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)CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)C(=O)N2CCc1ccc(OC)cc1	ZINC000014531615	555819013	/nfs/dbraw/zinc/81/90/13/555819013.db2.gz	AIJFSESANKOVEC-QFIPXVFZSA-N	1	3	470.658	3.643	50	30		JHEAHO
COc1ccc(-c2csc(-c3c(O)cn(C4CC(C)(C)[NH2+]C(C)(C)C4)c3N)n2)cc1OC	ZINC000009420935	523162889	/nfs/dbraw/zinc/16/28/89/523162889.db2.gz	VGRUYVOGONCACC-UHFFFAOYSA-N	1	3	456.612	3.649	50	30		JHEAHO
COc1ccc(-c2csc(-c3c(O)cn(C4CC[NH+](Cc5ccccc5)CC4)c3N)n2)cc1	ZINC000009530646	523161438	/nfs/dbraw/zinc/16/14/38/523161438.db2.gz	MQZIEMZMETYSGG-UHFFFAOYSA-N	1	3	460.603	3.995	50	30		JHEAHO
C=C(C)CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)C(=O)N2CCc1ccc(OC)cc1	ZINC000014531616	555818950	/nfs/dbraw/zinc/81/89/50/555818950.db2.gz	AIJFSESANKOVEC-JOCHJYFZSA-N	1	3	470.658	3.643	50	30		JHEAHO
CCC[NH+]1CCN(CCCNC(=S)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)CC1	ZINC000022939348	555992693	/nfs/dbraw/zinc/99/26/93/555992693.db2.gz	ITGWHCJBHDFZBN-UHFFFAOYSA-N	1	3	497.757	3.801	50	30		JHEAHO