smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)N1	ZINC000409041642	534784942	/nfs/dbraw/zinc/78/49/42/534784942.db2.gz	KGMKTWYSCXXENL-FLIBITNWSA-N	0	1	318.289	0.612	40	5		DCBBMN
COC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1	ZINC000032256875	134680737	/nfs/dbraw/zinc/68/07/37/134680737.db2.gz	BZCIAEATWKPKCM-GFCCVEGCSA-N	0	1	310.354	0.306	40	5		DCBBMN
O=C(CN1C(=O)CSC1=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000008390780	395684576	/nfs/dbraw/zinc/68/45/76/395684576.db2.gz	OOWRSPYFTWMUBD-UHFFFAOYSA-N	0	1	311.275	0.934	40	5		DCBBMN
CCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000001473251	395680913	/nfs/dbraw/zinc/68/09/13/395680913.db2.gz	WGISUMVTKPEQFJ-ZDUSSCGKSA-N	0	1	309.366	0.972	40	5		DCBBMN
COC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1	ZINC000032256874	395709814	/nfs/dbraw/zinc/70/98/14/395709814.db2.gz	BZCIAEATWKPKCM-LBPRGKRZSA-N	0	1	310.354	0.306	40	5		DCBBMN
CNc1ncnc(Sc2nc(N)nc3[nH]cnc32)c1[N+](=O)[O-]	ZINC000008565029	395684806	/nfs/dbraw/zinc/68/48/06/395684806.db2.gz	URIYRDCSAYRGKI-UHFFFAOYSA-N	0	1	319.310	0.826	40	5	in-vitro	DCBBMN
CCN1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000001473254	395680873	/nfs/dbraw/zinc/68/08/73/395680873.db2.gz	PQQUDVDKLTZLEZ-CQSZACIVSA-N	0	1	309.366	0.972	40	5		DCBBMN
CCN1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000001473253	395680910	/nfs/dbraw/zinc/68/09/10/395680910.db2.gz	PQQUDVDKLTZLEZ-AWEZNQCLSA-N	0	1	309.366	0.972	40	5		DCBBMN
Cc1c(C(=O)NCCN2CCN(C)CC2)cccc1[N+](=O)[O-]	ZINC000013632308	395688785	/nfs/dbraw/zinc/68/87/85/395688785.db2.gz	LVIQIXNELDBSCA-UHFFFAOYSA-N	0	1	306.366	0.880	40	5		DCBBMN
Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000022914044	182341145	/nfs/dbraw/zinc/34/11/45/182341145.db2.gz	IASHZVFSPKEJBM-UHFFFAOYSA-N	0	1	306.366	0.880	40	5		DCBBMN
CCCN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c32)CC1	ZINC000005339779	415134913	/nfs/dbraw/zinc/13/49/13/415134913.db2.gz	YUXYRWBLHMZNFB-UHFFFAOYSA-N	0	1	307.310	0.901	40	5		DCBBMN
O=[N+]([O-])c1ccc(-n2ncc(-c3nn[nH]n3)n2)c([N+](=O)[O-])c1	ZINC000016385893	415155059	/nfs/dbraw/zinc/15/50/59/415155059.db2.gz	ZNDXTGURLNGMCD-UHFFFAOYSA-N	0	1	303.198	0.264	40	5		DCBBMN
CCCC[N@@H+]1C[C@@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@@]([N+](=O)[O-])(C1)C2	ZINC000015304005	415148471	/nfs/dbraw/zinc/14/84/71/415148471.db2.gz	QKFINPPWOFXKNK-OLZOCXBDSA-N	0	1	313.310	0.938	40	5		DCBBMN
CCCC[N@H+]1C[C@@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@@]([N+](=O)[O-])(C1)C2	ZINC000015304005	415148479	/nfs/dbraw/zinc/14/84/79/415148479.db2.gz	QKFINPPWOFXKNK-OLZOCXBDSA-N	0	1	313.310	0.938	40	5		DCBBMN
Cc1cc(C(=O)NCCN2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000013673500	395688816	/nfs/dbraw/zinc/68/88/16/395688816.db2.gz	QXDWVFSFULNWJR-UHFFFAOYSA-N	0	1	306.366	0.880	40	5		DCBBMN
COC(=O)CN1C(=O)N/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O	ZINC000408549108	533502051	/nfs/dbraw/zinc/50/20/51/533502051.db2.gz	PFPRZWNPKKMZFL-WEVVVXLNSA-N	0	1	321.245	0.366	40	5		DCBBMN
CCCC[N@@H+]1C[C@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@]([N+](=O)[O-])(C1)C2	ZINC000004614389	415130908	/nfs/dbraw/zinc/13/09/08/415130908.db2.gz	QKFINPPWOFXKNK-QWHCGFSZSA-N	0	1	313.310	0.938	40	5		DCBBMN
CCCC[N@H+]1C[C@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@]([N+](=O)[O-])(C1)C2	ZINC000004614389	415130915	/nfs/dbraw/zinc/13/09/15/415130915.db2.gz	QKFINPPWOFXKNK-QWHCGFSZSA-N	0	1	313.310	0.938	40	5		DCBBMN
CCn1ccc2nc3ccn(-c4nnc[nH]4)c(=O)c3cc2c1=O	ZINC000040372865	415196560	/nfs/dbraw/zinc/19/65/60/415196560.db2.gz	DNZKLCWDKXMUAK-UHFFFAOYSA-N	0	1	308.301	0.839	40	5		DCBBMN
CCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000001473252	395680996	/nfs/dbraw/zinc/68/09/96/395680996.db2.gz	WGISUMVTKPEQFJ-CYBMUJFWSA-N	0	1	309.366	0.972	40	5		DCBBMN