smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)C(=CNc3cc([N+](=O)[O-])ccc3[O-])C(=O)[N-]C2=S)cc1	ZINC000408752664	231111452	/nfs/dbraw/zinc/11/14/52/231111452.db2.gz	JDHJDHAKDDZSEY-ATDWHHCWSA-N	-2	3	398.400	2.375	40	30		GEEBHL
Nn1c(NN=Cc2c([O-])c(Br)cc3ccccc32)n[n-]c1=S	ZINC000006942288	206220130	/nfs/dbraw/zinc/22/01/30/206220130.db2.gz	RHIHUKZRUQFNDO-OMCISZLKSA-N	-2	3	379.243	2.348	40	30		GEEBHL
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1cc([N+](=O)[O-])ccc1[O-]	ZINC000408741319	231110816	/nfs/dbraw/zinc/11/08/16/231110816.db2.gz	PBUNVILRJIYEBU-KBSHCFNASA-N	-2	3	384.373	2.067	40	30		GEEBHL
Cc1cc([O-])c2c(c1)C(=O)C(c1c(C)cc3c(c1[O-])C(=O)[C@H]1O[C@H]1C3=O)=CC2=O	ZINC000100249844	570421931	/nfs/dbraw/zinc/42/19/31/570421931.db2.gz	AVBFKEHAFCGOKT-FCHUYYIVSA-N	-2	3	390.347	2.324	40	30		GEEBHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C3(C#N)CC3)cc2)cc1	ZINC000223020942	570438001	/nfs/dbraw/zinc/43/80/01/570438001.db2.gz	MYXDZTURVVPYPG-UHFFFAOYSA-N	-2	3	391.474	2.414	40	30		GEEBHL
Cc1cc([O-])c2c(c1)C(=O)C(c1c(C)cc3c(c1[O-])C(=O)[C@@H]1O[C@@H]1C3=O)=CC2=O	ZINC000001579585	206260626	/nfs/dbraw/zinc/26/06/26/206260626.db2.gz	AVBFKEHAFCGOKT-YADHBBJMSA-N	-2	3	390.347	2.324	40	30		GEEBHL
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1[O-]	ZINC000408741543	231110858	/nfs/dbraw/zinc/11/08/58/231110858.db2.gz	QMBCSZFYVMVULJ-KBSHCFNASA-N	-2	3	384.373	2.067	40	30		GEEBHL
Cc1ccc(N2C(=O)C(=CNc3cc([N+](=O)[O-])ccc3[O-])C(=O)[N-]C2=S)cc1	ZINC000408752669	231111816	/nfs/dbraw/zinc/11/18/16/231111816.db2.gz	JDHJDHAKDDZSEY-JFPGXGMNSA-N	-2	3	398.400	2.375	40	30		GEEBHL
C=CCN1C(=O)[N-]C(=O)/C(=C\c2cc(Br)c([O-])c(OCC)c2)C1=O	ZINC000015008860	518839447	/nfs/dbraw/zinc/83/94/47/518839447.db2.gz	PYELENKDPBPURB-UXBLZVDNSA-N	-2	3	395.209	2.201	40	30		GEEBHL
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1cc([N+](=O)[O-])ccc1[O-]	ZINC000408741318	231110561	/nfs/dbraw/zinc/11/05/61/231110561.db2.gz	PBUNVILRJIYEBU-BEAUZRKQSA-N	-2	3	384.373	2.067	40	30		GEEBHL
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1[O-]	ZINC000408741541	231110313	/nfs/dbraw/zinc/11/03/13/231110313.db2.gz	QMBCSZFYVMVULJ-BEAUZRKQSA-N	-2	3	384.373	2.067	40	30		GEEBHL