smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)nc2ccccc21	ZINC000498297819	1122847748	/nfs/dbraw/zinc/84/77/48/1122847748.db2.gz	CKHUEGOCPUQITB-ALCCZGGFSA-N	-1	2	336.303	3.717	20	5		EHBDLM
C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000572980948	1030128915	/nfs/dbraw/zinc/12/89/15/1030128915.db2.gz	XVBMJJKQEKDPQY-GXTWGEPZSA-N	-1	2	330.359	3.818	20	5		EHBDLM
O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000791391483	1134543072	/nfs/dbraw/zinc/54/30/72/1134543072.db2.gz	IIMXISOFSRSRFS-UHFFFAOYSA-N	-1	2	343.122	3.565	20	5		EHBDLM
O=C([O-])c1cc(/C=C\c2ccc(O)c([N+](=O)[O-])c2)nc2ccccc21	ZINC000213153959	1033135977	/nfs/dbraw/zinc/13/59/77/1033135977.db2.gz	BNQOJXMBXJSJGG-ALCCZGGFSA-N	-1	2	336.303	3.717	20	5		EHBDLM
O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436978194	1021432480	/nfs/dbraw/zinc/43/24/80/1021432480.db2.gz	HLKPLRDAASKJDB-UHFFFAOYSA-N	-1	2	343.122	3.565	20	5		EHBDLM
O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1	ZINC000339185688	1026419289	/nfs/dbraw/zinc/41/92/89/1026419289.db2.gz	QIFUBISRPRIGIQ-IEBWSBKVSA-N	-1	2	342.395	3.528	20	5		EHBDLM
O=C([O-])c1ccc2nc(/C=C/c3cc(O)ccc3[N+](=O)[O-])ccc2c1	ZINC000463346112	1038052785	/nfs/dbraw/zinc/05/27/85/1038052785.db2.gz	RVYIOJJLROHJSG-GORDUTHDSA-N	-1	2	336.303	3.717	20	5		EHBDLM
O=C([O-])c1ccc2nc(/C=C\c3ccc([N+](=O)[O-])c(O)c3)ccc2c1	ZINC000463346387	1038053418	/nfs/dbraw/zinc/05/34/18/1038053418.db2.gz	SOSBMJRSAZHVOG-KTAJNNJTSA-N	-1	2	336.303	3.717	20	5		EHBDLM
O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000767162583	1132962987	/nfs/dbraw/zinc/96/29/87/1132962987.db2.gz	VUBKZVCWBHACCB-UHFFFAOYSA-N	-1	2	343.122	3.565	20	5		EHBDLM
C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000572980951	1030129410	/nfs/dbraw/zinc/12/94/10/1030129410.db2.gz	XVBMJJKQEKDPQY-TZMCWYRMSA-N	-1	2	330.359	3.818	20	5		EHBDLM
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001295971317	1141299042	/nfs/dbraw/zinc/29/90/42/1141299042.db2.gz	ACSKTQSRQATOCV-UHFFFAOYSA-N	-1	2	343.122	3.565	20	5		EHBDLM
C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000572980950	1030127413	/nfs/dbraw/zinc/12/74/13/1030127413.db2.gz	XVBMJJKQEKDPQY-OCCSQVGLSA-N	-1	2	330.359	3.818	20	5		EHBDLM
O=C([O-])c1ccc2nc(/C=C\c3ccc(O)c([N+](=O)[O-])c3)ccc2c1	ZINC000440615785	1028430109	/nfs/dbraw/zinc/43/01/09/1028430109.db2.gz	QQBNSMWQILTMHR-KTAJNNJTSA-N	-1	2	336.303	3.717	20	5		EHBDLM
O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc(O)ccc1[N+](=O)[O-]	ZINC000354400302	1123584535	/nfs/dbraw/zinc/58/45/35/1123584535.db2.gz	ZJLPWEQTGUSDED-UHFFFAOYSA-N	-1	2	343.122	3.565	20	5		EHBDLM
CC(C)(C)c1csc(/C(=C\c2ccc([N+](=O)[O-])c(O)c2)C(=O)[O-])n1	ZINC001590527330	990142390	/nfs/dbraw/zinc/14/23/90/990142390.db2.gz	YVVMINKTHCILEZ-UXBLZVDNSA-N	-1	2	348.380	3.680	20	5		EHBDLM
O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1O	ZINC000773565189	1132894341	/nfs/dbraw/zinc/89/43/41/1132894341.db2.gz	YHAUQFFKNZTDNA-UHFFFAOYSA-N	-1	2	343.122	3.565	20	5		EHBDLM
CC(C)(C)c1csc(/C(=C/c2cc(O)ccc2[N+](=O)[O-])C(=O)[O-])n1	ZINC001590527085	990140429	/nfs/dbraw/zinc/14/04/29/990140429.db2.gz	RHZUYIBMQBWTHP-XFFZJAGNSA-N	-1	2	348.380	3.680	20	5		EHBDLM