smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N+](C)(C)Cc1ccccc1	5310248	571838281	/nfs/dbraw/zinc/83/82/81/571838281.db2.gz	BOVNVPQGEJYOTR-UHFFFAOYSA-N	1	0	192.326	3.063	10	5		AGBERO
CC[N+](CC)(CC)C/C=C(\C)Cl	3172725	167713645	/nfs/dbraw/zinc/71/36/45/167713645.db2.gz	DODLBAVFMRQPDY-CSKARUKUSA-N	1	0	190.738	3.006	10	5		AGBERO
C[C@@H]1CC2(CCCC[N+]2(C)C)C[C@H]1C	3667974	171009317	/nfs/dbraw/zinc/00/93/17/171009317.db2.gz	XBMBIXPMTSFVEF-VXGBXAGGSA-N	1	0	196.358	3.052	10	5		AGBERO
Cc1cc([N+](=O)[O-])c(Cl)cc1[N+]#N	132412103	343898446	/nfs/dbraw/zinc/89/84/46/343898446.db2.gz	PIJRBRCWDXBAKC-UHFFFAOYSA-N	1	0	198.589	3.041	10	5		AGBERO
CCCC[N+](CC)(CC)CCCC	1999078	717092021	/nfs/dbraw/zinc/09/20/21/717092021.db2.gz	CDJLHQRURPECEZ-UHFFFAOYSA-N	1	0	186.363	3.443	10	5		AGBERO
CCCC[N+]1(CCC)CCCCC1	5951806	717102491	/nfs/dbraw/zinc/10/24/91/717102491.db2.gz	SWSKIIOYEBKVTM-UHFFFAOYSA-N	1	0	184.347	3.197	10	5		AGBERO
CCCCC[N+](CC)(CC)CC	5821070	717101645	/nfs/dbraw/zinc/10/16/45/717101645.db2.gz	NFRBUOMQJKUACC-UHFFFAOYSA-N	1	0	172.336	3.053	10	5		AGBERO