smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2ccc(C(=O)NC(=O)c3ccccc3[O-])c([O-])c2n1	ZINC000040891587	183146630	/nfs/dbraw/zinc/14/66/30/183146630.db2.gz	JBCLBLNCZZPOPM-UHFFFAOYSA-N	-2	3	322.320	2.525	1	0		DFAFHL
COc1ccc2oc(-c3ccc([O-])cc3)c(C(=O)[O-])c(=O)c2c1	ZINC000042890235	183316906	/nfs/dbraw/zinc/31/69/06/183316906.db2.gz	MIQJLXRUKQLDHX-UHFFFAOYSA-N	-2	3	312.277	2.872	1	0		DFAFHL
O=C([O-])c1ccc2[n-]c(-c3cc4ccc([O-])cc4oc3=O)nc2c1	ZINC000004370967	181103548	/nfs/dbraw/zinc/10/35/48/181103548.db2.gz	BTZWQRDXXRSNHO-UHFFFAOYSA-N	-3	3	322.276	2.740	1	0		DFAFHL
COc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc(C)c1O	ZINC000085648705	560066997	/nfs/dbraw/zinc/06/69/97/560066997.db2.gz	UWOCAPHKEVQLDY-UHFFFAOYSA-N	-2	3	314.293	2.894	1	0	biogenic,in-vitro	DFAFHL
Cc1c([O-])c(C=O)c(O)c(C(=O)CCc2ccccc2)c1[O-]	ZINC000014815207	560226540	/nfs/dbraw/zinc/22/65/40/560226540.db2.gz	HKKGGXRAYMJKFW-UHFFFAOYSA-N	-2	3	300.310	2.740	1	0	biogenic,in-vitro	DFAFHL
CO[C@H]1Oc2ccccc2-c2c(=O)c3c([O-])cc([O-])cc3oc21	ZINC000096917856	185391353	/nfs/dbraw/zinc/39/13/53/185391353.db2.gz	FEMUUAWKOBNFCK-KRWDZBQOSA-N	-2	3	312.277	2.909	1	0		DFAFHL
COc1cc(-c2cc(=O)c3ccc([O-])cc3o2)cc(OC)c1[O-]	ZINC000040950619	183150650	/nfs/dbraw/zinc/15/06/50/183150650.db2.gz	UDPWTADYMOHCIH-UHFFFAOYSA-N	-2	3	314.293	2.888	1	0		DFAFHL
COc1cc2cc(-c3ccc([O-])cc3)c(=O)oc2c(OC)c1[O-]	ZINC000073168167	191287606	/nfs/dbraw/zinc/28/76/06/191287606.db2.gz	QVEXKSVJJGBRKA-UHFFFAOYSA-N	-2	3	314.293	2.888	1	0		DFAFHL
O=C(NCc1ccc(F)cc1)c1cc(=O)c2cccc([O-])c2[n-]1	ZINC000082152551	192362263	/nfs/dbraw/zinc/36/22/63/192362263.db2.gz	VTGSJZBOIKPIMF-UHFFFAOYSA-N	-2	3	312.300	2.715	1	0		DFAFHL
COc1cc(O)cc(-c2coc3cc([O-])cc([O-])c3c2=O)c1	ZINC000085644074	560067406	/nfs/dbraw/zinc/06/74/06/560067406.db2.gz	ADKPZCOYGZJTBN-UHFFFAOYSA-N	-2	3	300.266	2.585	1	0	biogenic,in-vitro	DFAFHL
CC(=O)Oc1c(=O)cc2oc(-c3ccccc3)cc([O-])c-2c1[O-]	ZINC000013584558	560219937	/nfs/dbraw/zinc/21/99/37/560219937.db2.gz	RDHQCRSDWNIXDH-UHFFFAOYSA-N	-2	3	312.277	2.797	1	0	biogenic,in-vitro	DFAFHL
O=c1[n-]c(=S)nc2cc(-c3ccc(Br)cc3)[n-]n21	ZINC000096928234	185392081	/nfs/dbraw/zinc/39/20/81/185392081.db2.gz	OOQQQYYMIGUDIO-UHFFFAOYSA-N	-2	3	323.175	2.922	1	0		DFAFHL
O=c1cc(-c2ccc3c(c2)OCCO3)oc2cc([O-])cc([O-])c12	ZINC000040828615	183138069	/nfs/dbraw/zinc/13/80/69/183138069.db2.gz	YXEDWXKXAROFJA-UHFFFAOYSA-N	-2	3	312.277	2.642	1	0		DFAFHL
COc1cc([O-])ccc1-c1c(=O)oc2cc([O-])ccc2c1OC	ZINC000095913476	560056603	/nfs/dbraw/zinc/05/66/03/560056603.db2.gz	PXSVDMHMINDZHY-UHFFFAOYSA-N	-2	3	314.293	2.888	1	0	biogenic,in-vitro	DFAFHL
O=S(=O)([N-]c1ccccc1)c1ccc([O-])c2ncccc12	ZINC000064600147	184301223	/nfs/dbraw/zinc/30/12/23/184301223.db2.gz	XFKQAZQQRYZUAF-UHFFFAOYSA-N	-2	3	300.339	2.741	1	0		DFAFHL
CO[C@@H]1Oc2ccccc2-c2c(=O)c3c([O-])cc([O-])cc3oc21	ZINC000096917859	185391442	/nfs/dbraw/zinc/39/14/42/185391442.db2.gz	FEMUUAWKOBNFCK-QGZVFWFLSA-N	-2	3	312.277	2.909	1	0		DFAFHL
COc1ccc(NC(=O)c2cc(=O)c3cccc([O-])c3[n-]2)cc1	ZINC000073199518	191291932	/nfs/dbraw/zinc/29/19/32/191291932.db2.gz	BVBUWFWVYNBPMS-UHFFFAOYSA-N	-2	3	310.309	2.907	1	0		DFAFHL
[O-]c1c(-c2n[n-]c(Cc3ccccc3)n2)ncc2cccnc21	ZINC000006717757	181376573	/nfs/dbraw/zinc/37/65/73/181376573.db2.gz	FRLMOPXJKYHCTA-UHFFFAOYSA-N	-2	3	303.325	2.711	1	0		DFAFHL
COc1ccc(-c2coc3cc([O-])ccc3c2=O)c(OC)c1[O-]	ZINC000004175520	181081646	/nfs/dbraw/zinc/08/16/46/181081646.db2.gz	WDHLJEOPUWGKKG-UHFFFAOYSA-N	-2	3	314.293	2.888	1	0	in-vitro	DFAFHL
O=c1[n-]c(=S)nc2c(-c3ccc(Br)cc3)c[n-]n21	ZINC000096922738	185391674	/nfs/dbraw/zinc/39/16/74/185391674.db2.gz	GPHKIRHCXZIUBJ-UHFFFAOYSA-N	-2	3	323.175	2.922	1	0		DFAFHL
COc1ccc(Oc2cc(=O)c3c([O-])cc([O-])cc3o2)cc1O	ZINC000014775986	290910826	/nfs/dbraw/zinc/91/08/26/290910826.db2.gz	QTRKHMNULYYBDM-UHFFFAOYSA-N	-2	3	316.265	2.711	1	0	biogenic,in-vitro	DFAFHL
CCOc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)ccc1O	ZINC000064437215	184297109	/nfs/dbraw/zinc/29/71/09/184297109.db2.gz	CAIHJQODXVKKJZ-UHFFFAOYSA-N	-2	3	314.293	2.976	1	0		DFAFHL
CCC(CC)(CP(=O)([O-])[O-])C(CC)(CC)P(=O)([O-])[O-]	ZINC000095938340	426375390	/nfs/dbraw/zinc/37/53/90/426375390.db2.gz	SIAKEPZNZAQOAQ-UHFFFAOYSA-N	-4	3	316.271	2.707	2	0		DFAFHL
CC(C)=CCC/C(C)=C/CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000013742033	560220337	/nfs/dbraw/zinc/22/03/37/560220337.db2.gz	HMRLDZHPNDPQNS-JXMROGBWSA-N	-4	3	312.239	2.751	1	0	in-vitro	DFAFHL
COc1c([O-])c2c(O)c(-c3ccccc3[O-])coc-2c(C)c1=O	ZINC000072109157	191037706	/nfs/dbraw/zinc/03/77/06/191037706.db2.gz	PDDVFFPFQMGXKN-UHFFFAOYSA-N	-2	3	314.293	2.894	1	0	in-vitro	DFAFHL