smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=S)[nH]c(N=Cc2ccccc2)c1N=Cc1ccccc1	ZINC000301054851	564026686	/nfs/dbraw/zinc/02/66/86/564026686.db2.gz	NEEVCWPRIZJJRJ-UHFFFAOYSA-N	-1	1	334.404	4.346	10	30		EIEEMM
CCCCNc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1F	ZINC000211493898	241081469	/nfs/dbraw/zinc/08/14/69/241081469.db2.gz	HCJGYSNFBZHHAJ-UHFFFAOYSA-N	-1	1	333.247	4.350	10	30		EIEEMM
Cc1n[n-]c(=S)n1N=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000097991835	219065868	/nfs/dbraw/zinc/06/58/68/219065868.db2.gz	RZLSBKGHWBBXGT-GRSHGNNSSA-N	-1	1	346.500	4.432	10	30		EIEEMM
Cc1cc([O-])cc2c1C(=O)/C(=C/c1c(F)c(F)c(F)c(F)c1F)O2	ZINC000094993332	218272112	/nfs/dbraw/zinc/27/21/12/218272112.db2.gz	AYXOJWYMFSOHJR-WTKPLQERSA-N	-1	1	342.219	4.012	10	30		EIEEMM
Cc1cc([N+](=O)[O-])ccc1/N=C\c1cc(Br)ccc1[O-]	ZINC000100103554	219091573	/nfs/dbraw/zinc/09/15/73/219091573.db2.gz	DFRQKHVTDLUODS-PXNMLYILSA-N	-1	1	335.157	4.122	10	30		EIEEMM
[O-]/N=C1/CCc2c1cccc2OCc1sccc1Br	ZINC000103914085	219328628	/nfs/dbraw/zinc/32/86/28/219328628.db2.gz	QRRNRSUKTDLIBC-VBKFSLOCSA-N	-1	1	338.226	4.214	10	30		EIEEMM
O=[N+]([O-])c1ccc([O-])c(/N=C\c2cc(Cl)cc(Cl)c2O)c1	ZINC000020458974	212133014	/nfs/dbraw/zinc/13/30/14/212133014.db2.gz	LSPGIZYBWAWNPY-SOFYXZRVSA-N	-1	1	327.123	4.063	10	30		EIEEMM
Cc1cc(C)c(CSc2nnc(NN=Cc3ccco3)[n-]2)c(C)c1	ZINC000006255216	563562757	/nfs/dbraw/zinc/56/27/57/563562757.db2.gz	VCFLZYVSOVAFHQ-GIJQJNRQSA-N	-1	1	341.440	4.061	10	30		EIEEMM
O=C1c2ccc([O-])c(O)c2O/C1=C\c1ccc(-c2ccccc2)cc1	ZINC000072238400	216078010	/nfs/dbraw/zinc/07/80/10/216078010.db2.gz	IOIMJMQPWAPIBE-PDGQHHTCSA-N	-1	1	330.339	4.381	10	30		EIEEMM
CCCCCCCCCCCC[N@@H+](CCC(=O)[O-])[C@@H](C)C(=O)[O-]	ZINC000100049961	219089273	/nfs/dbraw/zinc/08/92/73/219089273.db2.gz	QTQUSLWUOWTNQY-INIZCTEOSA-N	-1	1	329.481	4.157	10	30		EIEEMM
CC(C)NC(=CC([O-])(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000004243236	519387603	/nfs/dbraw/zinc/38/76/03/519387603.db2.gz	AENNWZZWTXDINQ-SRZZPIQSSA-N	-1	1	327.268	4.130	10	30		EIEEMM
CCCCOc1ccccc1NC(=CC(=O)c1ccccc1)C(=O)[O-]	ZINC000033701290	520911664	/nfs/dbraw/zinc/91/16/64/520911664.db2.gz	AGNRHEPBUZHTHI-VKAVYKQESA-N	-1	1	339.391	4.129	10	30		EIEEMM