smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](CC)(CC)C[C@@H](O)COc1ccc(OC[C@@H](O)C[N+](CC)(CC)CC)cc1	ZINC000005688373	717101254	/nfs/dbraw/zinc/10/12/54/717101254.db2.gz	YGYWCIIGZGPXIL-SZPZYZBQSA-N	2	0	426.642	2.919	10	5		IFBERP
CC[N+](CC)(CC)C[C@H](O)COc1ccc(OC[C@@H](O)C[N+](CC)(CC)CC)cc1	ZINC000005688374	717101211	/nfs/dbraw/zinc/10/12/11/717101211.db2.gz	YGYWCIIGZGPXIL-VXKWHMMOSA-N	2	0	426.642	2.919	10	5		IFBERP
CC[N+](CC)(CC)C[C@@H](O)COc1cccc(OC[C@@H](O)C[N+](CC)(CC)CC)c1	ZINC000005688375	717101008	/nfs/dbraw/zinc/10/10/08/717101008.db2.gz	KQRCTBMPPHBZOK-SZPZYZBQSA-N	2	0	426.642	2.919	10	5		IFBERP
CC[N+](CC)(CC)C[C@H](O)COc1cccc(OC[C@@H](O)C[N+](CC)(CC)CC)c1	ZINC000005688376	717100905	/nfs/dbraw/zinc/10/09/05/717100905.db2.gz	KQRCTBMPPHBZOK-VXKWHMMOSA-N	2	0	426.642	2.919	10	5		IFBERP
NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000027437210	563042341	/nfs/dbraw/zinc/04/23/41/563042341.db2.gz	QGYJOIDDJBUEBL-UHFFFAOYSA-N	2	0	430.421	2.699	10	5		IFBERP
CC[N+](CC)(CC)C[C@@H](O)COc1ccc(OC[C@H](O)C[N+](CC)(CC)CC)cc1	ZINC000005688377	717101091	/nfs/dbraw/zinc/10/10/91/717101091.db2.gz	YGYWCIIGZGPXIL-FGZHOGPDSA-N	2	0	426.642	2.919	10	5		IFBERP
CC[N+](CC)(CC)C[C@@H](O)COc1cccc(OC[C@H](O)C[N+](CC)(CC)CC)c1	ZINC000005688380	717101068	/nfs/dbraw/zinc/10/10/68/717101068.db2.gz	KQRCTBMPPHBZOK-FGZHOGPDSA-N	2	0	426.642	2.919	10	5		IFBERP