smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CC(=O)N/N=C/c1ccc[nH]1	ZINC000071779568	717133552	/nfs/dbraw/zinc/13/35/52/717133552.db2.gz	LFNZZRMJQODGTP-UHFFFAOYSA-O	1	0	209.273	0.171	10	50		BCGERO
C[N+](C)(C)CCCSS(C)(=O)=O	ZINC000002379178	717094318	/nfs/dbraw/zinc/09/43/18/717094318.db2.gz	FTOBGHBOYZUIFI-UHFFFAOYSA-N	1	0	212.360	0.776	10	50	in-vitro	BCGERO
C[N+](C)(C)CC(=O)NN=Cc1ccco1	ZINC000254290094	717170726	/nfs/dbraw/zinc/17/07/26/717170726.db2.gz	UXPBHQWNMWUQNA-UHFFFAOYSA-O	1	0	210.257	0.436	10	50		BCGERO
C[N+](C)(C)CCNC(=O)CBr	ZINC000003651620	717096771	/nfs/dbraw/zinc/09/67/71/717096771.db2.gz	GKFXYKPMGAGIHY-UHFFFAOYSA-O	1	0	224.122	0.204	10	50		BCGERO
C#CC[N+](C)(C)CCSS(C)(=O)=O	ZINC000022058134	717113208	/nfs/dbraw/zinc/11/32/08/717113208.db2.gz	OTQDKNKOHPBOBQ-UHFFFAOYSA-N	1	0	222.355	0.389	10	50		BCGERO
CC[N+](CC)(CC)CCC[Si](O)(O)O	ZINC000205093495	717159373	/nfs/dbraw/zinc/15/93/73/717159373.db2.gz	WEUAQPKFZAODPS-UHFFFAOYSA-N	1	0	222.381	0.169	10	50		BCGERO
C[N+](C)(C)c1ccc(C=NNC(N)=O)cc1	ZINC000254481668	717170637	/nfs/dbraw/zinc/17/06/37/717170637.db2.gz	GKWNFRRXBOJKAZ-UHFFFAOYSA-O	1	0	221.284	0.886	10	50		BCGERO
C[N+](C)(C)CC(=O)N/N=C/c1ccccn1	ZINC000071779569	717133688	/nfs/dbraw/zinc/13/36/88/717133688.db2.gz	DQSNXLQZLFKDAM-UHFFFAOYSA-O	1	0	221.284	0.238	10	50		BCGERO
C[N+](C)(CI)CCCO	ZINC000072265869	717133885	/nfs/dbraw/zinc/13/38/85/717133885.db2.gz	MGZFSBIMZTVFSP-UHFFFAOYSA-N	1	0	244.096	0.838	10	50		BCGERO