smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCN1CCN2C(=O)CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]12	ZINC000061947647	136132757	/nfs/dbraw/zinc/13/27/57/136132757.db2.gz	RQFAPQSYHKEZIH-ZDUSSCGKSA-N	1	0	373.335	0.863	3	5		FCBFRO
C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O	ZINC000238764942	717163130	/nfs/dbraw/zinc/16/31/30/717163130.db2.gz	YLPHOAABCKQOPS-JJWOTGEOSA-N	1	0	368.450	0.737	1	5		FCBFRO
Cn1c(=O)cc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n(C)c1=O	ZINC000026995682	136153412	/nfs/dbraw/zinc/15/34/12/136153412.db2.gz	HABUIUAZDACRKI-UHFFFAOYSA-N	1	0	373.413	0.357	1	5		FCBFRO
C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@H](OC1=O)[C@@]23O	ZINC000238761069	717162639	/nfs/dbraw/zinc/16/26/39/717162639.db2.gz	SRADQUKTDOQMGD-NMPYBZJVSA-N	1	0	366.434	0.657	1	5		FCBFRO
[NH3+]CCN1CCN2C(=O)CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]12	ZINC000061947645	136132772	/nfs/dbraw/zinc/13/27/72/136132772.db2.gz	RQFAPQSYHKEZIH-CYBMUJFWSA-N	1	0	373.335	0.863	3	5		FCBFRO
CC[N+]1(C)CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000028001035	717115328	/nfs/dbraw/zinc/11/53/28/717115328.db2.gz	DGCABUGXYLZUDJ-HSLMYDHPSA-O	1	0	356.468	0.701	1	5		FCBFRO
C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CC[N+]3(C)CC[C@@H](OC1=O)[C@]23O	ZINC000238759683	717162725	/nfs/dbraw/zinc/16/27/25/717162725.db2.gz	YLPHOAABCKQOPS-CWSIPQRUSA-N	1	0	368.450	0.737	1	5		FCBFRO
COCCOCCOCC[N@@+]1(C)CCC[C@H]1COCCOCCOC	ZINC000253632974	717166244	/nfs/dbraw/zinc/16/62/44/717166244.db2.gz	JUHJPSJIJNDQFK-RBUKOAKNSA-N	1	0	364.503	0.955	1	5		FCBFRO
CC[N@+]1(C)CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000253636920	717166361	/nfs/dbraw/zinc/16/63/61/717166361.db2.gz	DGCABUGXYLZUDJ-HXPMCKFVSA-O	1	0	356.468	0.701	1	5		FCBFRO
COCCOCCOCC[N+]1(C)CCC[C@H]1COCCOCCOC	ZINC000006519777	207143748	/nfs/dbraw/zinc/14/37/48/207143748.db2.gz	JUHJPSJIJNDQFK-OYKVQYDMSA-N	1	0	364.503	0.955	1	5		FCBFRO
CC[N@@+]1(C)CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000253636915	717166345	/nfs/dbraw/zinc/16/63/45/717166345.db2.gz	DGCABUGXYLZUDJ-BLVKFPJESA-O	1	0	356.468	0.701	1	5		FCBFRO
CC[N@+]1(C)CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000253636919	717166208	/nfs/dbraw/zinc/16/62/08/717166208.db2.gz	DGCABUGXYLZUDJ-CWTRNNRKSA-O	1	0	356.468	0.701	1	5		FCBFRO
COCCOCCOCC[N+]1(C)CCC[C@@H]1COCCOCCOC	ZINC000006519764	717104614	/nfs/dbraw/zinc/10/46/14/717104614.db2.gz	JUHJPSJIJNDQFK-MRTLOADZSA-N	1	0	364.503	0.955	1	5		FCBFRO
CN(CC[NH+](C)C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)C1	ZINC000061923701	212028455	/nfs/dbraw/zinc/02/84/55/212028455.db2.gz	CGBHHOIJSDRVDE-HNNXBMFYSA-N	1	0	356.448	0.602	3	5		FCBFRO
NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12	ZINC000027868436	581101602	/nfs/dbraw/zinc/10/16/02/581101602.db2.gz	UFMMBBOEVACJSX-MNOVXSKESA-N	1	0	361.358	0.258	1	5		FCBFRO
COCCOCCOCC[N@+]1(C)CCC[C@@H]1COCCOCCOC	ZINC000253632971	717166449	/nfs/dbraw/zinc/16/64/49/717166449.db2.gz	JUHJPSJIJNDQFK-MOPGFXCFSA-N	1	0	364.503	0.955	1	5		FCBFRO
CN(CC[NH+](C)C)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)C1	ZINC000061923700	212027981	/nfs/dbraw/zinc/02/79/81/212027981.db2.gz	CGBHHOIJSDRVDE-OAHLLOKOSA-N	1	0	356.448	0.602	3	5		FCBFRO
CC[N+]1(C)CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000028001033	211476269	/nfs/dbraw/zinc/47/62/69/211476269.db2.gz	DGCABUGXYLZUDJ-ISGGMURCSA-O	1	0	356.468	0.701	1	5		FCBFRO
CC[N@@+]1(C)CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	ZINC000253636918	717166353	/nfs/dbraw/zinc/16/63/53/717166353.db2.gz	DGCABUGXYLZUDJ-BUXKBTBVSA-O	1	0	356.468	0.701	1	5		FCBFRO
C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O	ZINC000033573458	717121059	/nfs/dbraw/zinc/12/10/59/717121059.db2.gz	SRADQUKTDOQMGD-VQZMEBAHSA-N	1	0	366.434	0.657	1	5		FCBFRO
COCCOCCOCC[N@+]1(C)CCC[C@H]1COCCOCCOC	ZINC000253632973	717166191	/nfs/dbraw/zinc/16/61/91/717166191.db2.gz	JUHJPSJIJNDQFK-OALUTQOASA-N	1	0	364.503	0.955	1	5		FCBFRO
COCCOCCOCC[N@@+]1(C)CCC[C@@H]1COCCOCCOC	ZINC000253632976	717166374	/nfs/dbraw/zinc/16/63/74/717166374.db2.gz	JUHJPSJIJNDQFK-RTBURBONSA-N	1	0	364.503	0.955	1	5		FCBFRO
C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O	ZINC000005132686	717098309	/nfs/dbraw/zinc/09/83/09/717098309.db2.gz	SRADQUKTDOQMGD-YOEBTBIFSA-N	1	0	366.434	0.657	1	5		FCBFRO
C/C=C1\C[C@@H](C)[C@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@]23O	ZINC000085856855	717137404	/nfs/dbraw/zinc/13/74/04/717137404.db2.gz	SRADQUKTDOQMGD-IYVGIERTSA-N	1	0	366.434	0.657	1	5		FCBFRO