smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216858770	557158121	/nfs/dbraw/zinc/15/81/21/557158121.db2.gz	OBIWJEOGROKQOQ-UHFFFAOYSA-N	2	2	436.622	1.783	40	70		IDIBLP
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH+]3CCCC3)c2)CC1	ZINC000216879927	557161152	/nfs/dbraw/zinc/16/11/52/557161152.db2.gz	IMEUWSGSCXTJGU-UHFFFAOYSA-N	2	2	428.986	1.492	40	70		IDIBLP
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH+]3CCCCC3)c2)CC1	ZINC000216879417	557161161	/nfs/dbraw/zinc/16/11/61/557161161.db2.gz	UHONPTWDTDLDBS-UHFFFAOYSA-N	2	2	443.013	1.882	40	70		IDIBLP
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2Cl)CC1	ZINC000216871713	557160526	/nfs/dbraw/zinc/16/05/26/557160526.db2.gz	WMAFGKCBUXISNI-UHFFFAOYSA-N	2	2	443.013	1.882	40	70		IDIBLP
Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216858301	557158145	/nfs/dbraw/zinc/15/81/45/557158145.db2.gz	BYOZWDPBKZQYBP-UHFFFAOYSA-N	2	2	436.622	1.927	40	70		IDIBLP
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCC[NH+]1CCC(C)CC1	ZINC000216864733	557159325	/nfs/dbraw/zinc/15/93/25/557159325.db2.gz	GVEPOGISCHRNJS-UHFFFAOYSA-N	2	2	436.622	1.783	40	70		IDIBLP
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)CC1	ZINC000216887316	557162144	/nfs/dbraw/zinc/16/21/44/557162144.db2.gz	PQUPPRUXXYJNBM-UHFFFAOYSA-N	2	2	436.622	1.760	40	70		IDIBLP
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCC[NH+]1CCCCCC1	ZINC000216864367	557158894	/nfs/dbraw/zinc/15/88/94/557158894.db2.gz	IQAVCIQFRCZVLI-UHFFFAOYSA-N	2	2	436.622	1.927	40	70		IDIBLP
Cn1c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+]1CCSCC1	ZINC000217567222	557171409	/nfs/dbraw/zinc/17/14/09/557171409.db2.gz	VLRTUOMFEOVXSR-DLBZAZTESA-N	2	2	442.585	1.421	40	70		IDIBLP
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+]1CCSCC1	ZINC000217567222	557171413	/nfs/dbraw/zinc/17/14/13/557171413.db2.gz	VLRTUOMFEOVXSR-DLBZAZTESA-N	2	2	442.585	1.421	40	70		IDIBLP