smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O)c2c(c1)C(=O)c1cccc(O[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O	ZINC000026978025	561831059	/nfs/dbraw/zinc/83/10/59/561831059.db2.gz	KBGOIDOUXFNKHS-DPALUKPESA-N	-2	0	568.487	0.636	1	10	biogenic,in-vitro	KCCFRL
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CC(=O)[O-])C[C@@H]3O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000028234578	561909564	/nfs/dbraw/zinc/90/95/64/561909564.db2.gz	YBNQPFUOGINHGU-ILZVAOGKSA-N	-2	0	725.578	0.747	1	10		KCCFRL
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)P(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000036152270	562048326	/nfs/dbraw/zinc/04/83/26/562048326.db2.gz	JUUPLNBGGKLDFT-FXQIFTODSA-N	-4	0	541.190	0.858	1	10		KCCFRL
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)P(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000036152279	562048321	/nfs/dbraw/zinc/04/83/21/562048321.db2.gz	JUUPLNBGGKLDFT-CSMHCCOUSA-N	-4	0	541.190	0.858	1	10		KCCFRL
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000036152287	562048311	/nfs/dbraw/zinc/04/83/11/562048311.db2.gz	ATXGWBPEWGUGFS-CIUDSAMLSA-N	-3	0	505.210	0.266	1	10		KCCFRL
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(OP(=O)([O-])[O-])OP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000036471088	562060830	/nfs/dbraw/zinc/06/08/30/562060830.db2.gz	RVVKNEWZZVFUFN-XLPZGREQSA-N	-4	0	507.182	0.155	1	10		KCCFRL
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])C[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000040447757	562077001	/nfs/dbraw/zinc/07/70/01/562077001.db2.gz	DGAUZSHUMUJTDF-GUBZILKMSA-N	-3	0	503.238	0.377	1	10		KCCFRL
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@@H](NP(=O)([O-])[O-])[C@H](O)[C@H](C)O1	ZINC000043833675	562650929	/nfs/dbraw/zinc/65/09/29/562650929.db2.gz	QNWYKDRKKRGUPD-GKPNIHARSA-N	-2	0	607.505	0.753	1	10		KCCFRL
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@](N)(=O)[O-])O2)c(=O)[nH]c1=O	ZINC000044070155	562652204	/nfs/dbraw/zinc/65/22/04/562652204.db2.gz	JYUXVXXZWSQKPF-CSMHCCOUSA-N	-3	0	540.206	0.825	1	10		KCCFRL
Nc1ccc(CCSc2nc3c(ncn3[C@@H]3O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c(N)n2)cc1	ZINC000049739457	562673447	/nfs/dbraw/zinc/67/34/47/562673447.db2.gz	IAEUEMYQURUPGA-LSCFUAHRSA-N	-4	0	658.416	0.288	1	10		KCCFRL
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](c1nnn[n-]1)[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1nnn[n-]1	ZINC000064447186	562705356	/nfs/dbraw/zinc/70/53/56/562705356.db2.gz	UBWKCYKMOLBASG-IABMMNSOSA-N	-2	0	522.434	0.831	1	10		KCCFRL
[N-]=[N+]=N[C@H]1C[C@H](n2cnc3c2nc(N)[nH]c3=O)O[C@@H]1CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000066098796	562711012	/nfs/dbraw/zinc/71/10/12/562711012.db2.gz	JZBFFCANYXZLES-KVQBGUIXSA-N	-4	0	532.196	0.012	1	10		KCCFRL
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OCc3cn(CCCCC(=O)NC4=C[C@H]5C(=O)c6ccccc6C(=O)[C@@H]5C=C4)nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000095539244	562754924	/nfs/dbraw/zinc/75/49/24/562754924.db2.gz	UBWDXEGVJSNNTA-MJTRHKLRSA-N	-2	0	831.629	0.415	1	10		KCCFRL
CCC[C@H]1O[C@H](CC(=O)[O-])C[C@]2(SC[C@H](NC(C)=O)C(=O)[O-])C(=O)c3cccc(O)c3C(=O)[C@@]12O	ZINC000096921446	562801431	/nfs/dbraw/zinc/80/14/31/562801431.db2.gz	LBTDZXFVMNOCLO-BLKQOEIDSA-N	-2	0	509.533	0.996	1	10		KCCFRL
O=C(NCc1cc(CNC(=O)c2cc(S(=O)(=O)[O-])cc(O)c2O)cc(CNC(=O)c2cc(S(=O)(=O)[O-])cc(O)c2O)c1)c1cc(S(=O)(=O)[O-])cc(O)c1O	ZINC000169334534	562859517	/nfs/dbraw/zinc/85/95/17/562859517.db2.gz	YVHTWDSSCPIISL-UHFFFAOYSA-N	-6	0	813.750	0.450	1	10		KCCFRL
O=C(NCCCCN(CCCNC(=O)c1cc(S(=O)(=O)[O-])cc(O)c1O)C(=O)c1cc(S(=O)(=O)[O-])cc(O)c1O)c1cc(S(=O)(=O)[O-])cc(O)c1O	ZINC000169334537	562859522	/nfs/dbraw/zinc/85/95/22/562859522.db2.gz	GJMLOFRRXVDXGW-UHFFFAOYSA-N	-6	0	793.760	0.133	1	10		KCCFRL
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OCc3cn(CCCCC(=O)NC4=C[C@@H]5C(=O)c6ccccc6C(=O)[C@@H]5C=C4)nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000169336780	562859905	/nfs/dbraw/zinc/85/99/05/562859905.db2.gz	UBWDXEGVJSNNTA-JRZCHNMNSA-N	-2	0	831.629	0.827	1	10		KCCFRL
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)Cc2ccc(OP(=O)([O-])[O-])cc2)[C@@H](O)[C@@H](C)O1	ZINC000169373294	562864885	/nfs/dbraw/zinc/86/48/85/562864885.db2.gz	NSAIMSDWJAHUEW-YTTTZTICSA-N	-3	0	757.638	0.873	1	10		KCCFRL
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OCc3cn(CCCCC(=O)NC4=C[C@@H]5C(=O)c6ccccc6C(=O)[C@H]5C=C4)nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000198194664	562872666	/nfs/dbraw/zinc/87/26/66/562872666.db2.gz	UBWDXEGVJSNNTA-HQJJHGIESA-N	-2	0	831.629	0.415	1	10		KCCFRL
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OCc3cn(CCCCC(=O)NC4=C[C@H]5C(=O)c6ccccc6C(=O)[C@H]5C=C4)nn3)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000198194680	562872646	/nfs/dbraw/zinc/87/26/46/562872646.db2.gz	UBWDXEGVJSNNTA-CJPFPLLKSA-N	-2	0	831.629	0.415	1	10		KCCFRL