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(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1	ZINC000730070459	1076435616	/nfs/dbraw/zinc/43/56/16/1076435616.db2.gz	ZTVRYTIYHOSWQL-UHFFFAOYSA-N	1	3	413.566	1.924	20	30		HDEDHO
C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000535545331	1075709722	/nfs/dbraw/zinc/70/97/22/1075709722.db2.gz	JCFGFPIMGRTWRQ-QGZVFWFLSA-N	1	3	423.565	1.897	20	30		HDEDHO
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1	ZINC000611374654	1075916972	/nfs/dbraw/zinc/91/69/72/1075916972.db2.gz	NYCKDTSYNGXURF-QFIPXVFZSA-N	1	3	418.630	1.169	20	30		HDEDHO
N#Cc1c2c(cnc1N1CCN3C[C@H](OCc4cccnc4)C[C@@H]3C1)C[NH2+]CCC2	ZINC001164867708	721045352	/nfs/dbraw/zinc/04/53/52/721045352.db2.gz	JSIHXINKMSTMDH-WOJBJXKFSA-N	1	3	404.518	1.864	20	30		HDEDHO
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1	ZINC000611374653	1075916962	/nfs/dbraw/zinc/91/69/62/1075916962.db2.gz	NYCKDTSYNGXURF-JOCHJYFZSA-N	1	3	418.630	1.169	20	30		HDEDHO
N#Cc1c2c(cnc1N1CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C1)C[NH2+]CCC2	ZINC001164867704	721044782	/nfs/dbraw/zinc/04/47/82/721044782.db2.gz	JSIHXINKMSTMDH-UXHICEINSA-N	1	3	404.518	1.864	20	30		HDEDHO
N#Cc1c2c(cnc1N1CCN3C[C@H](OCc4cccnc4)C[C@H]3C1)C[NH2+]CCC2	ZINC001164867706	721045268	/nfs/dbraw/zinc/04/52/68/721045268.db2.gz	JSIHXINKMSTMDH-VQTJNVASSA-N	1	3	404.518	1.864	20	30		HDEDHO
N#Cc1c2c(cnc1N1CCN3C[C@@H](OCc4cccnc4)C[C@H]3C1)C[NH2+]CCC2	ZINC001164867702	721045375	/nfs/dbraw/zinc/04/53/75/721045375.db2.gz	JSIHXINKMSTMDH-PMACEKPBSA-N	1	3	404.518	1.864	20	30		HDEDHO
COC1CCN(CCNc2nc(NCC[NH+]3CCC(OC)CC3)ccc2C#N)CC1	ZINC000618155118	1075125017	/nfs/dbraw/zinc/12/50/17/1075125017.db2.gz	JIRYKDGAQGNRKS-UHFFFAOYSA-N	1	3	416.570	1.999	20	30		HDEDHO
C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000535545328	1075667895	/nfs/dbraw/zinc/66/78/95/1075667895.db2.gz	JCFGFPIMGRTWRQ-KRWDZBQOSA-N	1	3	423.565	1.897	20	30		HDEDHO