smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000009234836	555008804	/nfs/dbraw/zinc/00/88/04/555008804.db2.gz	OCVYRNRBMSSEFP-FPYGCLRLSA-N	-2	1	462.231	4.035	50	5		JIBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OCc1cccc(F)c1	ZINC000009409902	555175391	/nfs/dbraw/zinc/17/53/91/555175391.db2.gz	CKOLOGAOLCQKDY-AATRIKPKSA-N	-2	1	492.257	4.043	50	5		JIBAML
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000002987934	194195711	/nfs/dbraw/zinc/19/57/11/194195711.db2.gz	GVZNJOIHXJRDCL-UHFFFAOYSA-N	-2	1	483.527	4.350	50	5		JIBAML
O=c1[n-]c(C=Cc2cc(Br)ccc2OCc2ccccc2F)nc([O-])c1[N+](=O)[O-]	ZINC000009234787	555008612	/nfs/dbraw/zinc/00/86/12/555008612.db2.gz	XREVGPJOOYSFJO-VMPITWQZSA-N	-2	1	462.231	4.035	50	5		JIBAML
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002817236	554363235	/nfs/dbraw/zinc/36/32/35/554363235.db2.gz	VNDWEGNLGIGGDT-UHFFFAOYSA-N	-2	1	481.939	4.158	50	5		JIBAML
O=C(c1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000033422183	526887363	/nfs/dbraw/zinc/88/73/63/526887363.db2.gz	ZFVVNQCVOMJQPE-UHFFFAOYSA-N	-2	1	498.904	4.171	50	5		JIBAML
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1	ZINC000002864400	554390583	/nfs/dbraw/zinc/39/05/83/554390583.db2.gz	RKYYJDQKJJUJRR-UHFFFAOYSA-N	-2	1	483.527	4.350	50	5		JIBAML
O=C([O-])c1cccc(NC(=O)c2ccc([N-]c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1	ZINC000100246337	569756196	/nfs/dbraw/zinc/75/61/96/569756196.db2.gz	VAZANIDHDGBFOE-UHFFFAOYSA-N	-2	1	467.350	4.105	50	5		JIBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OCc1cccc(F)c1	ZINC000016361351	521983759	/nfs/dbraw/zinc/98/37/59/521983759.db2.gz	CKOLOGAOLCQKDY-WAYWQWQTSA-N	-2	1	492.257	4.043	50	5		JIBAML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1	ZINC000016383148	527394944	/nfs/dbraw/zinc/39/49/44/527394944.db2.gz	IVLHZTGRLWDNOQ-UHFFFAOYSA-N	-2	1	483.527	4.350	50	5		JIBAML
Nc1c(Cl)cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000069589496	569693403	/nfs/dbraw/zinc/69/34/03/569693403.db2.gz	KFKGZZYWVXORRL-UHFFFAOYSA-N	-2	1	497.316	4.243	50	5		JIBAML
CC[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000016498356	522186340	/nfs/dbraw/zinc/18/63/40/522186340.db2.gz	QMSCRSGFTKKKGQ-MRXNPFEDSA-N	-2	1	469.519	4.025	50	5		JIBAML
CC[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000016498353	522540805	/nfs/dbraw/zinc/54/08/05/522540805.db2.gz	QMSCRSGFTKKKGQ-INIZCTEOSA-N	-2	1	469.519	4.025	50	5		JIBAML
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002085242	554030752	/nfs/dbraw/zinc/03/07/52/554030752.db2.gz	QVXIIGHDBMSQCO-UHFFFAOYSA-N	-2	1	481.939	4.158	50	5		JIBAML
Cc1nc([N-]c2ccc(Br)cn2)nc([N-]c2ccc(Br)cn2)c1[N+](=O)[O-]	ZINC000006177608	554514985	/nfs/dbraw/zinc/51/49/85/554514985.db2.gz	PFNBWUZCPFHIPQ-UHFFFAOYSA-N	-2	1	481.108	4.495	50	5		JIBAML