smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21	ZINC001185548737	1068987137	/nfs/dbraw/zinc/98/71/37/1068987137.db2.gz	PFFIKYHRYMFSRH-MRVPVSSYSA-N	-1	2	472.387	0.651	20	10		JCCDLM
O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21	ZINC001185548741	1068986933	/nfs/dbraw/zinc/98/69/33/1068986933.db2.gz	PFFIKYHRYMFSRH-QMMMGPOBSA-N	-1	2	472.387	0.651	20	10		JCCDLM
O=C(NCCNC(=O)C(F)(F)Br)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21	ZINC001185559024	1068992027	/nfs/dbraw/zinc/99/20/27/1068992027.db2.gz	VCGONUONJQBWCP-RXMQYKEDSA-N	-1	2	491.197	0.800	20	10		JCCDLM
O=C(NCCNC(=O)C(F)(F)Br)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21	ZINC001185559031	1068991534	/nfs/dbraw/zinc/99/15/34/1068991534.db2.gz	VCGONUONJQBWCP-YFKPBYRVSA-N	-1	2	491.197	0.800	20	10		JCCDLM
COC(=O)c1cc(C(=O)Nc2c(O)c(S(=O)(=O)[O-])c(O)c3c2C(=O)c2ccccc2C3=O)n[nH]1	ZINC001194288869	1069535858	/nfs/dbraw/zinc/53/58/58/1069535858.db2.gz	PLJJBFYQCSNTTP-UHFFFAOYSA-N	-1	2	487.402	0.882	20	10		JCCDLM
COC(=O)c1cc(C(=O)Nc2c(O)c(S(=O)(=O)[O-])c(O)c3c2C(=O)c2ccccc2C3=O)[nH]n1	ZINC001194288869	1069535855	/nfs/dbraw/zinc/53/58/55/1069535855.db2.gz	PLJJBFYQCSNTTP-UHFFFAOYSA-N	-1	2	487.402	0.882	20	10		JCCDLM
O=C(Nc1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1snnc1CO	ZINC001196361581	1069639074	/nfs/dbraw/zinc/63/90/74/1069639074.db2.gz	GZZRDZOEXFLZRA-UHFFFAOYSA-N	-1	2	477.432	0.716	20	10		JCCDLM
COC(=O)CCCS(=O)(=O)Nc1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O	ZINC001201914682	1069925407	/nfs/dbraw/zinc/92/54/07/1069925407.db2.gz	LDNYUVYJGNKVDH-UHFFFAOYSA-N	-1	2	499.475	0.815	20	10		JCCDLM