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)CCOCCI	ZINC000001854629	717090835	/nfs/dbraw/zinc/09/08/35/717090835.db2.gz	DHXANSVTUWPTCK-UHFFFAOYSA-N	1	0	258.123	1.144	10	50		CDGERO
CS(=O)(=O)SCC[N+]12CCC(CC1)CC2	ZINC000002576436	717095528	/nfs/dbraw/zinc/09/55/28/717095528.db2.gz	KDPJGHPAPHEUJI-UHFFFAOYSA-N	1	0	250.409	1.310	10	50	in-vitro	CDGERO
C=CC(=O)OCC[N+](CC)(CC)C[C@H](O)CCl	ZINC000033611114	717121409	/nfs/dbraw/zinc/12/14/09/717121409.db2.gz	MKXLKVZOHLIQOS-LLVKDONJSA-N	1	0	264.773	1.172	10	50		CDGERO
S=C1NC[C@H](CBr)[N+]12CCCC2	ZINC000006303313	717104307	/nfs/dbraw/zinc/10/43/07/717104307.db2.gz	NZMBLARSGZUJTC-ZETCQYMHSA-O	1	0	250.185	1.249	10	50		CDGERO
C=C(C)C(=O)OCC[N+](CC)(CC)C[C@H](O)CCl	ZINC000033610853	717121467	/nfs/dbraw/zinc/12/14/67/717121467.db2.gz	FZGZEOYZRFFONW-GFCCVEGCSA-N	1	0	278.800	1.562	10	50		CDGERO
C[N+](C)(C)CCCCCCSS(C)(=O)=O	ZINC000002509802	717094605	/nfs/dbraw/zinc/09/46/05/717094605.db2.gz	BUJFUDIHKWADEP-UHFFFAOYSA-N	1	0	254.441	1.946	10	50	in-vitro	CDGERO
C=CC(=O)OCC[N+](CC)(CC)C[C@@H](O)CCl	ZINC000033611113	717121354	/nfs/dbraw/zinc/12/13/54/717121354.db2.gz	MKXLKVZOHLIQOS-NSHDSACASA-N	1	0	264.773	1.172	10	50		CDGERO
S=C1NC[C@@H](CBr)[N+]12CCCC2	ZINC000006303311	717104737	/nfs/dbraw/zinc/10/47/37/717104737.db2.gz	NZMBLARSGZUJTC-SSDOTTSWSA-O	1	0	250.185	1.249	10	50		CDGERO
C=C(C)C(=O)OCC[N+](CC)(CC)C[C@@H](O)CCl	ZINC000033610852	717121406	/nfs/dbraw/zinc/12/14/06/717121406.db2.gz	FZGZEOYZRFFONW-LBPRGKRZSA-N	1	0	278.800	1.562	10	50		CDGERO
CC[N+](CC)(CC)CCCSS(C)(=O)=O	ZINC000002379175	717094177	/nfs/dbraw/zinc/09/41/77/717094177.db2.gz	QMFMLWVMQYLZQG-UHFFFAOYSA-N	1	0	254.441	1.946	10	50	in-vitro	CDGERO
Cc1cc(Cl)cc(C=NNC(=O)C[N+](C)(C)C)c1O	ZINC000794456161	717189468	/nfs/dbraw/zinc/18/94/68/717189468.db2.gz	IUABSAAXKPGURY-UHFFFAOYSA-O	1	0	284.767	1.510	10	50		CDGERO