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@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000096220987	860812527	/nfs/dbraw/zinc/81/25/27/860812527.db2.gz	IRUQVQMZOFHXQJ-QHCPKHFHSA-N	2	0	375.516	3.814	40	30		GHEBRP
CC[NH+](CC)CCN(/C(=[NH+]\c1ccccc1)N1CCOCC1)c1ccccc1	ZINC000017255442	520639757	/nfs/dbraw/zinc/63/97/57/520639757.db2.gz	WYQMAWCVLYTLKL-VHXPQNKSSA-N	2	0	380.536	3.855	40	30		GHEBRP
CC[NH+](CC)CCN(/C(=[NH+]/c1ccccc1)N1CCOCC1)c1ccccc1	ZINC000005499375	570443034	/nfs/dbraw/zinc/44/30/34/570443034.db2.gz	WYQMAWCVLYTLKL-WCWDXBQESA-N	2	0	380.536	3.855	40	30		GHEBRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000096220985	211319572	/nfs/dbraw/zinc/31/95/72/211319572.db2.gz	IRUQVQMZOFHXQJ-HSZRJFAPSA-N	2	0	375.516	3.814	40	30		GHEBRP
O=C(C[n+]1ccccc1)c1ccc(-c2ccc(C(=O)C[n+]3ccccc3)cc2)cc1	ZINC000001665816	570266697	/nfs/dbraw/zinc/26/66/97/570266697.db2.gz	FVCGQIIAZWRYGC-UHFFFAOYSA-N	2	0	394.474	3.694	40	30		GHEBRP