	0.167	40	0		ICABLM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000005412148	556051409	/nfs/dbraw/zinc/05/14/09/556051409.db2.gz	DWVANBHPEPSMOV-VYHVBIQSSA-N	-1	2	437.349	0.167	40	0		ICABLM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000005412151	556051481	/nfs/dbraw/zinc/05/14/81/556051481.db2.gz	DWVANBHPEPSMOV-ZCTGUTNYSA-N	-1	2	437.349	0.167	40	0		ICABLM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000005412151	556051477	/nfs/dbraw/zinc/05/14/77/556051477.db2.gz	DWVANBHPEPSMOV-ZCTGUTNYSA-N	-1	2	437.349	0.167	40	0		ICABLM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccccc2)[C@@H](O)[C@@H]1O	ZINC000005412155	556051706	/nfs/dbraw/zinc/05/17/06/556051706.db2.gz	DWVANBHPEPSMOV-SYEQVDHESA-N	-1	2	437.349	0.167	40	0		ICABLM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccccc2)[C@@H](O)[C@@H]1O	ZINC000005412155	556051704	/nfs/dbraw/zinc/05/17/04/556051704.db2.gz	DWVANBHPEPSMOV-SYEQVDHESA-N	-1	2	437.349	0.167	40	0		ICABLM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@@H](O)[C@@H]1O	ZINC000005412158	556051690	/nfs/dbraw/zinc/05/16/90/556051690.db2.gz	DWVANBHPEPSMOV-XZBIERFOSA-N	-1	2	437.349	0.167	40	0		ICABLM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@@H](O)[C@@H]1O	ZINC000005412158	556051686	/nfs/dbraw/zinc/05/16/86/556051686.db2.gz	DWVANBHPEPSMOV-XZBIERFOSA-N	-1	2	437.349	0.167	40	0		ICABLM
CC(=O)O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H](CNC(=O)C(F)(F)F)O1	ZINC000005574429	556059725	/nfs/dbraw/zinc/05/97/25/556059725.db2.gz	KMKLIKYVQZRGBT-XKNYDFJKSA-N	-1	2	438.277	0.322	40	0		ICABLM
CC(=O)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H](CNC(=O)C(F)(F)F)O1	ZINC000005574431	556059848	/nfs/dbraw/zinc/05/98/48/556059848.db2.gz	KMKLIKYVQZRGBT-QEYWKRMJSA-N	-1	2	438.277	0.322	40	0		ICABLM
CC(=O)O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H](CNC(=O)C(F)(F)F)O1	ZINC000005574433	556059826	/nfs/dbraw/zinc/05/98/26/556059826.db2.gz	KMKLIKYVQZRGBT-KATARQTJSA-N	-1	2	438.277	0.322	40	0		ICABLM
CC(=O)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H](CNC(=O)C(F)(F)F)O1	ZINC000005574434	556059858	/nfs/dbraw/zinc/05/98/58/556059858.db2.gz	KMKLIKYVQZRGBT-RGOKHQFPSA-N	-1	2	438.277	0.322	40	0		ICABLM
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	291317076	/nfs/dbraw/zinc/31/70/76/291317076.db2.gz	IDRSJGHHZXBATQ-ZFORQUDYSA-N	-1	2	430.365	0.437	40	0	biogenic,in-vitro	ICABLM
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	526336426	/nfs/dbraw/zinc/33/64/26/526336426.db2.gz	NHEBJNCJBWUPCK-ZFORQUDYSA-N	-1	2	446.364	0.142	40	0	endogenous,in-man	ICABLM
O=C([O-])[C@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(=O)c-4c3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000035454640	526336419	/nfs/dbraw/zinc/33/64/19/526336419.db2.gz	NHEBJNCJBWUPCK-ZFORQUDYSA-N	-1	2	446.364	0.142	40	0	endogenous,in-man	ICABLM
O=C([O-])[C@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000036375370	556597553	/nfs/dbraw/zinc/59/75/53/556597553.db2.gz	ATUYSKUVHUPXBV-ZFORQUDYSA-N	-1	2	430.365	0.437	40	0	endogenous,in-man	ICABLM
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCCN(C(=O)CCCNC(=O)c2cncc(O)c2)CC1	ZINC000257227396	568677610	/nfs/dbraw/zinc/67/76/10/568677610.db2.gz	FPBYYKZHMPQYDT-NRFANRHFSA-N	-1	2	441.492	0.638	40	0		ICABLM
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCCN(C(=O)CCCNC(=O)c2cncc(O)c2)CC1	ZINC000257227397	568677668	/nfs/dbraw/zinc/67/76/68/568677668.db2.gz	FPBYYKZHMPQYDT-OAQYLSRUSA-N	-1	2	441.492	0.638	40	0		ICABLM
COc1cc(OC)cc(-c2nnc(SC(=Cc3c(O)[nH]c(=O)[nH]c3=O)C(=O)[O-])o2)c1	ZINC000408631660	556003239	/nfs/dbraw/zinc/00/32/39/556003239.db2.gz	GCWWVWNCQGFWPU-IZZDOVSWSA-N	-1	2	434.386	0.797	40	0		ICABLM
COc1cc(OC)cc(-c2nc(SC(=Cc3c(O)[nH]c(=O)[nH]c3=O)C(=O)[O-])n[nH]2)c1	ZINC000408632186	556005349	/nfs/dbraw/zinc/00/53/49/556005349.db2.gz	HVHDKGWMKBHING-IZZDOVSWSA-N	-1	2	433.402	0.532	40	0		ICABLM