smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CN1CCCCCC1)Nc1ccnc2c3ccccc3ccc12	ZINC000040384248	213294176	/nfs/dbraw/zinc/29/41/76/213294176.db2.gz	YDSJKBUYKMLJHS-UHFFFAOYSA-N	0	1	333.435	4.203	40	5		EIBBMN
O=[N+]([O-])c1cccc(NNC=Cc2ccc(Br)s2)c1	ZINC000009972245	564134517	/nfs/dbraw/zinc/13/45/17/564134517.db2.gz	DNXVBTNPKWITRD-VOTSOKGWSA-N	0	1	340.202	4.006	40	5		EIBBMN
O=[N+]([O-])c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)c1	ZINC000064874545	257690749	/nfs/dbraw/zinc/69/07/49/257690749.db2.gz	YOQCRHVVIBFRAX-UHFFFAOYSA-N	0	1	334.257	4.066	40	5		EIBBMN
CC(C)(C)c1ccc(-c2nnc3nc4[nH]c5ccccc5c4nn32)cc1	ZINC000261364791	564056102	/nfs/dbraw/zinc/05/61/02/564056102.db2.gz	NRQPHSOUEAIZRJ-UHFFFAOYSA-N	0	1	342.406	4.118	40	5		EIBBMN
COc1cc2nccc(Nc3ccc([N+](=O)[O-])cc3C)c2cc1OC	ZINC000065005293	564099534	/nfs/dbraw/zinc/09/95/34/564099534.db2.gz	RUEXINHGCJJKMG-UHFFFAOYSA-N	0	1	339.351	4.212	40	5		EIBBMN
CC[C@H]1C=C(c2ccc([N+](=O)[O-])cc2)O[C@@H](N2CCCCC2)[C@@H]1C	ZINC000055178341	564134324	/nfs/dbraw/zinc/13/43/24/564134324.db2.gz	UKBFXKYZXNIXTF-ZRGWGRIASA-N	0	1	330.428	4.440	40	5		EIBBMN
O=[N+]([O-])c1cccc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1	ZINC000028831329	564152758	/nfs/dbraw/zinc/15/27/58/564152758.db2.gz	UEABDYLNZOTXBF-UHFFFAOYSA-N	0	1	346.799	4.326	40	5		EIBBMN
O=[N+]([O-])c1ccc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1	ZINC000006883220	564100530	/nfs/dbraw/zinc/10/05/30/564100530.db2.gz	DKWIIGSIVLQFIG-UHFFFAOYSA-N	0	1	346.799	4.326	40	5		EIBBMN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2cc1O	ZINC000005669893	564013118	/nfs/dbraw/zinc/01/31/18/564013118.db2.gz	PEZKNFSSHHVHHC-UHFFFAOYSA-N	0	1	342.738	4.359	40	5		EIBBMN
O=[N+]([O-])c1nc(SOCc2ccccc2)[n-]c1-c1ccccc1	ZINC000001561979	564081635	/nfs/dbraw/zinc/08/16/35/564081635.db2.gz	NYCNQUTZFUXLHZ-UHFFFAOYSA-N	0	1	327.365	4.209	40	5		EIBBMN
O=[N+]([O-])c1nc(SOCc2ccccc2)[nH]c1-c1ccccc1	ZINC000001561979	564081636	/nfs/dbraw/zinc/08/16/36/564081636.db2.gz	NYCNQUTZFUXLHZ-UHFFFAOYSA-N	0	1	327.365	4.209	40	5		EIBBMN
CC[C@H]1C=C(c2ccc([N+](=O)[O-])cc2)O[C@H](N2CCCCC2)[C@@H]1C	ZINC000055178338	214283986	/nfs/dbraw/zinc/28/39/86/214283986.db2.gz	UKBFXKYZXNIXTF-VCBZYWHSSA-N	0	1	330.428	4.440	40	5		EIBBMN
O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1	ZINC000064874544	564134112	/nfs/dbraw/zinc/13/41/12/564134112.db2.gz	UYYPKQNHJXYRHF-UHFFFAOYSA-N	0	1	334.257	4.066	40	5		EIBBMN
O=[N+]([O-])c1ccc(NCCNCc2c(Cl)cccc2Cl)cc1	ZINC000008417997	564165214	/nfs/dbraw/zinc/16/52/14/564165214.db2.gz	HTIPFNMIXRLHPA-UHFFFAOYSA-N	0	1	340.210	4.103	40	5		EIBBMN
CC(=O)c1ccc(Sc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])c1	ZINC000006428428	564086162	/nfs/dbraw/zinc/08/61/62/564086162.db2.gz	HGWRVRIDFACLHL-UHFFFAOYSA-N	0	1	327.365	4.133	40	5		EIBBMN
O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1Cl	ZINC000040169666	213278596	/nfs/dbraw/zinc/27/85/96/213278596.db2.gz	JOSZUTBOJXBAGL-UHFFFAOYSA-N	0	1	335.150	4.354	40	5		EIBBMN
O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccc(Cl)cc3)n2)ccc1Cl	ZINC000040169666	213278599	/nfs/dbraw/zinc/27/85/99/213278599.db2.gz	JOSZUTBOJXBAGL-UHFFFAOYSA-N	0	1	335.150	4.354	40	5		EIBBMN
O=[N+]([O-])c1cccc(CSc2nc(-c3ccccc3Cl)n[nH]2)c1	ZINC000019928187	212085253	/nfs/dbraw/zinc/08/52/53/212085253.db2.gz	LDMUMJVEZRJZGS-UHFFFAOYSA-N	0	1	346.799	4.326	40	5		EIBBMN
O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cl)c3)n[nH]2)ccc1Cl	ZINC000040169664	213278322	/nfs/dbraw/zinc/27/83/22/213278322.db2.gz	NOFQPMJKNYOLMY-UHFFFAOYSA-N	0	1	335.150	4.354	40	5		EIBBMN
O=[N+]([O-])c1cc(-c2n[nH]c(-c3cccc(Cl)c3)n2)ccc1Cl	ZINC000040169664	213278324	/nfs/dbraw/zinc/27/83/24/213278324.db2.gz	NOFQPMJKNYOLMY-UHFFFAOYSA-N	0	1	335.150	4.354	40	5		EIBBMN
O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1	ZINC000064874546	564134107	/nfs/dbraw/zinc/13/41/07/564134107.db2.gz	JYUQRYBKSVNMGK-UHFFFAOYSA-N	0	1	334.257	4.066	40	5		EIBBMN
O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3Cl)n[nH]2)cc1	ZINC000009197977	211051205	/nfs/dbraw/zinc/05/12/05/211051205.db2.gz	URTDETSHSBGDJT-UHFFFAOYSA-N	0	1	346.799	4.326	40	5		EIBBMN