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-])c1ccc(Cl)c(/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1	ZINC000408962379	434596177	/nfs/dbraw/zinc/59/61/77/434596177.db2.gz	HWWMJJHNIUVHJT-FRKPEAEDSA-N	-1	2	320.688	3.403	40	30		DGEBLM
CN(C)c1ccc(/C=C2/C(=N/[O-])/c3ccccc3/C2=N\O)cc1	ZINC000104165699	432014981	/nfs/dbraw/zinc/01/49/81/432014981.db2.gz	XBVIKXVKRQGMRM-XPWSMXQVSA-N	-1	2	307.353	3.206	40	30		DGEBLM
CN(C)c1ccc(/C=C2\C(=N\[O-])\c3ccccc3\C2=N/O)cc1	ZINC000104165699	432014984	/nfs/dbraw/zinc/01/49/84/432014984.db2.gz	XBVIKXVKRQGMRM-XPWSMXQVSA-N	-1	2	307.353	3.206	40	30		DGEBLM
Cc1c(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000408905271	434594714	/nfs/dbraw/zinc/59/47/14/434594714.db2.gz	WKNXUOOPQXPJAD-LZYBPNLTSA-N	-1	2	300.270	3.058	40	30		DGEBLM
Cc1cc(C(=O)[O-])ccc1/N=C/c1cc([N+](=O)[O-])ccc1O	ZINC000409111765	434598500	/nfs/dbraw/zinc/59/85/00/434598500.db2.gz	BZEIXXPYIJBWCZ-LZYBPNLTSA-N	-1	2	300.270	3.058	40	30		DGEBLM
CN(C)c1ccc(/C=C2/C(=N\[O-])/c3ccccc3/C2=N/O)cc1	ZINC000104165706	432014615	/nfs/dbraw/zinc/01/46/15/432014615.db2.gz	XBVIKXVKRQGMRM-CLFAGFIQSA-N	-1	2	307.353	3.206	40	30		DGEBLM
CN(C)c1ccc(/C=C2\C(=N/[O-])\c3ccccc3\C2=N\O)cc1	ZINC000104165706	432014617	/nfs/dbraw/zinc/01/46/17/432014617.db2.gz	XBVIKXVKRQGMRM-CLFAGFIQSA-N	-1	2	307.353	3.206	40	30		DGEBLM
O=C([O-])c1ccc(Cl)c(/N=C/c2cccc([N+](=O)[O-])c2O)c1	ZINC000409081364	304244539	/nfs/dbraw/zinc/24/45/39/304244539.db2.gz	PQDFQOYWZGENAH-FRKPEAEDSA-N	-1	2	320.688	3.403	40	30		DGEBLM
Cc1ccc(C(=O)[O-])cc1/N=C\c1cccc([N+](=O)[O-])c1O	ZINC000409098143	434597276	/nfs/dbraw/zinc/59/72/76/434597276.db2.gz	INLOPOBAOKFYJB-PXNMLYILSA-N	-1	2	300.270	3.058	40	30		DGEBLM
O=C([O-])c1cc(/N=C\c2ccc(O)c([N+](=O)[O-])c2)ccc1Cl	ZINC000408961088	434595521	/nfs/dbraw/zinc/59/55/21/434595521.db2.gz	ABRXRLLAWZZXGV-APSNUPSMSA-N	-1	2	320.688	3.403	40	30		DGEBLM
Cc1ccc(C(=O)[O-])cc1/N=C/c1cc([N+](=O)[O-])ccc1O	ZINC000409090419	434597865	/nfs/dbraw/zinc/59/78/65/434597865.db2.gz	QQJBPYZJTXBCKU-LZYBPNLTSA-N	-1	2	300.270	3.058	40	30		DGEBLM
Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2O)cccc1C(=O)[O-]	ZINC000409105049	434598545	/nfs/dbraw/zinc/59/85/45/434598545.db2.gz	IDIYOYILABWZGK-LZYBPNLTSA-N	-1	2	300.270	3.058	40	30		DGEBLM
O=C([O-])c1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1	ZINC000409107927	304244616	/nfs/dbraw/zinc/24/46/16/304244616.db2.gz	YERNQKPSDZMAEN-FRKPEAEDSA-N	-1	2	320.688	3.403	40	30		DGEBLM
O=C([O-])c1cc(/N=C\c2cccc([N+](=O)[O-])c2O)ccc1Cl	ZINC000409070606	304220150	/nfs/dbraw/zinc/22/01/50/304220150.db2.gz	CQTRJHOHMVLKLJ-APSNUPSMSA-N	-1	2	320.688	3.403	40	30		DGEBLM
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(O)c([N+](=O)[O-])c1	ZINC000408963696	434595842	/nfs/dbraw/zinc/59/58/42/434595842.db2.gz	OOHLRHHCTWCBBG-LZYBPNLTSA-N	-1	2	300.270	3.058	40	30		DGEBLM
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc(O)c([N+](=O)[O-])c1	ZINC000408905540	434596225	/nfs/dbraw/zinc/59/62/25/434596225.db2.gz	YYVKSBYCCWYFMO-PXNMLYILSA-N	-1	2	300.270	3.058	40	30		DGEBLM
CC(=O)C1=C(O)C(=O)N(c2ccccc2F)[C@H]1c1ccccc1	ZINC000001438425	431226347	/nfs/dbraw/zinc/22/63/47/431226347.db2.gz	VBKJDUHNKDSDJI-INIZCTEOSA-N	-1	2	311.312	3.315	40	30		DGEBLM
Cc1cc(C(=O)[O-])ccc1/N=C/c1cccc([N+](=O)[O-])c1O	ZINC000003001685	431277647	/nfs/dbraw/zinc/27/76/47/431277647.db2.gz	ODOXPBUSDKLXCL-LZYBPNLTSA-N	-1	2	300.270	3.058	40	30		DGEBLM
O=C([O-])c1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1Cl	ZINC000408963730	434596049	/nfs/dbraw/zinc/59/60/49/434596049.db2.gz	OTOHCDOJNQEANN-FRKPEAEDSA-N	-1	2	320.688	3.403	40	30		DGEBLM
O=C([O-])c1cc(/N=C\c2cc([N+](=O)[O-])ccc2O)ccc1Cl	ZINC000409106522	304220078	/nfs/dbraw/zinc/22/00/78/304220078.db2.gz	MMQCLQHCJGTSCN-APSNUPSMSA-N	-1	2	320.688	3.403	40	30		DGEBLM
Cc1c(/N=C/c2cccc([N+](=O)[O-])c2O)cccc1C(=O)[O-]	ZINC000409087759	434598795	/nfs/dbraw/zinc/59/87/95/434598795.db2.gz	JTZALIUVFNEERW-LZYBPNLTSA-N	-1	2	300.270	3.058	40	30		DGEBLM
CC(=O)C1=C(O)C(=O)N(c2ccccc2F)[C@@H]1c1ccccc1	ZINC000001438426	431225438	/nfs/dbraw/zinc/22/54/38/431225438.db2.gz	VBKJDUHNKDSDJI-MRXNPFEDSA-N	-1	2	311.312	3.315	40	30		DGEBLM