smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c(/N=C(\c2nn[n-]n2)c2c([O-])c3ccccc3n(C)c2=O)c(C)c1	ZINC000102768242	570292178	/nfs/dbraw/zinc/29/21/78/570292178.db2.gz	ONOSCWKNALASDV-PYCFMQQDSA-N	-2	1	388.431	2.852	50	30		GFEAML
C=CCn1c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c(=O)c2ccccc21	ZINC000006073580	209143320	/nfs/dbraw/zinc/14/33/20/209143320.db2.gz	WHAVTEWDJRTXLP-UHFFFAOYSA-N	-2	1	381.344	2.759	50	30		GFEAML
C#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1	ZINC000024346765	570401565	/nfs/dbraw/zinc/40/15/65/570401565.db2.gz	GPVYMGIPISHCBX-UHFFFAOYSA-N	-2	1	380.219	2.929	50	30		GFEAML
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000217655975	533708192	/nfs/dbraw/zinc/70/81/92/533708192.db2.gz	ZZJHGLUCZPHJDO-OAHLLOKOSA-N	-2	1	380.352	2.923	50	30		GFEAML
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)[N-]C1=S	ZINC000001014862	212100263	/nfs/dbraw/zinc/10/02/63/212100263.db2.gz	CCDYBBZIZVDPAD-XNTDXEJSSA-N	-2	1	396.424	2.766	50	30		GFEAML
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000217656056	533614441	/nfs/dbraw/zinc/61/44/41/533614441.db2.gz	ZZJHGLUCZPHJDO-HNNXBMFYSA-N	-2	1	380.352	2.923	50	30		GFEAML
O=C([O-])Cc1sc(NN=Cc2ccc(-c3ccc(Cl)cc3)o2)nc1[O-]	ZINC000006998985	527631535	/nfs/dbraw/zinc/63/15/35/527631535.db2.gz	LQKKHYXHUOXDQE-VFJJTOLMSA-N	-2	1	377.809	2.996	50	30		GFEAML
C=CCN1C(=O)C(=Cc2cccn2-c2cccc(C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000015013574	518828277	/nfs/dbraw/zinc/82/82/77/518828277.db2.gz	RWHRXYCLVQMLGZ-RVDMUPIBSA-N	-2	1	381.413	2.829	50	30		GFEAML
Nc1c(-c2nc(-c3ccccc3)cs2)c([O-])cn1N=Cc1ccc(O)c(O)c1	ZINC000013689374	570668597	/nfs/dbraw/zinc/66/85/97/570668597.db2.gz	LQJBORJQRNUTGJ-LSFURLLWSA-N	-2	1	392.440	2.767	50	30		GFEAML
C/C(=N\[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1c([O-])cc(C)oc1=O	ZINC000017079869	518462865	/nfs/dbraw/zinc/46/28/65/518462865.db2.gz	OLNYUIOLPMOJAH-CAOOACKPSA-N	-2	1	391.232	2.663	50	30		GFEAML