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)[C@H](Br)/C=C/CBr	ZINC000207016011	717160903	/nfs/dbraw/zinc/16/09/03/717160903.db2.gz	KDNQMSOETJUTOW-KPJROHGDSA-N	1	0	272.004	2.365	10	50		CEGERO
C[N+](C)(C)[C@@H](Br)/C=C/CBr	ZINC000207016089	717160709	/nfs/dbraw/zinc/16/07/09/717160709.db2.gz	KDNQMSOETJUTOW-SMMXGFFBSA-N	1	0	272.004	2.365	10	50		CEGERO
C[N+](C)(C)c1ccc(CSS(C)(=O)=O)cc1	ZINC000002580646	717095766	/nfs/dbraw/zinc/09/57/66/717095766.db2.gz	PCQXYWGRVYCXHO-UHFFFAOYSA-N	1	0	260.404	2.076	10	50	in-vitro	CEGERO
CO[Si](CCc1ccc(C[N+](C)(C)C)cc1)(OC)OC	ZINC000725440140	717188677	/nfs/dbraw/zinc/18/86/77/717188677.db2.gz	RJSSLQIGKKSGCA-UHFFFAOYSA-N	1	0	298.479	2.313	10	50		CEGERO
Cc1ccc(S(=O)(=O)SCC[N+](C)(C)C)cc1	ZINC000002387222	717094211	/nfs/dbraw/zinc/09/42/11/717094211.db2.gz	XQKLNOIJTVNFST-UHFFFAOYSA-N	1	0	274.431	2.123	10	50	in-vitro	CEGERO
CC(/C=C/c1ccc(C)cc1)=NNC(=O)C[N+](C)(C)C	ZINC000254769093	717170975	/nfs/dbraw/zinc/17/09/75/717170975.db2.gz	HYLXGOYRALTGAQ-JRKKXKJCSA-O	1	0	274.388	2.207	10	50		CEGERO
C[N+](C)(C)[C@H](Br)/C=C\CBr	ZINC000207015973	717160582	/nfs/dbraw/zinc/16/05/82/717160582.db2.gz	KDNQMSOETJUTOW-MJSGSUOKSA-N	1	0	272.004	2.365	10	50		CEGERO
CC(=O)N[N+](C)(C)Cc1ccccc1Br	ZINC000003633001	717096387	/nfs/dbraw/zinc/09/63/87/717096387.db2.gz	SFSNGHYYUCWTDQ-UHFFFAOYSA-O	1	0	272.166	2.077	10	50		CEGERO
C[N+](C)(C)[C@@H](Br)/C=C\CBr	ZINC000207016050	717160845	/nfs/dbraw/zinc/16/08/45/717160845.db2.gz	KDNQMSOETJUTOW-IQXGSHKSSA-N	1	0	272.004	2.365	10	50		CEGERO
C[N+](C)(C)CCCCCCCSS(C)(=O)=O	ZINC000022067352	717112815	/nfs/dbraw/zinc/11/28/15/717112815.db2.gz	ASOLSNBWKKCMRQ-UHFFFAOYSA-N	1	0	268.468	2.336	10	50	in-vitro	CEGERO
CC(/C=C\c1ccc(C)cc1)=NNC(=O)C[N+](C)(C)C	ZINC000254769091	717171213	/nfs/dbraw/zinc/17/12/13/717171213.db2.gz	HYLXGOYRALTGAQ-CKIQPETLSA-O	1	0	274.388	2.207	10	50		CEGERO
C[N+](C)(C)Cc1ccc(CSS(C)(=O)=O)cc1	ZINC000002509804	717094170	/nfs/dbraw/zinc/09/41/70/717094170.db2.gz	ZURMBQLKLCSXHU-UHFFFAOYSA-N	1	0	274.431	2.086	10	50	in-vitro	CEGERO