smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(NCc3ccccc3-n3cccn3)c21	ZINC001158116588	1072913052	/nfs/dbraw/zinc/91/30/52/1072913052.db2.gz	HNWBAUXILFYMFT-UHFFFAOYSA-N	0	3	500.002	5.195	20	0		KKADHN
CN1CCC(CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)(c2nc(-c3ccccc3)cs2)CC1	ZINC000098209245	1069694892	/nfs/dbraw/zinc/69/48/92/1069694892.db2.gz	BQFISAUAZNJOEG-UHFFFAOYSA-N	0	3	527.572	5.272	20	0	in-vitro	KKADHN
CC(C)n1nc(CN(c2nccs2)c2cnc(Cl)nc2Oc2ccc(F)cc2)c2c1CNCC2	ZINC001165642488	1072913893	/nfs/dbraw/zinc/91/38/93/1072913893.db2.gz	XAVKLTCUEPRUJV-UHFFFAOYSA-N	0	3	500.003	5.279	20	0		KKADHN
CCN1CCN(c2ccc(NC(=O)c3ccccc3SCC(=O)N(C)C3CCCCC3)c(C)c2)CC1	ZINC000514294229	1071088836	/nfs/dbraw/zinc/08/88/36/1071088836.db2.gz	YDHJVBGUNSDEIL-UHFFFAOYSA-N	0	3	508.732	5.272	20	0		KKADHN
CC(C)n1nc(CN(c2nccs2)c2cc(F)ccc2Oc2ccc(Cl)nn2)c2c1CNCC2	ZINC001165642089	1072914029	/nfs/dbraw/zinc/91/40/29/1072914029.db2.gz	RSEFNEUZUOAALP-UHFFFAOYSA-N	0	3	500.003	5.279	20	0		KKADHN
CC(C)n1nc(CN(c2nccs2)c2cnc(Cl)nc2Oc2cccc(F)c2)c2c1CNCC2	ZINC001165644485	1072914109	/nfs/dbraw/zinc/91/41/09/1072914109.db2.gz	KNBFZKMBZQAIIF-UHFFFAOYSA-N	0	3	500.003	5.279	20	0		KKADHN
CC(C)n1nc(CN(c2nccs2)c2cnc(Cl)nc2Oc2ccccc2F)c2c1CNCC2	ZINC001165644159	1072914186	/nfs/dbraw/zinc/91/41/86/1072914186.db2.gz	DIOQMNJMUYBWFM-UHFFFAOYSA-N	0	3	500.003	5.279	20	0		KKADHN