smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC#CCC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1	ZINC000155098555	337383328	/nfs/dbraw/zinc/38/33/28/337383328.db2.gz	JYBOHHGDMYJZRM-UHFFFAOYSA-N	2	2	314.455	-0.490	50	30		DBEALP
C#CC[NH+]1CCN(c2nccnc2N2CC[NH+](CC#C)CC2)CC1	ZINC000097379700	374290740	/nfs/dbraw/zinc/29/07/40/374290740.db2.gz	HWRKTEZHAFAEPF-UHFFFAOYSA-N	2	2	324.432	-0.013	50	30		DBEALP
C=C1[C@H](C(=O)N2CC[NH+](C)CC2)[C@H]1C(=O)N1CC[NH+](C)CC1	ZINC000021487195	182274823	/nfs/dbraw/zinc/27/48/23/182274823.db2.gz	CIELTRCVOPNZFB-KBPBESRZSA-N	2	2	306.410	-0.663	50	30		DBEALP
C=C1[C@H](C(=O)N2CC[NH+](C)CC2)[C@@H]1C(=O)N1CC[NH+](C)CC1	ZINC000013152686	382571878	/nfs/dbraw/zinc/57/18/78/382571878.db2.gz	CIELTRCVOPNZFB-OKILXGFUSA-N	2	2	306.410	-0.663	50	30		DBEALP
C=C1[C@@H](C(=O)N2CC[NH+](C)CC2)[C@@H]1C(=O)N1CC[NH+](C)CC1	ZINC000021487196	182275043	/nfs/dbraw/zinc/27/50/43/182275043.db2.gz	CIELTRCVOPNZFB-ZIAGYGMSSA-N	2	2	306.410	-0.663	50	30		DBEALP
C=CCNC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1	ZINC001529100015	1014517305	/nfs/dbraw/zinc/51/73/05/1014517305.db2.gz	MGTODCUFQMHIST-HNNXBMFYSA-N	2	2	324.469	-0.249	50	30		DBEALP
C=CCNC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1	ZINC001529100016	1014516087	/nfs/dbraw/zinc/51/60/87/1014516087.db2.gz	MGTODCUFQMHIST-OAHLLOKOSA-N	2	2	324.469	-0.249	50	30		DBEALP