smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N-]C(=S)SC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000038171598	174136062	/nfs/dbraw/zinc/13/60/62/174136062.db2.gz	DJFUZUUKZXAXBZ-SSDOTTSWSA-N	-2	0	262.356	0.369	1	30	in-man	CCEFRL
COc1ccc(-c2nc(=O)[n-]c([O-])c2C#N)cc1O	ZINC000095564009	185010274	/nfs/dbraw/zinc/01/02/74/185010274.db2.gz	YOSWYKZGVJZHRH-UHFFFAOYSA-N	-2	0	259.221	0.316	1	30		CCEFRL
O=C([O-])[C@@H](CO)N=Cc1c(=O)oc2ccccc2c1[O-]	ZINC000008381874	170334109	/nfs/dbraw/zinc/33/41/09/170334109.db2.gz	YBMUAUWLROIIFX-SVOHMGGZSA-N	-2	0	277.232	0.363	1	30		CCEFRL
CO/N=C(/C(=O)NC[P@@](=O)([O-])O)c1cccs1	ZINC000038601555	174149277	/nfs/dbraw/zinc/14/92/77/174149277.db2.gz	HQIBKNLWHUXEHS-JXMROGBWSA-N	-2	0	278.226	0.350	1	30		CCEFRL
C=CC[N-]C(=S)SC[C@H](NC(C)=O)C(=O)[O-]	ZINC000038171597	174136056	/nfs/dbraw/zinc/13/60/56/174136056.db2.gz	DJFUZUUKZXAXBZ-ZETCQYMHSA-N	-2	0	262.356	0.369	1	30	in-man	CCEFRL
O=C([O-])c1ccc(C[C@@H](CCC(=O)NO)C(=O)[O-])cc1	ZINC000003818088	560189662	/nfs/dbraw/zinc/18/96/62/560189662.db2.gz	VUDGMYIWOPKVSL-SNVBAGLBSA-N	-2	0	281.264	0.914	1	30	in-vitro	CCEFRL
O=C([O-])[C@H](CO)N=Cc1c(=O)oc2ccccc2c1[O-]	ZINC000008381873	170334071	/nfs/dbraw/zinc/33/40/71/170334071.db2.gz	YBMUAUWLROIIFX-QFKBZZQOSA-N	-2	0	277.232	0.363	1	30		CCEFRL
O=P([O-])([O-])C(=Nc1cccnc1)[P@](=O)([O-])O	ZINC000040577164	174342113	/nfs/dbraw/zinc/34/21/13/174342113.db2.gz	XXXSLRNRAZCBDE-UHFFFAOYSA-N	-3	0	266.086	0.425	1	30		CCEFRL
O=C([O-])c1ccc(C[C@H](CCC(=O)NO)C(=O)[O-])cc1	ZINC000013973801	560220979	/nfs/dbraw/zinc/22/09/79/560220979.db2.gz	VUDGMYIWOPKVSL-JTQLQIEISA-N	-2	0	281.264	0.914	1	30	in-vitro	CCEFRL
N#Cc1cc(-n2cc(C(=O)[O-])cn2)ccc1OCC(=O)[O-]	ZINC000028003956	171543331	/nfs/dbraw/zinc/54/33/31/171543331.db2.gz	UVFOPZRSOCZQFU-UHFFFAOYSA-N	-2	0	287.231	0.906	1	30		CCEFRL