smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)C[NH+]1CCC(CNCC(=O)NCCC#N)CC1	ZINC000071870993	372766870	/nfs/dbraw/zinc/76/68/70/372766870.db2.gz	OWUHNABZMLOYHG-GFCCVEGCSA-N	1	3	282.388	-0.301	50	30		CBEAHO
COCCOCCCNC1=[NH+]CCN1C1=NCCN1	ZINC000096027920	523987952	/nfs/dbraw/zinc/98/79/52/523987952.db2.gz	HRNVAVQJCKZXLF-UHFFFAOYSA-N	1	3	269.349	-0.740	50	30		CBEAHO
C=CCNC(=O)[C@@H](C)[NH2+]CC1CCN(CCO)CC1	ZINC000071870941	372766922	/nfs/dbraw/zinc/76/69/22/372766922.db2.gz	WOHPNTZRAFLWRK-GFCCVEGCSA-N	1	3	269.389	-0.029	50	30		CBEAHO
C=CCNC(=O)C[NH2+]CC1CCN(CCO)CC1	ZINC000075602786	351668048	/nfs/dbraw/zinc/66/80/48/351668048.db2.gz	ZXBMWHZEKBCTSQ-UHFFFAOYSA-N	1	3	255.362	-0.418	50	30		CBEAHO
C=CCNC(=O)CNCC1CC[NH+](CCO)CC1	ZINC000075602786	351668051	/nfs/dbraw/zinc/66/80/51/351668051.db2.gz	ZXBMWHZEKBCTSQ-UHFFFAOYSA-N	1	3	255.362	-0.418	50	30		CBEAHO
C[NH+](C)CCCNCCC[NH2+]CCCNC(=O)/C=N/[O-]	ZINC000095115847	351768339	/nfs/dbraw/zinc/76/83/39/351768339.db2.gz	QHQKUPYSIJPWQD-SFQUDFHCSA-N	1	3	287.408	-0.526	50	30		CBEAHO
C=CCNC(=O)[C@H](C)[NH2+]CC1CCN(CCO)CC1	ZINC000071870940	372766689	/nfs/dbraw/zinc/76/66/89/372766689.db2.gz	WOHPNTZRAFLWRK-LBPRGKRZSA-N	1	3	269.389	-0.029	50	30		CBEAHO
C[C@H](O)C[NH+]1CCC(CNCC(=O)NCCC#N)CC1	ZINC000071870992	372767379	/nfs/dbraw/zinc/76/73/79/372767379.db2.gz	OWUHNABZMLOYHG-LBPRGKRZSA-N	1	3	282.388	-0.301	50	30		CBEAHO
CN(CCC[NH2+]CCCNC(=O)/C=N/[O-])CC[NH+](C)C	ZINC000575442862	354935920	/nfs/dbraw/zinc/93/59/20/354935920.db2.gz	HAGASSMMUREROQ-FOWTUZBSSA-N	1	3	287.408	-0.574	50	30		CBEAHO