smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000002097407	562925778	/nfs/dbraw/zinc/92/57/78/562925778.db2.gz	DWVANBHPEPSMOV-LSCFUAHRSA-N	-1	2	437.349	0.167	50	0	biogenic	ICAALM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000002097407	562925777	/nfs/dbraw/zinc/92/57/77/562925777.db2.gz	DWVANBHPEPSMOV-LSCFUAHRSA-N	-1	2	437.349	0.167	50	0	biogenic	ICAALM
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1OC	ZINC000003423533	556815192	/nfs/dbraw/zinc/81/51/92/556815192.db2.gz	OAPLOUDWZNHEIC-ONEGZZNKSA-N	-1	2	449.441	0.800	50	0		ICAALM
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	ZINC000013543704	291317095	/nfs/dbraw/zinc/31/70/95/291317095.db2.gz	JBFOLLJCGUCDQP-ZFORQUDYSA-N	-1	2	446.364	0.142	50	0	biogenic,in-vivo	ICAALM
COc1c2c(cc3c1CC1(C(=O)NC(=O)NC1=O)[C@@H](c1c([O-])[nH]c(=O)[nH]c1=O)C3)OCO2	ZINC000017196418	557035014	/nfs/dbraw/zinc/03/50/14/557035014.db2.gz	VFFBDMYDAPOTDG-MRVPVSSYSA-N	-1	2	444.356	0.563	50	0	biogenic	ICAALM
COc1c2c(cc3c1CC1(C(=O)NC(=O)NC1=O)[C@H](c1c([O-])[nH]c(=O)[nH]c1=O)C3)OCO2	ZINC000017196422	521886488	/nfs/dbraw/zinc/88/64/88/521886488.db2.gz	VFFBDMYDAPOTDG-QMMMGPOBSA-N	-1	2	444.356	0.563	50	0	biogenic	ICAALM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357871	569084876	/nfs/dbraw/zinc/08/48/76/569084876.db2.gz	CPPYWLRJWARROA-KDOFPFPSSA-N	-1	2	435.502	0.807	50	0		ICAALM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357872	569084841	/nfs/dbraw/zinc/08/48/41/569084841.db2.gz	CPPYWLRJWARROA-RDTXWAMCSA-N	-1	2	435.502	0.807	50	0		ICAALM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357873	569084893	/nfs/dbraw/zinc/08/48/93/569084893.db2.gz	CPPYWLRJWARROA-KSSFIOAISA-N	-1	2	435.502	0.807	50	0		ICAALM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357874	569084845	/nfs/dbraw/zinc/08/48/45/569084845.db2.gz	CPPYWLRJWARROA-KBXCAEBGSA-N	-1	2	435.502	0.807	50	0		ICAALM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc21	ZINC000036358630	569085304	/nfs/dbraw/zinc/08/53/04/569085304.db2.gz	HCRVMOPEPCCSFT-KUHUBIRLSA-N	-1	2	435.502	0.656	50	0		ICAALM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc21	ZINC000036358631	569085258	/nfs/dbraw/zinc/08/52/58/569085258.db2.gz	HCRVMOPEPCCSFT-AUUYWEPGSA-N	-1	2	435.502	0.656	50	0		ICAALM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc21	ZINC000036358632	569085301	/nfs/dbraw/zinc/08/53/01/569085301.db2.gz	HCRVMOPEPCCSFT-LIRRHRJNSA-N	-1	2	435.502	0.656	50	0		ICAALM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc21	ZINC000036358633	569085266	/nfs/dbraw/zinc/08/52/66/569085266.db2.gz	HCRVMOPEPCCSFT-IFXJQAMLSA-N	-1	2	435.502	0.656	50	0		ICAALM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036359537	569086462	/nfs/dbraw/zinc/08/64/62/569086462.db2.gz	NPDDGZVNJAQQKZ-KDOFPFPSSA-N	-1	2	435.502	0.807	50	0		ICAALM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036359538	569086378	/nfs/dbraw/zinc/08/63/78/569086378.db2.gz	NPDDGZVNJAQQKZ-RDTXWAMCSA-N	-1	2	435.502	0.807	50	0		ICAALM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036359539	569086447	/nfs/dbraw/zinc/08/64/47/569086447.db2.gz	NPDDGZVNJAQQKZ-KSSFIOAISA-N	-1	2	435.502	0.807	50	0		ICAALM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036359540	569086395	/nfs/dbraw/zinc/08/63/95/569086395.db2.gz	NPDDGZVNJAQQKZ-KBXCAEBGSA-N	-1	2	435.502	0.807	50	0		ICAALM
Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1C(=O)[O-]	ZINC000040267670	569497473	/nfs/dbraw/zinc/49/74/73/569497473.db2.gz	BAVVFWVBQSRDGO-ACJLOTCBSA-N	-1	2	435.502	0.807	50	0		ICAALM
Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1C(=O)[O-]	ZINC000040267671	569497494	/nfs/dbraw/zinc/49/74/94/569497494.db2.gz	BAVVFWVBQSRDGO-FZKQIMNGSA-N	-1	2	435.502	0.807	50	0		ICAALM
Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1C(=O)[O-]	ZINC000040267672	569497485	/nfs/dbraw/zinc/49/74/85/569497485.db2.gz	BAVVFWVBQSRDGO-UGSOOPFHSA-N	-1	2	435.502	0.807	50	0		ICAALM
Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1C(=O)[O-]	ZINC000040267673	569497479	/nfs/dbraw/zinc/49/74/79/569497479.db2.gz	BAVVFWVBQSRDGO-SCLBCKFNSA-N	-1	2	435.502	0.807	50	0		ICAALM
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	ZINC000085487691	291316755	/nfs/dbraw/zinc/31/67/55/291316755.db2.gz	JBFOLLJCGUCDQP-YRIDSSQKSA-N	-1	2	446.364	0.142	50	0	biogenic,in-vitro	ICAALM
COc1ccc(S(=O)(=O)Nc2nc3ncccn3n2)c([N-]S(=O)(=O)C(F)F)c1	ZINC000095977819	569377729	/nfs/dbraw/zinc/37/77/29/569377729.db2.gz	YGQDDZCWFZIARO-UHFFFAOYSA-N	-1	2	434.406	0.898	50	0		ICAALM
O=C1NC(=O)C(O)(c2c([O-])c3ccccc3n(Cc3ccccc3Cl)c2=O)C(=O)N1	ZINC000100197813	557247031	/nfs/dbraw/zinc/24/70/31/557247031.db2.gz	OKBGJLYQXYHDMF-UHFFFAOYSA-N	-1	2	427.800	0.962	50	0		ICAALM