smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc([O-])c(I)c1	ZINC000408691990	556094179	/nfs/dbraw/zinc/09/41/79/556094179.db2.gz	APCSQMFIOAMPSJ-YRNVUSSQSA-N	-2	3	426.210	2.401	40	10		IECBHL
CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409093000	556949282	/nfs/dbraw/zinc/94/92/82/556949282.db2.gz	YKSHGPDQHNVDAR-WUXMJOGZSA-N	-2	3	443.275	2.418	40	10		IECBHL
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc([O-])c(I)c1	ZINC000409241172	557031611	/nfs/dbraw/zinc/03/16/11/557031611.db2.gz	RVAWFLJSEPXYKK-IZZDOVSWSA-N	-2	3	435.177	2.058	40	10		IECBHL
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)C1=CC1=C(C)NN(c2cccc(C(=O)[O-])c2)[C@H]1O	ZINC000072336281	568783412	/nfs/dbraw/zinc/78/34/12/568783412.db2.gz	KJOHCUUKUGNRED-FJZBCQJGSA-N	-2	3	448.435	2.349	40	10		IECBHL
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc([O-])c(I)c1	ZINC000409391822	557096446	/nfs/dbraw/zinc/09/64/46/557096446.db2.gz	JXDOTODDPYBQFO-YRNVUSSQSA-N	-2	3	435.177	2.058	40	10		IECBHL
O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1	ZINC000170620752	557217288	/nfs/dbraw/zinc/21/72/88/557217288.db2.gz	KINCSDVYYXRSBG-KEYYUXOJSA-N	-2	3	425.319	2.404	40	10		IECBHL
O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1	ZINC000019863654	556934257	/nfs/dbraw/zinc/93/42/57/556934257.db2.gz	KINCSDVYYXRSBG-GRDNDAEWSA-N	-2	3	425.319	2.404	40	10		IECBHL
O=C([O-])COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2[O-])C1=O	ZINC000016930004	563021126	/nfs/dbraw/zinc/02/11/26/563021126.db2.gz	DXLCXHQXAACTLK-DHDCSXOGSA-N	-2	3	430.463	2.402	40	10		IECBHL
CN1C(=O)[N-]C(=O)C(=CNc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1=O	ZINC000408526929	555716288	/nfs/dbraw/zinc/71/62/88/555716288.db2.gz	CRSOPPUUWYVFFF-XNTDXEJSSA-N	-2	3	434.861	2.145	40	10		IECBHL
O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1	ZINC000019863646	556934128	/nfs/dbraw/zinc/93/41/28/556934128.db2.gz	KINCSDVYYXRSBG-ZQIUZPCESA-N	-2	3	425.319	2.404	40	10		IECBHL
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)C1=CC1=C(C)NN(c2cccc(C(=O)[O-])c2)[C@@H]1O	ZINC000072336282	568783341	/nfs/dbraw/zinc/78/33/41/568783341.db2.gz	KJOHCUUKUGNRED-DEWISIQVSA-N	-2	3	448.435	2.349	40	10		IECBHL
O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1	ZINC000036083122	556592635	/nfs/dbraw/zinc/59/26/35/556592635.db2.gz	KINCSDVYYXRSBG-JKIFEVAISA-N	-2	3	425.319	2.404	40	10		IECBHL