smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCn1c2nc3c(c(=O)n(C)c(=O)n3C)n2c2ncccc2c1=O	ZINC000001645478	212251908	/nfs/dbraw/zinc/25/19/08/212251908.db2.gz	GIHXMCKNJAOPJQ-UHFFFAOYSA-N	1	0	397.439	-0.063	1	5		GBBFRO
CC[C@@H]1C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1O)[C@]23O	ZINC000014719147	717110838	/nfs/dbraw/zinc/11/08/38/717110838.db2.gz	FUMKPBJGNUEJCS-SPGLXIRPSA-N	1	0	384.449	-0.292	1	5		GBBFRO
C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O	ZINC000070647072	717133195	/nfs/dbraw/zinc/13/31/95/717133195.db2.gz	CRWHRMSWJOLABX-NXWCFRFGSA-N	1	0	382.433	-0.370	1	5		GBBFRO
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([N+](C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000103176815	717146197	/nfs/dbraw/zinc/14/61/97/717146197.db2.gz	OJOZAKYSCPTJDN-WRQOLXDDSA-N	1	0	390.409	-0.224	1	5		GBBFRO
C[C@H]1O[C@]12C[C@@H](C)[C@](C)(O)C(=O)OCC1=CC[N+]3(C)CC[C@@H](OC2=O)[C@]13O	ZINC000238733457	717162261	/nfs/dbraw/zinc/16/22/61/717162261.db2.gz	FDEKCTMQCUNCFJ-ZBNJAAFPSA-N	1	0	382.433	-0.131	1	5		GBBFRO
C[C@@H]1O[C@]12C[C@@H](C)[C@@](C)(O)C(=O)OCC1=CC[N+]3(C)CC[C@@H](OC2=O)[C@@]13O	ZINC000238742598	717162300	/nfs/dbraw/zinc/16/23/00/717162300.db2.gz	FDEKCTMQCUNCFJ-WKKULLIUSA-N	1	0	382.433	-0.131	1	5		GBBFRO
C[C@@H]1O[C@]12C[C@@H](C)[C@](C)(O)C(=O)OCC1=CC[N+]3(C)CC[C@@H](OC2=O)[C@]13O	ZINC000238782730	717163698	/nfs/dbraw/zinc/16/36/98/717163698.db2.gz	FDEKCTMQCUNCFJ-UHFXMIPGSA-N	1	0	382.433	-0.131	1	5		GBBFRO