smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(C(=O)Nc1ccc(Br)cn1)C(=O)C1CC1	ZINC000038958782	581100496	/nfs/dbraw/zinc/10/04/96/581100496.db2.gz	XJGRCOKNYUHRIO-LUAWRHEFSA-N	0	0	308.135	2.528	1	50		DFGFRN
C/C=C(/COC(C)=O)C(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C	ZINC000001567086	180873870	/nfs/dbraw/zinc/87/38/70/180873870.db2.gz	RIYSKDBFFCNNSW-OEWWAVFSSA-N	0	0	306.358	2.519	1	50		DFGFRN
COc1ccc(/C(C=O)=C\c2ccc(O)cc2OC)c(O)c1	ZINC000064513032	184298701	/nfs/dbraw/zinc/29/87/01/184298701.db2.gz	QETFXXXVFOYOIP-GHXNOFRVSA-N	0	0	300.310	2.855	1	50		DFGFRN
CCCNC=C1C=C(C=O)c2c(ccc3c(C)cc(=O)oc32)C1=O	ZINC000102415561	193884536	/nfs/dbraw/zinc/88/45/36/193884536.db2.gz	MABJRJNMFHRZOJ-XFXZXTDPSA-N	0	0	323.348	2.764	1	50		DFGFRN
COC(=O)[C@]12C=CC(=O)C(=O)C1CC(CC/C=C(\C)C=O)=CC2	ZINC000103237185	185440062	/nfs/dbraw/zinc/44/00/62/185440062.db2.gz	DAXHANUNZFARPB-CJPFPAEUSA-N	0	0	316.353	2.742	1	50		DFGFRN