smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1cccc(C)c1	ZINC000015009247	555853664	/nfs/dbraw/zinc/85/36/64/555853664.db2.gz	IIHHKFFRGCRQLB-VQHVLOKHSA-N	-2	0	452.423	2.889	40	5		JFBBRL
Cc1ccnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n1	ZINC000030755223	556372801	/nfs/dbraw/zinc/37/28/01/556372801.db2.gz	RXJHFLPIVIUKPM-UHFFFAOYSA-N	-2	0	463.497	2.603	40	5		JFBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000408603667	569970056	/nfs/dbraw/zinc/97/00/56/569970056.db2.gz	GQQJGDQLURBLRU-YCRREMRBSA-N	-2	0	483.393	2.901	40	5		JFBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)NCc1ccco1	ZINC000408604934	569970566	/nfs/dbraw/zinc/97/05/66/569970566.db2.gz	KDLZASJVDBCRNF-SOFGYWHQSA-N	-2	0	456.411	2.653	40	5		JFBBRL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000014397103	555802864	/nfs/dbraw/zinc/80/28/64/555802864.db2.gz	HGURJZMPZFFHLS-UHFFFAOYSA-N	-2	0	454.511	2.961	40	5		JFBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000409331265	570204342	/nfs/dbraw/zinc/20/43/42/570204342.db2.gz	NHLRHACWSBHPPV-SOFGYWHQSA-N	-2	0	483.393	2.901	40	5		JFBBRL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000013948333	555658577	/nfs/dbraw/zinc/65/85/77/555658577.db2.gz	BNUHRSGPKHAQRW-UHFFFAOYSA-N	-2	0	463.497	2.603	40	5		JFBBRL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000013948319	555658645	/nfs/dbraw/zinc/65/86/45/555658645.db2.gz	YTKWJIZCRKMYEP-UHFFFAOYSA-N	-2	0	463.497	2.603	40	5		JFBBRL
COC(=O)c1ccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2OC)cc1	ZINC000408602622	569969553	/nfs/dbraw/zinc/96/95/53/569969553.db2.gz	CVFBDFDAKLKMCO-ONNFQVAWSA-N	-2	0	496.432	2.779	40	5		JFBBRL
Cc1noc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1C	ZINC000013948298	555658735	/nfs/dbraw/zinc/65/87/35/555658735.db2.gz	XWELXTSHKILZSM-UHFFFAOYSA-N	-2	0	452.470	2.801	40	5		JFBBRL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n1	ZINC000016123814	524592953	/nfs/dbraw/zinc/59/29/53/524592953.db2.gz	IXPPKOHVOHBCGE-UHFFFAOYSA-N	-2	0	477.524	2.912	40	5		JFBBRL
O=c1nc2[nH]cccc-2c([O-])c1C(c1ccccc1[N+](=O)[O-])c1c([O-])c2cccnc2[nH]c1=O	ZINC000016449452	527468429	/nfs/dbraw/zinc/46/84/29/527468429.db2.gz	VJYIXBOMMZAICC-UHFFFAOYSA-N	-2	0	457.402	2.659	40	5		JFBBRL
O=[N+]([O-])c1ccc(/C(Br)=C\c2ccccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000068592172	569691433	/nfs/dbraw/zinc/69/14/33/569691433.db2.gz	NQMSXICNHXZIRJ-KPKJPENVSA-N	-2	0	464.271	2.981	40	5		JFBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2	ZINC000408604918	569970634	/nfs/dbraw/zinc/97/06/34/569970634.db2.gz	KDIMUOSMQGCMKW-XVNBXDOJSA-N	-2	0	482.405	2.721	40	5		JFBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000408605254	569970755	/nfs/dbraw/zinc/97/07/55/569970755.db2.gz	LIMGBURROKKZLQ-XVNBXDOJSA-N	-2	0	496.432	2.764	40	5		JFBBRL
CCc1nc(SC(=Cc2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408633166	569984345	/nfs/dbraw/zinc/98/43/45/569984345.db2.gz	WSEGTBPNNARGFP-UITAMQMPSA-N	-2	0	462.225	2.803	40	5		JFBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N1CCc2ccccc21	ZINC000408607534	569971478	/nfs/dbraw/zinc/97/14/78/569971478.db2.gz	SWZKPBDHVKEBPR-VQHVLOKHSA-N	-2	0	464.434	2.943	40	5		JFBBRL