smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nn1c(NN=Cc2ccc(I)cc2[O-])n[n-]c1=S	ZINC000006925801	206219992	/nfs/dbraw/zinc/21/99/92/206219992.db2.gz	PYKXCDRVAPQLJV-UUILKARUSA-N	-2	3	376.183	1.037	40	30		GDEBHL
C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(OCC)c2[O-])C(=O)[N-]C1=S	ZINC000408902320	526388602	/nfs/dbraw/zinc/38/86/02/526388602.db2.gz	MYEUGZDFFVYNDT-YRNVUSSQSA-N	-2	3	377.378	1.512	40	30		GDEBHL
C=CCc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(OC)c1OCC(=O)[O-]	ZINC000409092502	527227460	/nfs/dbraw/zinc/22/74/60/527227460.db2.gz	WMDNVCYTQQGONU-RIYZIHGNSA-N	-2	3	390.417	1.994	40	30		GDEBHL
O=c1nncc(NN=Cc2cc(Br)c([O-])c(Br)c2)[n-]1	ZINC000003946756	530534990	/nfs/dbraw/zinc/53/49/90/530534990.db2.gz	SKNYGFFFTMNAMF-QLKAYGNNSA-N	-2	3	389.007	1.842	40	30		GDEBHL
CSC(=NCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])Nc1ccccc1	ZINC000006850192	530542826	/nfs/dbraw/zinc/54/28/26/530542826.db2.gz	FFYUJPBSCOXELM-UHFFFAOYSA-N	-4	3	384.287	1.018	40	30		GDEBHL
Nn1cnnc1N=NCc1cc(Br)c([O-])c(Br)c1[O-]	ZINC000006828392	530543238	/nfs/dbraw/zinc/54/32/38/530543238.db2.gz	ODKTYXPPBOMMHC-XNJYKOPJSA-N	-2	3	392.011	1.374	40	30		GDEBHL
C=CCN1C(=O)/C(=C/c2cc(Br)c([O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000015013122	518824336	/nfs/dbraw/zinc/82/43/36/518824336.db2.gz	NMGFQMMLCYSCAY-WEVVVXLNSA-N	-2	3	397.250	1.976	40	30		GDEBHL
C=CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000005661033	212081713	/nfs/dbraw/zinc/08/17/13/212081713.db2.gz	NMGFQMMLCYSCAY-UITAMQMPSA-N	-2	3	397.250	1.976	40	30		GDEBHL