smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
ClC/C=C\C[N+]12CN3CN(CN(C3)C1)C2	ZINC000019325566	717113011	/nfs/dbraw/zinc/11/30/11/717113011.db2.gz	TUWYDQPQIKSQLI-UPHRSURJSA-N	1	0	229.735	0.290	40	50		BCGBRO
C[N+](C)(C)CC(=O)N/N=C\c1cccc(O)c1	ZINC000031937763	717120189	/nfs/dbraw/zinc/12/01/89/717120189.db2.gz	KCEKFQFHXIYQNU-JYRVWZFOSA-O	1	0	236.295	0.549	40	50		BCGBRO
C[N+](C)(C)CC(=O)N/N=C\c1ccco1	ZINC000004744328	717098579	/nfs/dbraw/zinc/09/85/79/717098579.db2.gz	UXPBHQWNMWUQNA-XFFZJAGNSA-O	1	0	210.257	0.436	40	50		BCGBRO
C[N+](C)(C)CC(=O)N/N=C\c1cccs1	ZINC000004744348	717098671	/nfs/dbraw/zinc/09/86/71/717098671.db2.gz	QQPKSUCHAWOPBP-XFFZJAGNSA-O	1	0	226.325	0.904	40	50		BCGBRO
C[N+]1(CCBr)CCOCC1	ZINC000001667090	717089345	/nfs/dbraw/zinc/08/93/45/717089345.db2.gz	XYUVZSQKRCJILO-UHFFFAOYSA-N	1	0	209.107	0.858	40	50		BCGBRO
C[N+]1(C)CCN(C(=O)CCCl)CC1	ZINC000001689640	717089501	/nfs/dbraw/zinc/08/95/01/717089501.db2.gz	RACJTSMRGHVDLM-UHFFFAOYSA-N	1	0	205.709	0.534	40	50		BCGBRO
C[N+](C)(C)CC(=O)N/N=C\c1ccccc1	ZINC000031937787	717120184	/nfs/dbraw/zinc/12/01/84/717120184.db2.gz	HRFUVYRXRKUZGO-LCYFTJDESA-O	1	0	220.296	0.843	40	50		BCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1cccc(O)c1	ZINC000001847167	717090057	/nfs/dbraw/zinc/09/00/57/717090057.db2.gz	KCEKFQFHXIYQNU-MDWZMJQESA-O	1	0	236.295	0.549	40	50		BCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1cccs1	ZINC000001847333	717090782	/nfs/dbraw/zinc/09/07/82/717090782.db2.gz	QQPKSUCHAWOPBP-YRNVUSSQSA-O	1	0	226.325	0.904	40	50		BCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccco1	ZINC000001847265	717090716	/nfs/dbraw/zinc/09/07/16/717090716.db2.gz	UXPBHQWNMWUQNA-YRNVUSSQSA-O	1	0	210.257	0.436	40	50		BCGBRO
CCCC/C=N/NC(=O)C[N+](C)(C)C	ZINC000005972883	717102765	/nfs/dbraw/zinc/10/27/65/717102765.db2.gz	DBDVRVSVONMLNM-DHZHZOJOSA-O	1	0	200.306	0.985	40	50		BCGBRO
ClC/C=C/C[N+]12CN3CN(CN(C3)C1)C2	ZINC000019327639	717112938	/nfs/dbraw/zinc/11/29/38/717112938.db2.gz	TUWYDQPQIKSQLI-OWOJBTEDSA-N	1	0	229.735	0.290	40	50		BCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccccc1	ZINC000006519586	717104563	/nfs/dbraw/zinc/10/45/63/717104563.db2.gz	HRFUVYRXRKUZGO-UKTHLTGXSA-O	1	0	220.296	0.843	40	50		BCGBRO
C[N+](C)(CI)CCO	ZINC000013822355	717110144	/nfs/dbraw/zinc/11/01/44/717110144.db2.gz	PVSYYJGWRSOEQY-UHFFFAOYSA-N	1	0	230.069	0.448	40	50		BCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccccc1O	ZINC000001847107	717090136	/nfs/dbraw/zinc/09/01/36/717090136.db2.gz	ICVDMRPHMGFSHD-UHFFFAOYSA-O	1	0	236.295	0.549	40	50		BCGBRO
CCCC/C=N\NC(=O)C[N+](C)(C)C	ZINC000004744332	717098754	/nfs/dbraw/zinc/09/87/54/717098754.db2.gz	DBDVRVSVONMLNM-FLIBITNWSA-O	1	0	200.306	0.985	40	50		BCGBRO
C[N+](C)(C)CC(=O)N/N=C/c1ccncc1	ZINC000001847323	717090567	/nfs/dbraw/zinc/09/05/67/717090567.db2.gz	JBSOGTMDLDPPJY-UHFFFAOYSA-O	1	0	221.284	0.238	40	50	in-vitro	BCGBRO