smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(C[C@](F)(N(F)F)C(F)(F)[S-])cc1	ZINC000098073379	431977403	/nfs/dbraw/zinc/97/74/03/431977403.db2.gz	VXGXBJQCZUVFSJ-VIFPVBQESA-N	-2	0	301.236	3.187	50	30		DGEARL
O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)ccc2F)c([O-])c1	ZINC000328598720	656062323	/nfs/dbraw/zinc/06/23/23/656062323.db2.gz	NYLPGJTUCXQZOX-QHHAFSJGSA-N	-2	0	304.248	3.265	50	30		DGEARL
C=C(C)C(=O)OCCCCCCCCCCOP(=O)([O-])[O-]	ZINC000005158188	181211529	/nfs/dbraw/zinc/21/15/29/181211529.db2.gz	CFKBCVIYTWDYRP-UHFFFAOYSA-N	-2	0	322.338	3.336	50	30		DGEARL
O=C([O-])c1ccc(C[C@](F)(N(F)F)C(F)(F)[S-])c(F)c1	ZINC000098073381	431977858	/nfs/dbraw/zinc/97/78/58/431977858.db2.gz	OFUWDDGITNVVSI-VIFPVBQESA-N	-2	0	319.226	3.326	50	30		DGEARL
O=C([O-])c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000000457735	431187041	/nfs/dbraw/zinc/18/70/41/431187041.db2.gz	GLZSDIMNGWESIQ-LICLKQGHSA-N	-2	0	324.365	3.188	50	30		DGEARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000016607394	182053451	/nfs/dbraw/zinc/05/34/51/182053451.db2.gz	KZZBKMOVGUWOME-ZVCOJXFSSA-N	-2	0	321.336	3.126	50	30		DGEARL
O=C([O-])c1ccc(C(=O)/C=C\c2cc(F)ccc2F)c([O-])c1	ZINC000606443508	400913490	/nfs/dbraw/zinc/91/34/90/400913490.db2.gz	NYLPGJTUCXQZOX-KXFIGUGUSA-N	-2	0	304.248	3.265	50	30		DGEARL
Oc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1F	ZINC000001272310	431217607	/nfs/dbraw/zinc/21/76/07/431217607.db2.gz	HPTVVZIBCMAXQP-RQZCQDPDSA-N	-2	0	314.345	3.335	50	30		DGEARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000100150000	431981104	/nfs/dbraw/zinc/98/11/04/431981104.db2.gz	KZZBKMOVGUWOME-YDDPGSGASA-N	-2	0	321.336	3.126	50	30		DGEARL
O=[N+]([O-])c1cc(C=NNc2ccc3ccccc3n2)c([O-])cc1[O-]	ZINC000004705095	431300932	/nfs/dbraw/zinc/30/09/32/431300932.db2.gz	ZOPHSZRDIHXRDI-RQZCQDPDSA-N	-2	0	324.296	3.000	50	30		DGEARL
O=[N+]([O-])c1cc(/C=N/c2ccccc2[S-])c([O-])c([N+](=O)[O-])c1	ZINC000003086984	431281015	/nfs/dbraw/zinc/28/10/15/431281015.db2.gz	WZUMCCCFILPFLU-VGOFMYFVSA-N	-2	0	319.298	3.248	50	30		DGEARL
O=C([O-])c1ccc(C[C@@](F)(N(F)F)C(F)(F)[S-])cc1	ZINC000098073380	431977892	/nfs/dbraw/zinc/97/78/92/431977892.db2.gz	VXGXBJQCZUVFSJ-SECBINFHSA-N	-2	0	301.236	3.187	50	30		DGEARL
O=C([O-])c1ccc(C[C@@](F)(N(F)F)C(F)(F)[S-])c(F)c1	ZINC000098073382	431977599	/nfs/dbraw/zinc/97/75/99/431977599.db2.gz	OFUWDDGITNVVSI-SECBINFHSA-N	-2	0	319.226	3.326	50	30		DGEARL
CC1=Nc2ccccc2C1=[NH+][N-]c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000100891896	431983134	/nfs/dbraw/zinc/98/31/34/431983134.db2.gz	YCKLQNWEBXTQFJ-HKWRFOASSA-N	-2	0	323.308	3.005	50	30		DGEARL
O=C([O-])c1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000000520328	431196984	/nfs/dbraw/zinc/19/69/84/431196984.db2.gz	IHTCRKMFCXCVRX-LICLKQGHSA-N	-2	0	324.365	3.188	50	30		DGEARL