smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](C)(CC)CCNC(=O)C(=O)Nc1ccc(NC(=O)C(=O)NCC[N+](C)(CC)CC)cc1	ZINC000009144783	554936605	/nfs/dbraw/zinc/93/66/05/554936605.db2.gz	LVLILPMUSYYLJZ-UHFFFAOYSA-P	2	0	478.638	0.769	50	5		JCBARP
OC[C@H]1CC[N+]2(CCOc3cccc(OCC[N+]45CC[C@@H](O)[C@H]4[C@@H](CO)CC5)c3)CC[C@@H](O)[C@@H]12	ZINC000038522297	527619427	/nfs/dbraw/zinc/61/94/27/527619427.db2.gz	WIRNWOQFWZZVOG-AEVFPVIXSA-N	2	0	478.630	0.369	50	5		JCBARP
OC[C@@H]1CC[N+]2(CCOc3cccc(OCC[N+]45CC[C@@H](O)[C@H]4[C@@H](CO)CC5)c3)CC[C@@H](O)[C@@H]12	ZINC000038522299	569802400	/nfs/dbraw/zinc/80/24/00/569802400.db2.gz	WIRNWOQFWZZVOG-ZTEFQBNESA-N	2	0	478.630	0.369	50	5		JCBARP
OC[C@@H]1CC[N@+]2(CCOc3cccc(OCC[N@@+]45CC[C@@H](CO)[C@H]4[C@@H](O)CC5)c3)CC[C@@H](O)[C@@H]12	ZINC000242701661	570054031	/nfs/dbraw/zinc/05/40/31/570054031.db2.gz	WIRNWOQFWZZVOG-BMFBYTJZSA-N	2	0	478.630	0.369	50	5		JCBARP
OC[C@@H]1CC[N@+]2(CCOc3cccc(OCC[N@@+]45CC[C@@H](CO)[C@H]4[C@@H](O)CC5)c3)CC[C@@H](O)[C@H]12	ZINC000242701662	570054033	/nfs/dbraw/zinc/05/40/33/570054033.db2.gz	WIRNWOQFWZZVOG-DFJNCNLSSA-N	2	0	478.630	0.369	50	5		JCBARP
OC[C@@H]1CC[N@+]2(CCOc3cccc(OCC[N@@+]45CC[C@@H](CO)[C@H]4[C@@H](O)CC5)c3)CC[C@H](O)[C@@H]12	ZINC000242701663	570054068	/nfs/dbraw/zinc/05/40/68/570054068.db2.gz	WIRNWOQFWZZVOG-SZNODFNBSA-N	2	0	478.630	0.369	50	5		JCBARP
OC[C@@H]1CC[N@+]2(CCOc3cccc(OCC[N@@+]45CC[C@@H](CO)[C@H]4[C@@H](O)CC5)c3)CC[C@H](O)[C@H]12	ZINC000242701664	570054045	/nfs/dbraw/zinc/05/40/45/570054045.db2.gz	WIRNWOQFWZZVOG-UCVMGTLGSA-N	2	0	478.630	0.369	50	5		JCBARP
CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(CC[N+](C)(C)CC)C(=O)[C@@H]12	ZINC000247657237	570068645	/nfs/dbraw/zinc/06/86/45/570068645.db2.gz	PWNGIADIHAZWHA-MMPLWAHZSA-N	2	0	472.630	0.443	50	5		JCBARP
CC[N+](C)(C)CCN1C(=O)[C@@H]2[C@H]3[C@@H]([C@@H]2C1=O)[C@H]1C=C[C@@H]3[C@H]2C(=O)N(CC[N+](C)(C)CC)C(=O)[C@H]21	ZINC000247657239	570068652	/nfs/dbraw/zinc/06/86/52/570068652.db2.gz	PWNGIADIHAZWHA-QSWMWHTMSA-N	2	0	472.630	0.443	50	5		JCBARP
CC[N+](C)(C)CCN1C(=O)[C@H]2[C@H]3[C@@H]([C@@H]2C1=O)[C@H]1C=C[C@@H]3[C@H]2C(=O)N(CC[N+](C)(C)CC)C(=O)[C@H]21	ZINC000247657242	570068673	/nfs/dbraw/zinc/06/86/73/570068673.db2.gz	PWNGIADIHAZWHA-UROPGOJKSA-N	2	0	472.630	0.443	50	5		JCBARP