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+]1CCCN(CC#N)CC[N@H+](C)CCCN(CC#N)CC1	ZINC000068605149	415394783	/nfs/dbraw/zinc/39/47/83/415394783.db2.gz	KWZJZJQXXGLGHF-UHFFFAOYSA-N	2	0	306.458	0.295	40	30		DCEBRP
CN(/N=C/C=N\N(C)C1=[NH+]CCCCN1)C1=[NH+]CCCCN1	ZINC000008665446	523769186	/nfs/dbraw/zinc/76/91/86/523769186.db2.gz	BHZASUYVSUNTII-UHWBUFEVSA-N	2	0	306.418	0.300	40	30		DCEBRP
CN(/N=C\C=N/N(C)C1=[NH+]CCCCN1)C1=[NH+]CCCCN1	ZINC000017253897	395690668	/nfs/dbraw/zinc/69/06/68/395690668.db2.gz	BHZASUYVSUNTII-YZLQMOBTSA-N	2	0	306.418	0.300	40	30		DCEBRP
CC(/C=N/N(C)C1=[NH+]CCCCN1)=N/N(C)C1=[NH+]CCCCN1	ZINC000005502802	181250796	/nfs/dbraw/zinc/25/07/96/181250796.db2.gz	ZGFMHFZXWIGQJV-STLXZYOISA-N	2	0	320.445	0.691	40	30		DCEBRP
O=C(/C=N/O)NCCC[NH2+]CCC[NH2+]CCc1ccccc1	ZINC000095115841	415550282	/nfs/dbraw/zinc/55/02/82/415550282.db2.gz	BZCHMOXBKAJENC-XSFVSMFZSA-N	2	0	306.410	0.765	40	30		DCEBRP
CN1CCC[N@H+](CCS)CCN(C)CCC[NH+](C)CC1	ZINC000068606332	396060987	/nfs/dbraw/zinc/06/09/87/396060987.db2.gz	WCRRLVZPUCNTQT-UHFFFAOYSA-N	2	0	302.532	0.807	40	30		DCEBRP
CC(/C=N\N(C)C1=[NH+]CCCCN1)=N\N(C)C1=[NH+]CCCCN1	ZINC000008665625	395684770	/nfs/dbraw/zinc/68/47/70/395684770.db2.gz	ZGFMHFZXWIGQJV-AYRZQKSOSA-N	2	0	320.445	0.691	40	30		DCEBRP
C=CC[N+]1(CC(=O)OC)CC[N+](CC=C)(CC(=O)OC)CC1	ZINC000005007439	181189961	/nfs/dbraw/zinc/18/99/61/181189961.db2.gz	QXMYEXIEECVHHX-UHFFFAOYSA-N	2	0	312.410	0.352	40	30		DCEBRP
NC(=[NH2+])Nc1ccc(OC(=O)c2ccc(NC(N)=[NH2+])cc2)cc1	ZINC000006535424	181352129	/nfs/dbraw/zinc/35/21/29/181352129.db2.gz	JXJBQAMLLCEHTI-UHFFFAOYSA-N	2	0	312.333	0.716	40	30		DCEBRP
CCCN(CCN(CC#N)CCCN(C)CC[NH2+]C)C(N)=O	ZINC000068604803	415394986	/nfs/dbraw/zinc/39/49/86/415394986.db2.gz	PHWJBPHRVGFQLP-UHFFFAOYSA-N	2	0	312.462	0.144	40	30		DCEBRP
CC(/C=N\N(C)C1=[NH+]CCCCN1)=N/N(C)C1=[NH+]CCCCN1	ZINC000006006960	415134371	/nfs/dbraw/zinc/13/43/71/415134371.db2.gz	ZGFMHFZXWIGQJV-FDYZEBBJSA-N	2	0	320.445	0.691	40	30		DCEBRP
CC(/C=N/N(C)C1=[NH+]CCCCN1)=N\N(C)C1=[NH+]CCCCN1	ZINC000008665626	395684704	/nfs/dbraw/zinc/68/47/04/395684704.db2.gz	ZGFMHFZXWIGQJV-ZIOPAAQOSA-N	2	0	320.445	0.691	40	30		DCEBRP
CN(/N=C/C=N/N(C)C1=[NH+]CCCCN1)C1=[NH+]CCCCN1	ZINC000001643169	395680921	/nfs/dbraw/zinc/68/09/21/395680921.db2.gz	BHZASUYVSUNTII-AYKLPDECSA-N	2	0	306.418	0.300	40	30		DCEBRP