smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C(O)[C@@](C)(Cc2ccc(Oc3ccccc3)cc2)SC1=O	ZINC000101126099	219117211	/nfs/dbraw/zinc/11/72/11/219117211.db2.gz	NIBFVINYNYYSDB-LJQANCHMSA-N	0	2	326.417	4.886	1	30		EJEFLN
CC1=C(/C=C/C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)C(C)(C)CCC1	ZINC000040898752	213398525	/nfs/dbraw/zinc/39/85/25/213398525.db2.gz	DSAIUNYIQHPVCV-QGHYKFKQSA-N	0	2	341.407	4.966	1	30		EJEFLN
COc1ccc(C2=C(O)OC(=Cc3cccc4ccccc34)C2=O)cc1	ZINC000101033341	219114390	/nfs/dbraw/zinc/11/43/90/219114390.db2.gz	KERDBAFWJQVAJC-UYRXBGFRSA-N	0	2	344.366	4.715	1	30		EJEFLN
CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(C)cc1	ZINC000101490985	219128881	/nfs/dbraw/zinc/12/88/81/219128881.db2.gz	HHVGBRXCUVFRNJ-LPYMAVHISA-N	0	2	337.398	4.729	1	30		EJEFLN
CCCC1=NN(c2ccc(F)cc2)C(=O)C1C=Nc1ccc(C)cc1	ZINC000101490985	219128884	/nfs/dbraw/zinc/12/88/84/219128884.db2.gz	HHVGBRXCUVFRNJ-LPYMAVHISA-N	0	2	337.398	4.729	1	30		EJEFLN
CC1=C(O)[C@](C)(Cc2ccc(Oc3ccccc3)cc2)SC1=O	ZINC000101126102	219117162	/nfs/dbraw/zinc/11/71/62/219117162.db2.gz	NIBFVINYNYYSDB-IBGZPJMESA-N	0	2	326.417	4.886	1	30		EJEFLN