smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@@H](C)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-]	ZINC000192793183	1047628391	/nfs/dbraw/zinc/62/83/91/1047628391.db2.gz	XNJLAONTLPLMEA-CZUORRHYSA-N	0	1	312.369	4.078	10	5		DIBEMN
Cc1ccc([C@H](C)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-]	ZINC000192793224	1047628406	/nfs/dbraw/zinc/62/84/06/1047628406.db2.gz	XNJLAONTLPLMEA-BBRMVZONSA-N	0	1	312.369	4.078	10	5		DIBEMN
Cc1c([C@@H](C)N[C@@H]2CCOc3ccccc32)cccc1[N+](=O)[O-]	ZINC000178274518	525902185	/nfs/dbraw/zinc/90/21/85/525902185.db2.gz	QRTPWMFFQZUBLA-CZUORRHYSA-N	0	1	312.369	4.078	10	5		DIBEMN
O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCOc3ccccc31)CCC2	ZINC000192607150	527380626	/nfs/dbraw/zinc/38/06/26/527380626.db2.gz	ULSCPFWRDRSALB-ROUUACIJSA-N	0	1	324.380	4.086	10	5		DIBEMN
O=[N+]([O-])c1ccc(C=Cc2ccc(Nc3ccncc3)cc2)cc1	ZINC000584636951	337379366	/nfs/dbraw/zinc/37/93/66/337379366.db2.gz	ZVNHFSVBYXQVOD-OWOJBTEDSA-N	0	1	317.348	4.326	10	5		DIBEMN
O=[N+]([O-])c1cc(CN[C@@H]2CCCc3occc32)ccc1Cl	ZINC000237697999	527331022	/nfs/dbraw/zinc/33/10/22/527331022.db2.gz	NRGSWOWYNWRGSX-CYBMUJFWSA-N	0	1	306.749	4.008	10	5		DIBEMN
O=[N+]([O-])c1cc(CN2CCCCC2)ccc1NC1CCCCC1	ZINC000038526369	183001504	/nfs/dbraw/zinc/00/15/04/183001504.db2.gz	FSGIOMSEKKVQIA-UHFFFAOYSA-N	0	1	317.433	4.325	10	5		DIBEMN
CC[C@H](N[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000090918448	331917852	/nfs/dbraw/zinc/91/78/52/331917852.db2.gz	ZXOCSYGPOQVKAV-IRXDYDNUSA-N	0	1	312.369	4.159	10	5		DIBEMN
Cc1ccccc1[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050443807	334713201	/nfs/dbraw/zinc/71/32/01/334713201.db2.gz	HELWVLPHRKXPGW-LBPRGKRZSA-N	0	1	304.777	4.407	10	5		DIBEMN
Cc1c([C@H](C)N[C@@H]2CCOc3ccccc32)cccc1[N+](=O)[O-]	ZINC000178274528	518186140	/nfs/dbraw/zinc/18/61/40/518186140.db2.gz	QRTPWMFFQZUBLA-XJKSGUPXSA-N	0	1	312.369	4.078	10	5		DIBEMN
Cc1ccc([C@H](C)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-]	ZINC000192793197	1047628179	/nfs/dbraw/zinc/62/81/79/1047628179.db2.gz	XNJLAONTLPLMEA-XJKSGUPXSA-N	0	1	312.369	4.078	10	5		DIBEMN
CC[C@@H](N[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000192794866	336262071	/nfs/dbraw/zinc/26/20/71/336262071.db2.gz	ZXOCSYGPOQVKAV-IAGOWNOFSA-N	0	1	312.369	4.159	10	5		DIBEMN
CC[C@@H](N[C@@H](C)c1cccc(O)c1)c1cccc([N+](=O)[O-])c1	ZINC000192845821	336267891	/nfs/dbraw/zinc/26/78/91/336267891.db2.gz	WGLHVCHGRADCLF-YVEFUNNKSA-N	0	1	300.358	4.102	10	5		DIBEMN
CC[C@H](N[C@H](C)c1cccc(O)c1)c1cccc([N+](=O)[O-])c1	ZINC000192845837	336267915	/nfs/dbraw/zinc/26/79/15/336267915.db2.gz	WGLHVCHGRADCLF-PXAZEXFGSA-N	0	1	300.358	4.102	10	5		DIBEMN
Cc1ccc([C@@H](C)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-]	ZINC000192793213	1047628330	/nfs/dbraw/zinc/62/83/30/1047628330.db2.gz	XNJLAONTLPLMEA-CJNGLKHVSA-N	0	1	312.369	4.078	10	5		DIBEMN
CC[C@H](N[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000090918447	331917899	/nfs/dbraw/zinc/91/78/99/331917899.db2.gz	ZXOCSYGPOQVKAV-DLBZAZTESA-N	0	1	312.369	4.159	10	5		DIBEMN
Cc1ccccc1[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000035368186	331495835	/nfs/dbraw/zinc/49/58/35/331495835.db2.gz	QWTSMWPGHQCBQH-LBPRGKRZSA-N	0	1	304.777	4.407	10	5		DIBEMN
CC[C@@H](N[C@H](C)c1cccc(O)c1)c1cccc([N+](=O)[O-])c1	ZINC000192845851	336268042	/nfs/dbraw/zinc/26/80/42/336268042.db2.gz	WGLHVCHGRADCLF-SJKOYZFVSA-N	0	1	300.358	4.102	10	5		DIBEMN
CC[C@@H](N[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000192794881	336262048	/nfs/dbraw/zinc/26/20/48/336262048.db2.gz	ZXOCSYGPOQVKAV-SJORKVTESA-N	0	1	312.369	4.159	10	5		DIBEMN
CC[C@H](N[C@@H](C)c1cccc(O)c1)c1cccc([N+](=O)[O-])c1	ZINC000192845810	336267879	/nfs/dbraw/zinc/26/78/79/336267879.db2.gz	WGLHVCHGRADCLF-SJCJKPOMSA-N	0	1	300.358	4.102	10	5		DIBEMN
CC[C@@H](N[C@H](C)c1sccc1OC)c1cccc([N+](=O)[O-])c1	ZINC000186187481	522943081	/nfs/dbraw/zinc/94/30/81/522943081.db2.gz	ZLGGCNWSNZOJNE-BXUZGUMPSA-N	0	1	320.414	4.467	10	5		DIBEMN
O=[N+]([O-])c1cc(CN[C@H]2CCCc3occc32)ccc1Cl	ZINC000237700123	527331361	/nfs/dbraw/zinc/33/13/61/527331361.db2.gz	NRGSWOWYNWRGSX-ZDUSSCGKSA-N	0	1	306.749	4.008	10	5		DIBEMN