smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC[N@@H+](C)CCNC(=O)C(CCCC#N)C(=O)NCC1	ZINC000068604517	374675340	/nfs/dbraw/zinc/67/53/40/374675340.db2.gz	TVJAHHPFWLXNHL-UHFFFAOYSA-N	2	2	323.441	-0.204	40	30		DBEBLP
C[NH+]1CCC[N@H+](C)CCNC(=O)C(CCCC#N)C(=O)NCC1	ZINC000068604517	374675349	/nfs/dbraw/zinc/67/53/49/374675349.db2.gz	TVJAHHPFWLXNHL-UHFFFAOYSA-N	2	2	323.441	-0.204	40	30		DBEBLP
CN1CCC[N@H+](CC(N)=O)CCN(CC#N)CCC[NH+](C)CC1	ZINC000068604851	374674649	/nfs/dbraw/zinc/67/46/49/374674649.db2.gz	VNNJFKHPLZTCKY-UHFFFAOYSA-N	2	2	324.473	-0.743	40	30		DBEBLP
CN1CCC[N@@H+](CC(N)=O)CCN(CC#N)CCC[NH+](C)CC1	ZINC000068604851	374674655	/nfs/dbraw/zinc/67/46/55/374674655.db2.gz	VNNJFKHPLZTCKY-UHFFFAOYSA-N	2	2	324.473	-0.743	40	30		DBEBLP
CN1CCC[NH+](CC(N)=O)CCN(CC#N)CCC[N@H+](C)CC1	ZINC000068604851	374674657	/nfs/dbraw/zinc/67/46/57/374674657.db2.gz	VNNJFKHPLZTCKY-UHFFFAOYSA-N	2	2	324.473	-0.743	40	30		DBEBLP
CN1CCC[NH+](CC(N)=O)CCN(CC#N)CCC[N@@H+](C)CC1	ZINC000068604851	374674663	/nfs/dbraw/zinc/67/46/63/374674663.db2.gz	VNNJFKHPLZTCKY-UHFFFAOYSA-N	2	2	324.473	-0.743	40	30		DBEBLP