smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC[N+](C)(C)CCOCC[N+](CC)(CC)CCCCCC	ZINC000005512622	717100510	/nfs/dbraw/zinc/10/05/10/717100510.db2.gz	GQEFPVPDDCHRGL-UHFFFAOYSA-N	2	0	358.655	5.097	10	5		FKBERP
CCCC[N+]1(CCCCC[N+]2(CCCC)CCCCC2)CCCCC1	ZINC000005554704	717100088	/nfs/dbraw/zinc/10/00/88/717100088.db2.gz	WDMGZKNFUNHUNP-UHFFFAOYSA-N	2	0	352.651	5.758	10	5		FKBERP
CC[C@@H](c1ccc([N+](C)(C)C)cc1)[C@@H](CC)c1ccc([N+](C)(C)C)cc1	ZINC000005651166	717100356	/nfs/dbraw/zinc/10/03/56/717100356.db2.gz	LUDGPHGYGLFGBB-ZEQRLZLVSA-N	2	0	354.582	5.767	10	5		FKBERP
CC[C@@H](c1ccc([N+](C)(C)C)cc1)[C@H](CC)c1ccc([N+](C)(C)C)cc1	ZINC000005651167	717100023	/nfs/dbraw/zinc/10/00/23/717100023.db2.gz	LUDGPHGYGLFGBB-PSWAGMNNSA-N	2	0	354.582	5.767	10	5		FKBERP
CC[C@H](c1ccc([N+](C)(C)C)cc1)[C@H](CC)c1ccc([N+](C)(C)C)cc1	ZINC000005651492	717099918	/nfs/dbraw/zinc/09/99/18/717099918.db2.gz	LUDGPHGYGLFGBB-DNQXCXABSA-N	2	0	354.582	5.767	10	5		FKBERP
CC[N+](CC)(CC)CCCCCCc1ccc([N+](CC)(CC)CC)cc1	ZINC000005688337	717100984	/nfs/dbraw/zinc/10/09/84/717100984.db2.gz	BIKSLAGOFWNTAO-UHFFFAOYSA-N	2	0	362.646	6.033	10	5		FKBERP
CC[N+](CC)(CC)CCCCCOCCCCC[N+](CC)(CC)CC	ZINC000005688338	717101096	/nfs/dbraw/zinc/10/10/96/717101096.db2.gz	NCLAKBHQLGCCLW-UHFFFAOYSA-N	2	0	358.655	5.097	10	5		FKBERP
CC[N+](CC)(CC)c1ccc(-c2ccc([N+](CC)(CC)CC)cc2)cc1	ZINC000005688384	717101289	/nfs/dbraw/zinc/10/12/89/717101289.db2.gz	JFKUNVRIUWHIIW-UHFFFAOYSA-N	2	0	354.582	6.088	10	5		FKBERP
CC[N+](CC)(CC)CCCCCCCCCCCC[N+](CC)(CC)CC	ZINC000013679884	211047935	/nfs/dbraw/zinc/04/79/35/211047935.db2.gz	PAXLJBJIRDJUTN-UHFFFAOYSA-N	2	0	370.710	6.640	10	5		FKBERP
C[N+](C)(C)CCCCCCCCCCCCCCCCCC[N+](C)(C)C	ZINC000031598829	717120449	/nfs/dbraw/zinc/12/04/49/717120449.db2.gz	FDJWCFJHUHMBEL-UHFFFAOYSA-N	2	0	370.710	6.640	10	5		FKBERP
CCC[N+](CCC)(CCC)CCCCCC[N+](CCC)(CCC)CCC	ZINC000034770429	717124826	/nfs/dbraw/zinc/12/48/26/717124826.db2.gz	YYJKMWYRQKQONI-UHFFFAOYSA-N	2	0	370.710	6.640	10	5		FKBERP
C[N+](C)(C)CCCCCCCCCCCCCCCCC[N+](C)(C)C	ZINC000205474763	717159898	/nfs/dbraw/zinc/15/98/98/717159898.db2.gz	MPEDTJMSFUVZGS-UHFFFAOYSA-N	2	0	356.683	6.250	10	5		FKBERP