smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@H]2CC[C@]1(C)[C@@H](O[P@@](=O)([O-])OP(=O)([O-])[O-])C2	ZINC000008218277	560207289	/nfs/dbraw/zinc/20/72/89/560207289.db2.gz	VZPAJODTZAAANV-OYNCUSHFSA-N	-3	0	314.211	2.428	1	0	in-vitro	DEAFRL
CC(C)(C)Cc1sc(N)nc1-c1ccc(P(=O)([O-])[O-])o1	ZINC000066113400	184390589	/nfs/dbraw/zinc/39/05/89/184390589.db2.gz	DZIHZGSPDNFJBW-UHFFFAOYSA-N	-2	0	316.319	2.377	1	0		DEAFRL
Cc1ccc(C(=O)C[C@@H](SCC(=O)[O-])C(=O)[O-])c(Cl)c1	ZINC000028465629	182524596	/nfs/dbraw/zinc/52/45/96/182524596.db2.gz	CCEZYHIMCZBPFB-LLVKDONJSA-N	-2	0	316.762	2.492	1	0		DEAFRL
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[P@@](=O)([O-])OP(=O)([O-])[O-])C2	ZINC000003647962	560189152	/nfs/dbraw/zinc/18/91/52/560189152.db2.gz	VZPAJODTZAAANV-MRTMQBJTSA-N	-3	0	314.211	2.428	1	0	in-vitro	DEAFRL
O=C([O-])c1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000005731114	304247978	/nfs/dbraw/zinc/24/79/78/304247978.db2.gz	VOKVCOKHKXLBPC-LFSVMHDDSA-N	-2	0	303.314	2.070	1	0		DEAFRL
C[C@H](CCC[C@]1(C)OC[C@]2(CC(=O)[O-])CC[C@H]1O2)C(=O)[O-]	ZINC000027875970	182495054	/nfs/dbraw/zinc/49/50/54/182495054.db2.gz	JVVQJVHVFQFCPA-HKCMKHECSA-N	-2	0	300.351	2.059	1	0		DEAFRL
Cc1ccc2c(c1)C[C@@H](C(=O)[O-])N2C(=O)[C@H](C)C[C@@H](C)C(=O)[O-]	ZINC000028263973	182518569	/nfs/dbraw/zinc/51/85/69/182518569.db2.gz	NPQDICLNLGQFLG-GYSYKLTISA-N	-2	0	319.357	2.084	1	0		DEAFRL
O=C([O-])c1oc2cc([O-])cc(O)c2c(=O)c1-c1ccc(O)cc1	ZINC000039189525	183014958	/nfs/dbraw/zinc/01/49/58/183014958.db2.gz	MTSPIFFMYHIYCY-UHFFFAOYSA-N	-2	0	314.249	2.275	1	0		DEAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(-c2ccccc2)s1	ZINC000040979759	183154641	/nfs/dbraw/zinc/15/46/41/183154641.db2.gz	SHZBUNXLGFOVOY-UHFFFAOYSA-N	-2	0	322.282	2.455	1	0		DEAFRL
CC(C)=CCc1cc(/C=C/C(=O)[O-])ccc1OS(=O)(=O)[O-]	ZINC000015148215	560228968	/nfs/dbraw/zinc/22/89/68/560228968.db2.gz	AVUZOEYGJPUQDM-VMPITWQZSA-N	-2	0	312.343	2.475	1	0	biogenic,in-vitro	DEAFRL
CCCc1sc(N)nc1-c1cc(P(=O)([O-])[O-])ccc1C	ZINC000066101065	184389180	/nfs/dbraw/zinc/38/91/80/184389180.db2.gz	YDBKXLQVYYYQNQ-UHFFFAOYSA-N	-2	0	312.331	2.456	1	0		DEAFRL
COc1ccc(-c2cc(NC(=O)C(=O)[O-])c(C(=O)[O-])s2)cc1	ZINC000013491458	181856262	/nfs/dbraw/zinc/85/62/62/181856262.db2.gz	FBXLTJIJKDMQMB-UHFFFAOYSA-N	-2	0	321.310	2.145	1	0		DEAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(C2CCCC2)s1	ZINC000066113403	184390495	/nfs/dbraw/zinc/39/04/95/184390495.db2.gz	IKTJCNUIUOCSHK-UHFFFAOYSA-N	-2	0	314.303	2.446	1	0		DEAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(C2CCC2)s1	ZINC000066113401	184390724	/nfs/dbraw/zinc/39/07/24/184390724.db2.gz	CFUKADGETNMIPE-UHFFFAOYSA-N	-2	0	300.276	2.056	1	0		DEAFRL
CC(C)=C[C@@H]1[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])C1(C)C	ZINC000013542931	560219427	/nfs/dbraw/zinc/21/94/27/560219427.db2.gz	AORLUAKWVIEOLL-BDAKNGLRSA-N	-3	0	314.211	2.451	1	0	in-vitro	DEAFRL
O=C(Cc1ccc(OP(=O)([O-])[O-])cc1)Nc1ccccc1	ZINC000096932000	185392566	/nfs/dbraw/zinc/39/25/66/185392566.db2.gz	AQKQSOQOEDWWON-UHFFFAOYSA-N	-2	0	307.242	2.339	1	0		DEAFRL
O=C([O-])CC[C@H](NC(=O)Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000013795353	181898410	/nfs/dbraw/zinc/89/84/10/181898410.db2.gz	TYEVQAYEZBPIHT-VIFPVBQESA-N	-2	0	317.750	2.460	1	0		DEAFRL
O=C([O-])c1cc(-n2[n-]c(=O)c3ccccc3c2=O)ccc1Cl	ZINC000023408829	182360304	/nfs/dbraw/zinc/36/03/04/182360304.db2.gz	BWYSBMFTSCWXII-UHFFFAOYSA-N	-2	0	316.700	2.443	3	0		DEAFRL
O=C([O-])CNC(=O)c1ncc(-c2ccc3ccccc3c2)cc1[O-]	ZINC000095590952	185382058	/nfs/dbraw/zinc/38/20/58/185382058.db2.gz	NTFMWXJMENAQDA-UHFFFAOYSA-N	-2	0	322.320	2.422	1	0		DEAFRL
CC(C)=C[C@H]1[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])C1(C)C	ZINC000013542932	560219398	/nfs/dbraw/zinc/21/93/98/560219398.db2.gz	AORLUAKWVIEOLL-IUCAKERBSA-N	-3	0	314.211	2.451	1	0	in-vitro	DEAFRL
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[P@@](=O)([O-])OP(=O)([O-])[O-])C2	ZINC000008218282	560207334	/nfs/dbraw/zinc/20/73/34/560207334.db2.gz	VZPAJODTZAAANV-WEDXCCLWSA-N	-3	0	314.211	2.428	1	0	in-vitro	DEAFRL
CC1(C)[C@H]2CC[C@]1(C)[C@H](O[P@@](=O)([O-])OP(=O)([O-])[O-])C2	ZINC000001529602	560180942	/nfs/dbraw/zinc/18/09/42/560180942.db2.gz	VZPAJODTZAAANV-QXFUBDJGSA-N	-3	0	314.211	2.428	1	0	in-vitro	DEAFRL
O=C([O-])C(=O)C=C([O-])c1ccc(NC(=O)c2ccccc2)s1	ZINC000038882570	183011822	/nfs/dbraw/zinc/01/18/22/183011822.db2.gz	PGJTVOPRVYITGY-UHFFFAOYSA-N	-2	0	317.322	2.227	1	0		DEAFRL
CC(C)=C[C@H]1[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])C1(C)C	ZINC000013542930	560219410	/nfs/dbraw/zinc/21/94/10/560219410.db2.gz	AORLUAKWVIEOLL-DTWKUNHWSA-N	-3	0	314.211	2.451	1	0	in-vitro	DEAFRL
COc1cccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c1	ZINC000042921949	183318440	/nfs/dbraw/zinc/31/84/40/183318440.db2.gz	RNQZPFNUQSPEKT-UHFFFAOYSA-N	-2	0	315.281	2.143	1	0		DEAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(-c2ccco2)s1	ZINC000066101828	184389586	/nfs/dbraw/zinc/38/95/86/184389586.db2.gz	QOGYJLKVYJQGDK-UHFFFAOYSA-N	-2	0	312.243	2.048	1	0		DEAFRL
CNc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(CC(C)C)s1	ZINC000066102533	184389630	/nfs/dbraw/zinc/38/96/30/184389630.db2.gz	CSBMGTCSBDVFHI-UHFFFAOYSA-N	-2	0	316.319	2.446	1	0		DEAFRL
Cc1cc([O-])cc2oc(Cc3cc([O-])cc(=O)o3)cc(=O)c12	ZINC000013369219	560215099	/nfs/dbraw/zinc/21/50/99/560215099.db2.gz	IJIOACBOMPSZIR-UHFFFAOYSA-N	-2	0	300.266	2.057	1	0	in-vitro	DEAFRL
CCCSc1sc(N)nc1-c1ccc(P(=O)([O-])[O-])o1	ZINC000040981039	183154620	/nfs/dbraw/zinc/15/46/20/183154620.db2.gz	PDIWITFANCJCPM-UHFFFAOYSA-N	-2	0	320.332	2.290	1	0		DEAFRL
CCCc1sc(N)nc1-c1ccc(P(=O)([O-])[O-])s1	ZINC000066102097	184389948	/nfs/dbraw/zinc/38/99/48/184389948.db2.gz	RPKTZPHRMLUFTG-UHFFFAOYSA-N	-2	0	304.333	2.209	1	0		DEAFRL