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(CCCc1ccccc1)Sc1nc2ccc([N+](=O)[O-])cc2[n-]1	ZINC000005729014	564024030	/nfs/dbraw/zinc/02/40/30/564024030.db2.gz	AABYZWQGGSJVFY-UHFFFAOYSA-N	-1	3	341.392	4.113	40	5		EIBBHM
O=C(CCCc1ccccc1)Sc1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000005729014	564024031	/nfs/dbraw/zinc/02/40/31/564024031.db2.gz	AABYZWQGGSJVFY-UHFFFAOYSA-N	-1	3	341.392	4.113	40	5		EIBBHM
O=C(Sc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1Cl	ZINC000019142126	564136419	/nfs/dbraw/zinc/13/64/19/564136419.db2.gz	OTKJNGCQVWGFQB-UHFFFAOYSA-N	-1	3	333.756	4.057	40	5		EIBBHM
O=C(Sc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1Cl	ZINC000019142126	564136420	/nfs/dbraw/zinc/13/64/20/564136420.db2.gz	OTKJNGCQVWGFQB-UHFFFAOYSA-N	-1	3	333.756	4.057	40	5		EIBBHM
O=C([N-]c1nccs1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000057315587	564153517	/nfs/dbraw/zinc/15/35/17/564153517.db2.gz	IKPFHGQMBFLDMS-UHFFFAOYSA-N	-1	3	339.785	4.172	40	5		EIBBHM
Cc1ccc([N-]c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl	ZINC000066251730	564134475	/nfs/dbraw/zinc/13/44/75/564134475.db2.gz	JYCNWQGNEJYDQS-UHFFFAOYSA-N	-1	3	330.731	4.350	40	5	in-vitro	EIBBHM
CSc1ccccc1[N-]C(=O)c1coc2ccc([N+](=O)[O-])cc12	ZINC000408968489	257885106	/nfs/dbraw/zinc/88/51/06/257885106.db2.gz	ZNPFTQMEWMMIBM-UHFFFAOYSA-N	-1	3	328.349	4.315	40	5		EIBBHM
O=[N+]([O-])c1ccc([N-]c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1	ZINC000005589400	564005924	/nfs/dbraw/zinc/00/59/24/564005924.db2.gz	BWLXTFDOGLGYMF-UHFFFAOYSA-N	-1	3	327.218	4.265	40	5		EIBBHM
CC1(C)C=Cc2c(cc([O-])c3c(=O)c4cc(Cl)ccc4[nH]c23)O1	ZINC000005762816	563549437	/nfs/dbraw/zinc/54/94/37/563549437.db2.gz	DODZZNFJJYOJMN-UHFFFAOYSA-N	-1	3	327.767	4.225	40	5		EIBBHM
O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1c(Cl)cccc1Cl	ZINC000005567382	564005566	/nfs/dbraw/zinc/00/55/66/564005566.db2.gz	ANOWLSXUIDNTDT-UHFFFAOYSA-N	-1	3	329.114	4.293	40	5		EIBBHM
COc1cc(C(c2ccc(C)o2)c2ccc(C)o2)c([O-])cc1[N+](=O)[O-]	ZINC000003846772	564159499	/nfs/dbraw/zinc/15/94/99/564159499.db2.gz	RHLXLFKKFUPUHU-UHFFFAOYSA-N	-1	3	343.335	4.292	40	5		EIBBHM
O=[N+]([O-])c1ccccc1-c1nc(SCc2ccccc2Cl)n[n-]1	ZINC000000036136	563967484	/nfs/dbraw/zinc/96/74/84/563967484.db2.gz	ZLGGGMDXWFKUAS-UHFFFAOYSA-N	-1	3	346.799	4.326	40	5		EIBBHM
O=C(Sc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccc(Cl)cc1	ZINC000006188172	564079226	/nfs/dbraw/zinc/07/92/26/564079226.db2.gz	KXSDEXHJNMFTLB-UHFFFAOYSA-N	-1	3	333.756	4.057	40	5		EIBBHM
O=C(Sc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccc(Cl)cc1	ZINC000006188172	564079227	/nfs/dbraw/zinc/07/92/27/564079227.db2.gz	KXSDEXHJNMFTLB-UHFFFAOYSA-N	-1	3	333.756	4.057	40	5		EIBBHM