smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCCCNC(=O)CC1CCN(C)CC1	ZINC000216895069	170376065	/nfs/dbraw/zinc/37/60/65/170376065.db2.gz	KEDMNKXNVKIOOB-UHFFFAOYSA-N	0	3	242.363	1.261	40	70		BDIBHN
COc1c(F)c(F)cc(C(=N)N)c1F	ZINC000217375104	385881033	/nfs/dbraw/zinc/88/10/33/385881033.db2.gz	KNUDMBGGVNOWOB-UHFFFAOYSA-N	0	3	204.151	1.397	40	70		BDIBHN
CN1CCC(C(=O)N2CCCC(C)(C)C2)CC1	ZINC000216922639	188179537	/nfs/dbraw/zinc/17/95/37/188179537.db2.gz	ARGXXHBIXOKKTE-UHFFFAOYSA-N	0	3	238.375	1.977	40	70		BDIBHN
CCC(C)(C)NC(=O)[C@@H]1CCCN(C)C1	ZINC000216917596	168293820	/nfs/dbraw/zinc/29/38/20/168293820.db2.gz	IVQXOYUZGMIQMC-SNVBAGLBSA-N	0	3	212.337	1.633	40	70		BDIBHN
CCC(C)(C)NC(=O)[C@H]1CCCN(C)C1	ZINC000216917615	168295592	/nfs/dbraw/zinc/29/55/92/168295592.db2.gz	IVQXOYUZGMIQMC-JTQLQIEISA-N	0	3	212.337	1.633	40	70		BDIBHN
Cc1nn(CCN(C)C)c(C)c1NC1=NCCC1	ZINC000217804662	180387890	/nfs/dbraw/zinc/38/78/90/180387890.db2.gz	SPMWAJNGTHNPAP-UHFFFAOYSA-N	0	3	249.362	1.666	40	70		BDIBHN
CN1CCC(C(=O)Nc2cccnc2)CC1	ZINC000216919821	385875421	/nfs/dbraw/zinc/87/54/21/385875421.db2.gz	GDTATVRFFIJLAI-UHFFFAOYSA-N	0	3	219.288	1.362	40	70		BDIBHN
CCC(C)(C)NC(=O)C1CCN(C)CC1	ZINC000216924017	168288232	/nfs/dbraw/zinc/28/82/32/168288232.db2.gz	VLKDEEZELVWXPY-UHFFFAOYSA-N	0	3	212.337	1.633	40	70		BDIBHN
CN1CCC(CC(=O)Nc2cccnc2)CC1	ZINC000216893221	385875209	/nfs/dbraw/zinc/87/52/09/385875209.db2.gz	GAOBVJVRRUTSRQ-UHFFFAOYSA-N	0	3	233.315	1.752	40	70		BDIBHN
CN(C)CCn1cc(NC2=NCCC2)cn1	ZINC000217803148	388382134	/nfs/dbraw/zinc/38/21/34/388382134.db2.gz	SPRSOYRHTUKSOT-UHFFFAOYSA-N	0	3	221.308	1.049	40	70		BDIBHN