smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCC[C@@H]1C[NH+]=C(NCC(=O)N(C)C)N1CCN2C(=O)CC[C@H]2C1	ZINC000262316319	1073372851	/nfs/dbraw/zinc/37/28/51/1073372851.db2.gz	QSCPEBOAAZSKQT-CVEARBPZSA-N	1	3	378.521	-0.189	20	30		GBEDHO
CCN1CCC[C@@H]1C[NH+]=C(NCC(=O)N(C)C)N1CCN2C(=O)CC[C@@H]2C1	ZINC000262316323	1072465504	/nfs/dbraw/zinc/46/55/04/1072465504.db2.gz	QSCPEBOAAZSKQT-HZPDHXFCSA-N	1	3	378.521	-0.189	20	30		GBEDHO
N#Cc1ccc(N2CCC[N@@H+](CCO)CC2)nc1N1CCCN(CCO)CC1	ZINC000278376664	1072496094	/nfs/dbraw/zinc/49/60/94/1072496094.db2.gz	LIAVINLHVZOHND-UHFFFAOYSA-N	1	3	388.516	-0.038	20	30		GBEDHO
N#Cc1ccc(N2CCC[N@H+](CCO)CC2)nc1N1CCCN(CCO)CC1	ZINC000278376664	1072496088	/nfs/dbraw/zinc/49/60/88/1072496088.db2.gz	LIAVINLHVZOHND-UHFFFAOYSA-N	1	3	388.516	-0.038	20	30		GBEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)NC[C@@H]1CCCCO1	ZINC000304762244	638352724	/nfs/dbraw/zinc/35/27/24/638352724.db2.gz	VKXQRNSEYGVQIT-CABCVRRESA-N	1	3	375.539	-0.137	20	30		GBEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)NC[C@@H]1CCCCO1	ZINC000304762246	638352742	/nfs/dbraw/zinc/35/27/42/638352742.db2.gz	VKXQRNSEYGVQIT-GJZGRUSLSA-N	1	3	375.539	-0.137	20	30		GBEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)NC[C@H]1CCCCO1	ZINC000304762248	638352856	/nfs/dbraw/zinc/35/28/56/638352856.db2.gz	VKXQRNSEYGVQIT-HUUCEWRRSA-N	1	3	375.539	-0.137	20	30		GBEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)NC[C@H]1CCCCO1	ZINC000304762250	638352663	/nfs/dbraw/zinc/35/26/63/638352663.db2.gz	VKXQRNSEYGVQIT-LSDHHAIUSA-N	1	3	375.539	-0.137	20	30		GBEDHO
C#CCNc1nc(N2CCN3CCC2CC3)nc(N2CC[NH+]3CCC2CC3)n1	ZINC000376479762	1072994523	/nfs/dbraw/zinc/99/45/23/1072994523.db2.gz	YTRBETHWSIONHR-UHFFFAOYSA-N	1	3	382.516	-0.093	20	30		GBEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000419870650	1072218551	/nfs/dbraw/zinc/21/85/51/1072218551.db2.gz	PCGUQJZAEDLNNW-UHFFFAOYSA-N	1	3	386.500	-0.530	20	30		GBEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1	ZINC000420179389	1072262390	/nfs/dbraw/zinc/26/23/90/1072262390.db2.gz	BOPGNKPCQFUDGL-GOSISDBHSA-N	1	3	387.484	-0.057	20	30		GBEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1	ZINC000420179390	1072262262	/nfs/dbraw/zinc/26/22/62/1072262262.db2.gz	BOPGNKPCQFUDGL-SFHVURJKSA-N	1	3	387.484	-0.057	20	30		GBEDHO
C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2O)CC1	ZINC001024131269	1072663414	/nfs/dbraw/zinc/66/34/14/1072663414.db2.gz	DRKGYRFOXXRMNN-WJFTUGDTSA-N	1	3	390.528	-0.250	20	30		GBEDHO
C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2O)CC1	ZINC001024131269	1072663404	/nfs/dbraw/zinc/66/34/04/1072663404.db2.gz	DRKGYRFOXXRMNN-WJFTUGDTSA-N	1	3	390.528	-0.250	20	30		GBEDHO
C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2O)CC1	ZINC001024131863	1072663159	/nfs/dbraw/zinc/66/31/59/1072663159.db2.gz	OADRTLKCIXVSOE-VDHUWJSZSA-N	1	3	376.501	-0.640	20	30		GBEDHO
C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)CC1	ZINC001024131863	1072663156	/nfs/dbraw/zinc/66/31/56/1072663156.db2.gz	OADRTLKCIXVSOE-VDHUWJSZSA-N	1	3	376.501	-0.640	20	30		GBEDHO