smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H]1CC[N+]2(C)CCC3=C(CCC3)[C@@]2(C)C1	ZINC000003066449	717095324	/nfs/dbraw/zinc/09/53/24/717095324.db2.gz	TUALWOICWDRQRR-XVMZJDAESA-N	1	0	234.407	3.896	1	5		BHBFRO
CCc1ccc2c3[nH]c4ccccc4c3cc[n+]2c1	ZINC000005688599	171850832	/nfs/dbraw/zinc/85/08/32/171850832.db2.gz	BAALMEGRQMMBJQ-UHFFFAOYSA-O	1	0	247.321	3.622	1	5		BHBFRO
CC[C@@H]1CC[N+]2(C)CCC3=C(CCC3)[C@@]2(C)C1	ZINC000013477681	171060352	/nfs/dbraw/zinc/06/03/52/171060352.db2.gz	TUALWOICWDRQRR-ZIAVVELASA-N	1	0	234.407	3.896	1	5		BHBFRO
C[N+]12C=C(c3cc4ccccc4o3)C(CC1)CC2	ZINC000013740332	717109197	/nfs/dbraw/zinc/10/91/97/717109197.db2.gz	BJUQLFXRXSMDCM-UHFFFAOYSA-N	1	0	240.326	3.644	1	5		BHBFRO
C[NH+](C)/C=C/c1cccc2nc3ccccc3cc12	ZINC000028384934	172351382	/nfs/dbraw/zinc/35/13/82/172351382.db2.gz	MLYMOGHZCLHDJA-ZHACJKMWSA-N	1	0	248.329	3.920	1	5		BHBFRO
Cc1cc2c3ccccc3[nH]c2c2c[n+](C)ccc12	ZINC000029464350	178294923	/nfs/dbraw/zinc/29/49/23/178294923.db2.gz	DJMIWAXPICGSRW-UHFFFAOYSA-O	1	0	247.321	3.607	1	5		BHBFRO
CC(C)c1cc([N+](C)(C)C)cc(C(C)C)c1O	ZINC000029544462	167578963	/nfs/dbraw/zinc/57/89/63/167578963.db2.gz	KIAUUISRODLZII-UHFFFAOYSA-O	1	0	236.379	3.836	1	5		BHBFRO
CC1=C[C@@H](C)[C@@H](C[N+]2(C)CCCCC2)[C@@H](C)C1	ZINC000169313093	168124879	/nfs/dbraw/zinc/12/48/79/168124879.db2.gz	AVQDCQVAUHGUCI-OWCLPIDISA-N	1	0	236.423	3.855	1	5		BHBFRO
CC[N+]1(CC)CCC(=Cc2ccccc2)CC1	ZINC000653788918	717188005	/nfs/dbraw/zinc/18/80/05/717188005.db2.gz	BQYTYPCNRLLANT-UHFFFAOYSA-N	1	0	230.375	3.720	1	5		BHBFRO