smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H]1[C@H](Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000001677555	194131064	/nfs/dbraw/zinc/13/10/64/194131064.db2.gz	CVPYGJSGINDVOV-MVBLQPKNSA-N	0	2	481.531	-0.750	40	0		JBABLN
O=C(Nn1c(=O)c2cc3c(cc2c1=O)c(=O)n(NC(=O)c1cccnc1)c3=O)c1cccnc1	ZINC000003144061	194231629	/nfs/dbraw/zinc/23/16/29/194231629.db2.gz	YYTHJYFBGJFMBF-UHFFFAOYSA-N	0	2	456.374	-0.530	40	0		JBABLN
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1	ZINC000004522257	194391617	/nfs/dbraw/zinc/39/16/17/194391617.db2.gz	CVPYGJSGINDVOV-VRCPBSEVSA-N	0	2	481.531	-0.750	40	0		JBABLN
CC(=O)N[C@H]1[C@H](Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004522258	194391553	/nfs/dbraw/zinc/39/15/53/194391553.db2.gz	CVPYGJSGINDVOV-FAJAVTLNSA-N	0	2	481.531	-0.750	40	0		JBABLN
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1	ZINC000004522259	194391649	/nfs/dbraw/zinc/39/16/49/194391649.db2.gz	CVPYGJSGINDVOV-UVBQOVKKSA-N	0	2	481.531	-0.750	40	0		JBABLN
COC(=O)CC(=Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1)C(=O)NCCO	ZINC000012322096	555952094	/nfs/dbraw/zinc/95/20/94/555952094.db2.gz	UZRWEAWGSYVCGS-UVTDQMKNSA-N	0	2	481.487	-0.128	40	0		JBABLN
NS(=O)(=O)c1nnc(NC(=O)c2ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)s1	ZINC000016401098	556138043	/nfs/dbraw/zinc/13/80/43/556138043.db2.gz	JSAMDBPJHBIKBE-UHFFFAOYSA-N	0	2	490.530	-0.811	40	0		JBABLN
Nc1nnc2nc(C(C(=O)c3ccccc3Cl)c3nc4nnc(N)n4[nH]c3=O)c(=O)[nH]n12	ZINC000016952645	556183886	/nfs/dbraw/zinc/18/38/86/556183886.db2.gz	GBHLWOWKHNDSEW-UHFFFAOYSA-N	0	2	454.798	-0.404	40	0		JBABLN