smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][N+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54	ZINC000027518881	717114583	/nfs/dbraw/zinc/11/45/83/717114583.db2.gz	QRKXNMQJQQZNCY-GMLMXPDCSA-N	2	0	350.442	1.481	1	5		FDBFRP
[NH3+][N@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54	ZINC000253647193	717166719	/nfs/dbraw/zinc/16/67/19/717166719.db2.gz	QRKXNMQJQQZNCY-ZFGPQYDPSA-N	2	0	350.442	1.481	1	5		FDBFRP
CC[N+]12CC[N+](CCCCC[N+]34CC[N+](CC)(CC3)CC4)(CC1)CC2	ZINC000299844694	717181526	/nfs/dbraw/zinc/18/15/26/717181526.db2.gz	SHYGYUCGNCACGD-UHFFFAOYSA-N	4	0	352.611	1.518	1	5		FDBFRP
[NH3+][N@@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54	ZINC000253647191	717166631	/nfs/dbraw/zinc/16/66/31/717166631.db2.gz	QRKXNMQJQQZNCY-UGPALIBZSA-N	2	0	350.442	1.481	1	5		FDBFRP
CCOC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1	ZINC000029466539	717119529	/nfs/dbraw/zinc/11/95/29/717119529.db2.gz	IWNLYYFJAYBQOF-UHFFFAOYSA-N	2	0	366.594	1.244	1	5		FDBFRP