smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](CCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000071788231	553638276	/nfs/dbraw/zinc/63/82/76/553638276.db2.gz	HZQIQHGUQPYWSW-VWLOTQADSA-N	-1	2	576.606	4.559	10	30		KJEELM
O=C([O-])[C@@H](CCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000071788232	553638292	/nfs/dbraw/zinc/63/82/92/553638292.db2.gz	HZQIQHGUQPYWSW-RUZDIDTESA-N	-1	2	576.606	4.559	10	30		KJEELM
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO[P@](=O)([O-])O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000077273315	553657536	/nfs/dbraw/zinc/65/75/36/553657536.db2.gz	YUVSZTHGPGQBCL-QVSIZTKGSA-N	-1	2	605.779	4.925	10	30	in-vitro	KJEELM
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000077273315	553657535	/nfs/dbraw/zinc/65/75/35/553657535.db2.gz	YUVSZTHGPGQBCL-QVSIZTKGSA-N	-1	2	605.779	4.925	10	30	in-vitro	KJEELM
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P@](=O)([O-])O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000077273322	553657584	/nfs/dbraw/zinc/65/75/84/553657584.db2.gz	YUVSZTHGPGQBCL-VAZPAFHYSA-N	-1	2	605.779	4.925	10	30	in-vitro	KJEELM
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P@@](=O)([O-])O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000077273322	553657583	/nfs/dbraw/zinc/65/75/83/553657583.db2.gz	YUVSZTHGPGQBCL-VAZPAFHYSA-N	-1	2	605.779	4.925	10	30	in-vitro	KJEELM
Cn1nccc1-c1cc(Br)ccc1Oc1ccc(S(=O)(=O)[N-]c2nccs2)cc1C#N	ZINC000095583193	562772833	/nfs/dbraw/zinc/77/28/33/562772833.db2.gz	PRPIINSRDSEJGY-UHFFFAOYSA-N	-1	2	516.402	4.771	10	30		KJEELM