smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769248	557441501	/nfs/dbraw/zinc/44/15/01/557441501.db2.gz	CNJHWVPMGDJLNI-FUHWJXTLSA-N	-2	3	426.816	2.880	40	5		IFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000016682629	568937321	/nfs/dbraw/zinc/93/73/21/568937321.db2.gz	QLVUYWXSVLLTJQ-WBVHZDCISA-N	-2	3	442.815	2.546	40	5		IFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000016682630	568937464	/nfs/dbraw/zinc/93/74/64/568937464.db2.gz	QLVUYWXSVLLTJQ-RDJZCZTQSA-N	-2	3	442.815	2.546	40	5		IFBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769292	557441424	/nfs/dbraw/zinc/44/14/24/557441424.db2.gz	OOYCQVXADWPACX-WMZOPIPTSA-N	-2	3	426.816	2.880	40	5		IFBBHL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1[O-]	ZINC000409335771	556636919	/nfs/dbraw/zinc/63/69/19/556636919.db2.gz	ZJPWGIVPDDCZED-ARJAWSKDSA-N	-3	3	445.169	2.675	40	5		IFBBHL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)[O-])n[n-]1	ZINC000408632605	557422684	/nfs/dbraw/zinc/42/26/84/557422684.db2.gz	RVKIGLWBPWWTBY-FOWTUZBSSA-N	-2	3	432.506	2.635	40	5		IFBBHL
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769244	557441492	/nfs/dbraw/zinc/44/14/92/557441492.db2.gz	CNJHWVPMGDJLNI-AEFFLSMTSA-N	-2	3	426.816	2.880	40	5		IFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100942492	557203165	/nfs/dbraw/zinc/20/31/65/557203165.db2.gz	QLVUYWXSVLLTJQ-NVXWUHKLSA-N	-2	3	442.815	2.546	40	5		IFBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000059416456	569461260	/nfs/dbraw/zinc/46/12/60/569461260.db2.gz	OOYCQVXADWPACX-SJLPKXTDSA-N	-2	3	426.816	2.880	40	5		IFBBHL
O=[N+]([O-])c1cc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1[O-]	ZINC000035570624	526796877	/nfs/dbraw/zinc/79/68/77/526796877.db2.gz	HRSWXPBHQXZLBK-CKEIUWERSA-N	-2	3	441.387	2.569	40	5		IFBBHL
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(I)c1[O-]	ZINC000409309961	557056941	/nfs/dbraw/zinc/05/69/41/557056941.db2.gz	OOAQCLTUKGNXMW-ARJAWSKDSA-N	-2	3	445.169	2.675	40	5		IFBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769300	557441524	/nfs/dbraw/zinc/44/15/24/557441524.db2.gz	OOYCQVXADWPACX-FUHWJXTLSA-N	-2	3	426.816	2.880	40	5		IFBBHL
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c1	ZINC000020451938	527388207	/nfs/dbraw/zinc/38/82/07/527388207.db2.gz	OZSVAYHWVVYMKV-UHFFFAOYSA-N	-2	3	448.482	2.733	40	5		IFBBHL
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000059416436	569461281	/nfs/dbraw/zinc/46/12/81/569461281.db2.gz	CNJHWVPMGDJLNI-SJLPKXTDSA-N	-2	3	426.816	2.880	40	5		IFBBHL
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769241	557441534	/nfs/dbraw/zinc/44/15/34/557441534.db2.gz	CNJHWVPMGDJLNI-WMZOPIPTSA-N	-2	3	426.816	2.880	40	5		IFBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769296	557441552	/nfs/dbraw/zinc/44/15/52/557441552.db2.gz	OOYCQVXADWPACX-AEFFLSMTSA-N	-2	3	426.816	2.880	40	5		IFBBHL
O=[N+]([O-])c1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1[O-]	ZINC000170591596	569140804	/nfs/dbraw/zinc/14/08/04/569140804.db2.gz	HRSWXPBHQXZLBK-CPUCHLNUSA-N	-2	3	441.387	2.569	40	5		IFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100942496	557203079	/nfs/dbraw/zinc/20/30/79/557203079.db2.gz	QLVUYWXSVLLTJQ-DOTOQJQBSA-N	-2	3	442.815	2.546	40	5		IFBBHL
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1	ZINC000020041066	569332769	/nfs/dbraw/zinc/33/27/69/569332769.db2.gz	XKWBCCZWFJFZCG-UHFFFAOYSA-N	-2	3	448.482	2.733	40	5		IFBBHL
O=[N+]([O-])c1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1[O-]	ZINC000035570618	526797790	/nfs/dbraw/zinc/79/77/90/526797790.db2.gz	HRSWXPBHQXZLBK-JKIFEVAISA-N	-2	3	441.387	2.569	40	5		IFBBHL
O=[N+]([O-])c1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1[O-]	ZINC000170591597	569140838	/nfs/dbraw/zinc/14/08/38/569140838.db2.gz	HRSWXPBHQXZLBK-KEYYUXOJSA-N	-2	3	441.387	2.569	40	5		IFBBHL