smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408532689	555744367	/nfs/dbraw/zinc/74/43/67/555744367.db2.gz	VGLHECSPVMTCRO-NVNXTCNLSA-N	-2	1	435.910	4.115	40	10		IICBML
Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c([O-])c(Br)c2C)cc1	ZINC000016779902	556641363	/nfs/dbraw/zinc/64/13/63/556641363.db2.gz	NQIPOTRBMNFVTL-UHFFFAOYSA-N	-2	1	435.137	4.335	40	10		IICBML
O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc([O-])c(Cl)c1	ZINC000408934183	556895200	/nfs/dbraw/zinc/89/52/00/556895200.db2.gz	CTHWZYDNQCNQEG-YHYXMXQVSA-N	-2	1	445.180	4.384	40	10		IICBML
Cc1cc([N-]S(=O)(=O)c2ccccc2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000026786843	557248799	/nfs/dbraw/zinc/24/87/99/557248799.db2.gz	PNKUIVAXEOXWFJ-UHFFFAOYSA-N	-2	1	445.562	4.458	40	10		IICBML
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S	ZINC000021193561	527578915	/nfs/dbraw/zinc/57/89/15/527578915.db2.gz	VQPKIFNQQYRUJU-UKTHLTGXSA-N	-2	1	430.345	4.001	40	10		IICBML
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000408526611	555715735	/nfs/dbraw/zinc/71/57/35/555715735.db2.gz	BSSFXVRWJSVRCX-YBEGLDIGSA-N	-2	1	428.286	4.483	40	10		IICBML