smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCC2(C=C(c3ccccc3)NC(=O)C2C#N)CC1	ZINC000019624369	276152420	/nfs/dbraw/zinc/15/24/20/276152420.db2.gz	OMWMQCSDXFJNES-OAHLLOKOSA-N	1	3	295.386	2.399	40	30		CEEBHO
CCN(CC)C(=[NH2+])NC(=N)Nc1ccc(Cl)cc1	ZINC000005561417	170114061	/nfs/dbraw/zinc/11/40/61/170114061.db2.gz	BBPAXKLEQHXWCH-UHFFFAOYSA-N	1	3	267.764	2.152	40	30		CEEBHO
CN(C)CCC(C#N)(CC[NH+](C)C)c1ccccc1	ZINC000001675355	361216664	/nfs/dbraw/zinc/21/66/64/361216664.db2.gz	LIESQWIGGCWDMF-UHFFFAOYSA-N	1	3	259.397	2.351	40	30		CEEBHO
N=C(N)NC(=[NH2+])Nc1cc2ccccc2c2ccccc12	ZINC000006583961	170215652	/nfs/dbraw/zinc/21/56/52/170215652.db2.gz	FTPZXGWEJWEUOK-UHFFFAOYSA-N	1	3	277.331	2.213	40	30		CEEBHO
N=C(N)NC(=[NH2+])Nc1ccc2c(ccc(Cl)c2Cl)c1	ZINC000006525026	170209996	/nfs/dbraw/zinc/20/99/96/170209996.db2.gz	OKCLSMCTKZSRMH-UHFFFAOYSA-N	1	3	296.161	2.366	40	30		CEEBHO
CC(C)(CCC(C)(C)NCCC#N)NCCC#N	ZINC000001731317	361219820	/nfs/dbraw/zinc/21/98/20/361219820.db2.gz	JLJFSHQJYFUVBI-UHFFFAOYSA-N	1	3	250.390	2.330	40	30		CEEBHO
CC(C)(CCC(C)(C)[NH2+]CCC#N)NCCC#N	ZINC000001731317	361219824	/nfs/dbraw/zinc/21/98/24/361219824.db2.gz	JLJFSHQJYFUVBI-UHFFFAOYSA-N	1	3	250.390	2.330	40	30		CEEBHO
CC[NH+]1CCC2(C=C(c3ccccc3)NC(=O)C2C#N)CC1	ZINC000019624363	276152497	/nfs/dbraw/zinc/15/24/97/276152497.db2.gz	OMWMQCSDXFJNES-HNNXBMFYSA-N	1	3	295.386	2.399	40	30		CEEBHO