smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1ccccc1F	ZINC001228971369	932061259	/nfs/dbraw/zinc/06/12/59/932061259.db2.gz	OFVQODPGEORCRJ-MRVPVSSYSA-N	-2	0	293.250	3.285	20	5		CGBDRL
O=C([O-])c1cc(Nc2ccccc2[S-])cc([N+](=O)[O-])c1	ZINC001176677384	809741281	/nfs/dbraw/zinc/74/12/81/809741281.db2.gz	VTBFLODCIGXQAX-UHFFFAOYSA-N	-2	0	290.300	3.325	20	5		CGBDRL
CCCC[C@@H](CC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228971239	932061146	/nfs/dbraw/zinc/06/11/46/932061146.db2.gz	MNKYSPAUZBDOHT-SNVBAGLBSA-N	-2	0	269.297	3.354	20	5		CGBDRL
O=C([O-])c1ccc(Nc2ccccc2[S-])cc1[N+](=O)[O-]	ZINC001174504267	809052405	/nfs/dbraw/zinc/05/24/05/809052405.db2.gz	ILVYJHNDVJFWJY-UHFFFAOYSA-N	-2	0	290.300	3.325	20	5		CGBDRL
O=C([O-])c1ccc(Nc2ccc([S-])cc2)cc1[N+](=O)[O-]	ZINC001174504431	809052209	/nfs/dbraw/zinc/05/22/09/809052209.db2.gz	FAAFIJZWMUYBQC-UHFFFAOYSA-N	-2	0	290.300	3.325	20	5		CGBDRL
O=[N+]([O-])c1cc(Nc2ccccc2[S-])ccc1[O-]	ZINC001210394505	814442320	/nfs/dbraw/zinc/44/23/20/814442320.db2.gz	AEKVOMQGWUIVTB-UHFFFAOYSA-N	-2	0	262.290	3.333	20	5		CGBDRL
O=[N+]([O-])c1c([O-])cc(O)cc1O[C@@H]1CCC=CCCC1	ZINC001228971381	932060955	/nfs/dbraw/zinc/06/09/55/932060955.db2.gz	OMCBUNZIVVHORG-LLVKDONJSA-N	-2	0	279.292	3.274	20	5		CGBDRL
CCn1c2ccccc2nc1-c1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC001251088081	805845900	/nfs/dbraw/zinc/84/59/00/805845900.db2.gz	UOXOUPSNUUBFJQ-UHFFFAOYSA-N	-2	0	299.286	3.043	20	5		CGBDRL
O=[N+]([O-])c1cc(Nc2ccc([S-])cc2)ccc1[O-]	ZINC001210400712	814445977	/nfs/dbraw/zinc/44/59/77/814445977.db2.gz	JXYANGINGHQDDP-UHFFFAOYSA-N	-2	0	262.290	3.333	20	5		CGBDRL
C[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1ccccc1F	ZINC001228971370	932061229	/nfs/dbraw/zinc/06/12/29/932061229.db2.gz	OFVQODPGEORCRJ-QMMMGPOBSA-N	-2	0	293.250	3.285	20	5		CGBDRL
O=C([O-])c1cc(Nc2ccc([S-])cc2)cc([N+](=O)[O-])c1	ZINC001176680671	809741967	/nfs/dbraw/zinc/74/19/67/809741967.db2.gz	VSJHZFJZUBZQNW-UHFFFAOYSA-N	-2	0	290.300	3.325	20	5		CGBDRL
Cc1cccc([C@H](C)Oc2cc(O)cc([O-])c2[N+](=O)[O-])c1	ZINC001228971372	932061467	/nfs/dbraw/zinc/06/14/67/932061467.db2.gz	OHPJDXQCNQQJCS-JTQLQIEISA-N	-2	0	289.287	3.454	20	5		CGBDRL
Cc1cc2nc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])[nH]c2cc1C	ZINC001251082330	805843855	/nfs/dbraw/zinc/84/38/55/805843855.db2.gz	FWFNTUVQASUUGN-UHFFFAOYSA-N	-2	0	299.286	3.166	20	5		CGBDRL
O=[N+]([O-])c1cc(Nc2c([O-])cc(F)cc2F)ccc1[O-]	ZINC001210395191	814441891	/nfs/dbraw/zinc/44/18/91/814441891.db2.gz	RGLQARSDUAUCGT-UHFFFAOYSA-N	-2	0	282.202	3.028	20	5		CGBDRL
COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1[S-]	ZINC001210397568	814443932	/nfs/dbraw/zinc/44/39/32/814443932.db2.gz	BINGHGBCLRZBSY-UHFFFAOYSA-N	-2	0	292.316	3.341	20	5		CGBDRL
CCCC[C@H](CC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228971237	932061083	/nfs/dbraw/zinc/06/10/83/932061083.db2.gz	MNKYSPAUZBDOHT-JTQLQIEISA-N	-2	0	269.297	3.354	20	5		CGBDRL
O=[N+]([O-])c1cc(Nc2ccc(F)c(F)c2[O-])ccc1[O-]	ZINC001210398115	814444618	/nfs/dbraw/zinc/44/46/18/814444618.db2.gz	QPRYTLDAUBVGST-UHFFFAOYSA-N	-2	0	282.202	3.028	20	5		CGBDRL