smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)c1	ZINC000004732308	552473392	/nfs/dbraw/zinc/47/33/92/552473392.db2.gz	GXXBVRSISKKKBM-UHFFFAOYSA-N	0	2	509.422	4.346	10	0		KIAELN
CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)[nH+]c(N(C)C)c1CC(=O)[O-]	ZINC000006717478	561703117	/nfs/dbraw/zinc/70/31/17/561703117.db2.gz	XEOSTBFUCNZKGS-UHFFFAOYSA-N	0	2	501.509	4.098	10	0	investigational	KIAELN
O=C(Nc1ccc(I)cc1)c1cc(I)cc(I)c1O	ZINC000072108817	562721499	/nfs/dbraw/zinc/72/14/99/562721499.db2.gz	QOUSLZBAJRLUGM-UHFFFAOYSA-N	0	2	590.924	4.458	10	0		KIAELN
CC(C)(C)OC(=O)N1CC(CC(=O)[O-])([NH+]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1	ZINC000098209758	554177144	/nfs/dbraw/zinc/17/71/44/554177144.db2.gz	QMYAURCWORVLRX-UHFFFAOYSA-N	0	2	521.614	4.017	10	0		KIAELN
COc1cc(C(=O)Cc2cc([C@H]3OC[C@H]4[C@@H]3CO[C@@H]4c3ccc(O)c(OC)c3)cc(OC)c2O)ccc1O	ZINC000238750852	291840403	/nfs/dbraw/zinc/84/04/03/291840403.db2.gz	NKRVXSJMQLQTTM-UGOBFYTOSA-N	0	2	522.550	4.330	10	0		KIAELN