smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC1=C(NCC(=O)[O-])C[C@](O)(CO)C/C1=N/[C@@H](C(=O)[O-])[C@H](C)O	ZINC000014677361	560224153	/nfs/dbraw/zinc/22/41/53/560224153.db2.gz	VIZAVBQHHMQOQF-GKNQCEMBSA-N	-2	0	346.336	-1.689	1	30	in-vitro	EAEFRL
O=c1[nH]c(=O)n([C@]2(S)CO[C@@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000026730945	202147517	/nfs/dbraw/zinc/14/75/17/202147517.db2.gz	YYAYBDFFCLGAEU-SVGQVSJJSA-N	-2	0	344.213	-1.302	1	30		EAEFRL
O=c1[nH]c(=O)n([C@]2(S)CO[C@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000026730950	202147459	/nfs/dbraw/zinc/14/74/59/202147459.db2.gz	YYAYBDFFCLGAEU-YLWLKBPMSA-N	-2	0	344.213	-1.302	1	30		EAEFRL
O=c1[nH]c(=O)n([C@@]2(S)CO[C@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000026730961	202148295	/nfs/dbraw/zinc/14/82/95/202148295.db2.gz	YYAYBDFFCLGAEU-XNCJUZBTSA-N	-2	0	344.213	-1.302	1	30		EAEFRL
NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)CS	ZINC000049014350	213976005	/nfs/dbraw/zinc/97/60/05/213976005.db2.gz	FZOMAHRKQOUGKF-WDSKDSINSA-N	-2	0	335.338	-2.289	1	30		EAEFRL
N#Cc1cn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[n-]c1=O	ZINC000049802347	214033095	/nfs/dbraw/zinc/03/30/95/214033095.db2.gz	BUHKUGLYORHFNN-JXOAFFINSA-N	-3	0	349.192	-2.863	1	30	in-vitro	EAEFRL
N#Cc1cn([C@@H]2O[C@H](C[P@@](=O)([O-])O)[C@@H](O)[C@H]2F)c(=O)[n-]c1=O	ZINC000071295172	203091722	/nfs/dbraw/zinc/09/17/22/203091722.db2.gz	NOKKNGDKGRBAEA-JXOAFFINSA-N	-2	0	335.184	-1.405	1	30		EAEFRL
C[C@H](Cn1c2ncnc-2c(N)nc1NC(N)=[NH2+])OC[P@@](=O)([O-])O	ZINC000101458930	204008207	/nfs/dbraw/zinc/00/82/07/204008207.db2.gz	ODIYKRZBDNCIIW-RXMQYKEDSA-N	-2	0	344.272	-1.195	1	30		EAEFRL