smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-][C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000003028378	524897431	/nfs/dbraw/zinc/89/74/31/524897431.db2.gz	TZNUMRMBKPVVIK-IMJSIDKUSA-N	-4	0	432.220	0.706	40	30		ICEBRL
C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-][C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000003028384	569436450	/nfs/dbraw/zinc/43/64/50/569436450.db2.gz	TZNUMRMBKPVVIK-QWWZWVQMSA-N	-4	0	432.220	0.706	40	30		ICEBRL
C[C@@H]1CC(=O)[C@H](CC(=O)[O-])[C@@H]1C(=C([O-])C(=O)Nc1c(C#N)cccc1[N+](=O)[O-])[N+](=O)[O-]	ZINC000005809449	556066677	/nfs/dbraw/zinc/06/66/77/556066677.db2.gz	KEHVWXQDJICDJV-LCMJOABGSA-N	-2	0	432.345	0.935	40	30		ICEBRL
C[C@H]1CC(=O)[C@H](CC(=O)[O-])[C@@H]1C(=C([O-])C(=O)Nc1c(C#N)cccc1[N+](=O)[O-])[N+](=O)[O-]	ZINC000005809453	556066735	/nfs/dbraw/zinc/06/67/35/556066735.db2.gz	KEHVWXQDJICDJV-UHBQFPSRSA-N	-2	0	432.345	0.935	40	30		ICEBRL
C[C@@H]1CC(=O)[C@@H](CC(=O)[O-])[C@@H]1C(=C([O-])C(=O)Nc1c(C#N)cccc1[N+](=O)[O-])[N+](=O)[O-]	ZINC000005809456	556066739	/nfs/dbraw/zinc/06/67/39/556066739.db2.gz	KEHVWXQDJICDJV-QDJWCOHFSA-N	-2	0	432.345	0.935	40	30		ICEBRL
C[C@H]1CC(=O)[C@@H](CC(=O)[O-])[C@@H]1C(=C([O-])C(=O)Nc1c(C#N)cccc1[N+](=O)[O-])[N+](=O)[O-]	ZINC000005809459	556066748	/nfs/dbraw/zinc/06/67/48/556066748.db2.gz	KEHVWXQDJICDJV-TVQCNUHVSA-N	-2	0	432.345	0.935	40	30		ICEBRL
C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-][C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000098001185	557231830	/nfs/dbraw/zinc/23/18/30/557231830.db2.gz	TZNUMRMBKPVVIK-ZXZARUISSA-N	-4	0	432.220	0.706	40	30		ICEBRL
O=c1[n-][nH]c(=O)c2cccc(N=C3C(=O)[N-]C(=O)C(=O)[C@@H]3c3nc4ccccc4s3)c12	ZINC000102979593	557311245	/nfs/dbraw/zinc/31/12/45/557311245.db2.gz	WIDJFCRTFAJYBM-NJZDQMEHSA-N	-2	0	433.405	0.908	40	30		ICEBRL