smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CNCc2ccncc2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012298767	568463189	/nfs/dbraw/zinc/46/31/89/568463189.db2.gz	BPACBUXOCZRRLS-HSZRJFAPSA-N	1	3	421.541	3.252	10	0		HGAEHO
COc1ccc(CNCc2ccncc2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1	ZINC000012298767	568463191	/nfs/dbraw/zinc/46/31/91/568463191.db2.gz	BPACBUXOCZRRLS-HSZRJFAPSA-N	1	3	421.541	3.252	10	0		HGAEHO
COc1ccc(CNCc2ccncc2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012298766	568463235	/nfs/dbraw/zinc/46/32/35/568463235.db2.gz	BPACBUXOCZRRLS-QHCPKHFHSA-N	1	3	421.541	3.252	10	0		HGAEHO
COc1ccc(CNCc2ccncc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1	ZINC000012298766	568463236	/nfs/dbraw/zinc/46/32/36/568463236.db2.gz	BPACBUXOCZRRLS-QHCPKHFHSA-N	1	3	421.541	3.252	10	0		HGAEHO
O[C@@H](COc1ccccc1C[NH2+]CCc1ccncc1)CN1CCc2ccccc2C1	ZINC000015072308	568749157	/nfs/dbraw/zinc/74/91/57/568749157.db2.gz	BXOZQOHYXGDGFR-RUZDIDTESA-N	1	3	417.553	3.212	10	0		HGAEHO
COC1CC[NH+](Cc2ccc(OC[C@H](O)CN3CCc4ccccc4C3)cc2)CC1	ZINC000019146889	568862239	/nfs/dbraw/zinc/86/22/39/568862239.db2.gz	BAIHGOMIWUQWGU-HSZRJFAPSA-N	1	3	410.558	3.095	10	0		HGAEHO
CCn1ccnc1CN(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1	ZINC000020536697	523525744	/nfs/dbraw/zinc/52/57/44/523525744.db2.gz	KEJJSGLBVAWECQ-FQEVSTJZSA-N	1	3	401.574	3.318	10	0		HGAEHO
CCn1ccnc1CN(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1	ZINC000020536695	523525423	/nfs/dbraw/zinc/52/54/23/523525423.db2.gz	KEJJSGLBVAWECQ-HXUWFJFHSA-N	1	3	401.574	3.318	10	0		HGAEHO
O[C@H](COc1ccccc1C[NH2+]CCc1ccncc1)CN1CCc2ccccc2C1	ZINC000015072311	568749176	/nfs/dbraw/zinc/74/91/76/568749176.db2.gz	BXOZQOHYXGDGFR-VWLOTQADSA-N	1	3	417.553	3.212	10	0		HGAEHO
COC1CC[NH+](Cc2ccc(OC[C@@H](O)CN3CCc4ccccc4C3)cc2)CC1	ZINC000019146885	568862184	/nfs/dbraw/zinc/86/21/84/568862184.db2.gz	BAIHGOMIWUQWGU-QHCPKHFHSA-N	1	3	410.558	3.095	10	0		HGAEHO