smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@+]1(CCC[N+]2(C)CCOCC2)C[C@H]2[C@H](C1)[C@@H]1C=C[C@H]2CC1	ZINC000253979239	717169594	/nfs/dbraw/zinc/16/95/94/717169594.db2.gz	JMKKOXFXRSJPNL-TWHPPBISSA-N	2	0	306.494	2.142	1	5		DEBFRP
C[N+]1(CCC[N+]2(C)CCOCC2)C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2CC1	ZINC000013099037	181827862	/nfs/dbraw/zinc/82/78/62/181827862.db2.gz	JMKKOXFXRSJPNL-FYWPLVJMSA-N	2	0	306.494	2.142	1	5		DEBFRP
CCCCNc1ccc(C(=O)OCC[N+](C)(C)CCC[NH3+])cc1	ZINC000013672785	717109544	/nfs/dbraw/zinc/10/95/44/717109544.db2.gz	QXDCQICQQSQQFK-UHFFFAOYSA-O	2	0	322.473	2.481	1	5		DEBFRP
C[N+](C)(C)CCC[NH2+]C[C@H](O)COc1cccc2ccccc21	ZINC000039234986	183015629	/nfs/dbraw/zinc/01/56/29/183015629.db2.gz	KBFBTBQJHFFALX-KRWDZBQOSA-N	2	0	317.453	2.265	1	5		DEBFRP
C[N+]1(CCC[N+]2(C)CCOCC2)C[C@H]2[C@H](C1)[C@@H]1C=C[C@H]2CC1	ZINC000006202653	181319290	/nfs/dbraw/zinc/31/92/90/181319290.db2.gz	JMKKOXFXRSJPNL-NKSMOILXSA-N	2	0	306.494	2.142	1	5		DEBFRP
C[N+](C)(C)CCC[NH2+]C[C@@H](O)COc1cccc2ccccc21	ZINC000039234987	183015600	/nfs/dbraw/zinc/01/56/00/183015600.db2.gz	KBFBTBQJHFFALX-QGZVFWFLSA-N	2	0	317.453	2.265	1	5		DEBFRP