smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnc([C@@H](C)NC(=O)Cc2nn3c(nc(C)cc3=O)[nH]2)[nH]1	ZINC000217169918	376579419	/nfs/dbraw/zinc/57/94/19/376579419.db2.gz	MBPVDBBXQXHHHF-SSDOTTSWSA-N	0	2	316.325	-0.015	50	70		DBIALN
O=C(CN1CCOC1=O)N1CCCO[C@H](Cn2cccn2)C1	ZINC000217203468	201511127	/nfs/dbraw/zinc/51/11/27/201511127.db2.gz	GQWSBITUWGJFIQ-LBPRGKRZSA-N	0	2	308.338	-0.047	50	70		DBIALN
Cc1nnc([C@H](C)NC(=O)Cc2nn3c(nc(C)cc3=O)[nH]2)[nH]1	ZINC000217169925	376580306	/nfs/dbraw/zinc/58/03/06/376580306.db2.gz	MBPVDBBXQXHHHF-ZETCQYMHSA-N	0	2	316.325	-0.015	50	70		DBIALN
O=C(CCc1n[nH]c(=O)[nH]c1=O)NCc1nc2ccccc2[nH]1	ZINC000218500715	376607505	/nfs/dbraw/zinc/60/75/05/376607505.db2.gz	NOCLKYBJKZACKN-UHFFFAOYSA-N	0	2	314.305	-0.004	50	70		DBIALN
O=c1cc(CN2CCn3nc(CO)cc3C2)nc2[nH]cnn21	ZINC000217052565	376578513	/nfs/dbraw/zinc/57/85/13/376578513.db2.gz	FJCKUCRNJJBNPO-UHFFFAOYSA-N	0	2	301.310	-0.878	50	70		DBIALN