smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)c(-c3ccccc3)[nH]2)cc1	ZINC000000862043	219333196	/nfs/dbraw/zinc/33/31/96/219333196.db2.gz	WKQIXWOVPHNRGK-UHFFFAOYSA-N	0	1	371.396	5.328	50	5		FKBAMN
COc1ccc(-c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)cc1	ZINC000001147452	571147475	/nfs/dbraw/zinc/14/74/75/571147475.db2.gz	CYRANADVKFBXNT-UHFFFAOYSA-N	0	1	371.396	5.328	50	5		FKBAMN
O=[N+]([O-])c1ccc(-c2nc(-c3cccc(F)c3)[nH]c2-c2ccccc2)cc1	ZINC000001156675	571147634	/nfs/dbraw/zinc/14/76/34/571147634.db2.gz	YXHGKBCNRLOUDR-UHFFFAOYSA-N	0	1	359.360	5.458	50	5		FKBAMN
COc1ccc(-c2[nH]c(-c3ccccc3[N+](=O)[O-])nc2-c2ccccc2)cc1	ZINC000001195093	210333341	/nfs/dbraw/zinc/33/33/41/210333341.db2.gz	VWOMWKHGVBMUNZ-UHFFFAOYSA-N	0	1	371.396	5.328	50	5		FKBAMN
Cc1ccc(-c2nc(-c3ccccc3[N+](=O)[O-])[nH]c2-c2ccccc2)cc1C	ZINC000001195346	571165543	/nfs/dbraw/zinc/16/55/43/571165543.db2.gz	ACFHAHPHMGYLEW-UHFFFAOYSA-N	0	1	369.424	5.936	50	5		FKBAMN
O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccccc2)[nH]1	ZINC000001195660	219387588	/nfs/dbraw/zinc/38/75/88/219387588.db2.gz	AYJQMDHGYFCQOA-UHFFFAOYSA-N	0	1	359.360	5.458	50	5		FKBAMN
COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)[nH]2)cc1	ZINC000001233431	219391894	/nfs/dbraw/zinc/39/18/94/219391894.db2.gz	FDVSWSMMZQWOOR-UHFFFAOYSA-N	0	1	371.396	5.328	50	5		FKBAMN
Cc1ccc(-c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1	ZINC000002274729	209396309	/nfs/dbraw/zinc/39/63/09/209396309.db2.gz	RUORQNFYZUCKBN-UHFFFAOYSA-N	0	1	355.397	5.627	50	5		FKBAMN
Cc1ccc2nc(SCc3cc(=O)oc4ccc5ccccc5c34)[nH]c2c1	ZINC000002657076	571340208	/nfs/dbraw/zinc/34/02/08/571340208.db2.gz	YHNNNAXGRJUFNK-UHFFFAOYSA-N	0	1	372.449	5.423	50	5		FKBAMN
O=c1c2cc3ccccc3cc2[nH]c(=S)n1CCc1ccccc1Cl	ZINC000002974089	571343100	/nfs/dbraw/zinc/34/31/00/571343100.db2.gz	CMSZSBAKIPBFIG-UHFFFAOYSA-N	0	1	366.873	5.108	50	5		FKBAMN
O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc1	ZINC000003669081	571352118	/nfs/dbraw/zinc/35/21/18/571352118.db2.gz	XRHYYAKJAHXIPF-UHFFFAOYSA-N	0	1	359.360	5.458	50	5		FKBAMN
Cc1cc(Br)cc(C)c1-c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000004017748	571204080	/nfs/dbraw/zinc/20/40/80/571204080.db2.gz	HSYANTBCRYYOJG-UHFFFAOYSA-N	0	1	372.222	5.031	50	5		FKBAMN
O=c1c2ccc3oc4ccccc4c4ccc(c(O)c1-c1ccccc1)c2c34	ZINC000004577672	207028841	/nfs/dbraw/zinc/02/88/41/207028841.db2.gz	FNDLHGVNELJUOG-UHFFFAOYSA-N	0	1	362.384	6.063	50	5		FKBAMN
O=c1c2ccc3c4ccccc4oc4ccc(c(O)c1-c1ccccc1)c2c43	ZINC000004577672	207028837	/nfs/dbraw/zinc/02/88/37/207028837.db2.gz	FNDLHGVNELJUOG-UHFFFAOYSA-N	0	1	362.384	6.063	50	5		FKBAMN
CCCCc1ccc(NC(=O)c2cc3ccccc3cc2O)c([N+](=O)[O-])c1	ZINC000004603731	204150765	/nfs/dbraw/zinc/15/07/65/204150765.db2.gz	NOUUKKFMJGUMLW-UHFFFAOYSA-N	0	1	364.401	5.049	50	5		FKBAMN
Cc1ccc(-c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)cc1	ZINC000004816283	207051068	/nfs/dbraw/zinc/05/10/68/207051068.db2.gz	MPNVQVKIQBQRIJ-UHFFFAOYSA-N	0	1	355.397	5.627	50	5		FKBAMN
CCOC(=O)[C@@H]1CCCCN1Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000004988687	570616617	/nfs/dbraw/zinc/61/66/17/570616617.db2.gz	WHDXTPVDUVYIAH-QFIPXVFZSA-N	0	1	371.480	5.502	50	5		FKBAMN
CCOC(=O)[C@H]1CCCCN1Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000004988689	570616690	/nfs/dbraw/zinc/61/66/90/570616690.db2.gz	WHDXTPVDUVYIAH-JOCHJYFZSA-N	0	1	371.480	5.502	50	5		FKBAMN
Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(F)cc2)[nH]c1-c1ccccc1	ZINC000005126001	219652772	/nfs/dbraw/zinc/65/27/72/219652772.db2.gz	MYDBSCCWKVGNSF-UHFFFAOYSA-N	0	1	373.387	5.766	50	5		FKBAMN
Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccccc2F)[nH]c1-c1ccccc1	ZINC000005126002	204193550	/nfs/dbraw/zinc/19/35/50/204193550.db2.gz	KHLGCJKYLBLITG-UHFFFAOYSA-N	0	1	373.387	5.766	50	5		FKBAMN
COc1ccc(-c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1	ZINC000005454081	570658106	/nfs/dbraw/zinc/65/81/06/570658106.db2.gz	ZDAATXNUKYSETQ-UHFFFAOYSA-N	0	1	371.396	5.328	50	5		FKBAMN
Cc1cc(NCCNc2ccc(Cl)cc2)c2ccc3ccccc3c2n1	ZINC000005796819	207118220	/nfs/dbraw/zinc/11/82/20/207118220.db2.gz	VRIVQXBYGZMVEE-UHFFFAOYSA-N	0	1	361.876	5.296	50	5		FKBAMN
Cc1ccc(NCCNc2cc(C)nc3c4ccccc4ccc23)c(C)c1	ZINC000005797169	207117739	/nfs/dbraw/zinc/11/77/39/207117739.db2.gz	GLBAZZLQWDBECH-UHFFFAOYSA-N	0	1	355.485	5.259	50	5		FKBAMN
CN(Cc1cccc(Cl)c1)Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000058167075	571126629	/nfs/dbraw/zinc/12/66/29/571126629.db2.gz	TVZKXSHRBIMPHP-UHFFFAOYSA-N	0	1	363.844	5.232	50	5		FKBAMN
O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@H]2CCc3ccccc32)o1	ZINC000084581888	571091125	/nfs/dbraw/zinc/09/11/25/571091125.db2.gz	FZWQGLOSJRXHOS-SFHVURJKSA-N	0	1	368.820	5.285	50	5		FKBAMN
O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@@H]2CCc3ccccc32)o1	ZINC000084581889	571090975	/nfs/dbraw/zinc/09/09/75/571090975.db2.gz	FZWQGLOSJRXHOS-GOSISDBHSA-N	0	1	368.820	5.285	50	5		FKBAMN