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(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1)N1CCOCC1	ZINC000009295536	571245879	/nfs/dbraw/zinc/24/58/79/571245879.db2.gz	JAFZQBDWPUORQO-ZZXKWVIFSA-N	-1	1	402.363	0.792	50	5		HCBAMM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccn4)C[C@H]32)C(=O)N1	ZINC000009302851	132338220	/nfs/dbraw/zinc/33/82/20/132338220.db2.gz	KDOVSKBCUZRSDY-HNNXBMFYSA-N	-1	1	422.401	0.594	50	5		HCBAMM
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000009348721	535549210	/nfs/dbraw/zinc/54/92/10/535549210.db2.gz	QENNDIHQKKQBCK-YGRLFVJLSA-N	-1	1	416.390	0.651	50	5		HCBAMM
CCOC(=O)[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000009348722	132338949	/nfs/dbraw/zinc/33/89/49/132338949.db2.gz	QENNDIHQKKQBCK-HZMBPMFUSA-N	-1	1	416.390	0.651	50	5		HCBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000009446763	535779382	/nfs/dbraw/zinc/77/93/82/535779382.db2.gz	CBZFVBWEOFIKJM-ZDUSSCGKSA-N	-1	1	417.378	0.150	50	5		HCBAMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000014229444	559160902	/nfs/dbraw/zinc/16/09/02/559160902.db2.gz	ALLODWVGGUOZOO-UHFFFAOYSA-N	-1	1	410.383	0.569	50	5		HCBAMM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1	ZINC000014237330	559161307	/nfs/dbraw/zinc/16/13/07/559161307.db2.gz	XWNDWIQZTHQOAT-UHFFFAOYSA-N	-1	1	406.420	0.738	50	5		HCBAMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000015604358	558745857	/nfs/dbraw/zinc/74/58/57/558745857.db2.gz	CMCYRJTZFZUDBU-UHFFFAOYSA-N	-1	1	410.383	0.569	50	5		HCBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2C1	ZINC000016956673	569268315	/nfs/dbraw/zinc/26/83/15/569268315.db2.gz	CBZFVBWEOFIKJM-CYBMUJFWSA-N	-1	1	417.378	0.150	50	5		HCBAMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000024834368	568469841	/nfs/dbraw/zinc/46/98/41/568469841.db2.gz	JUSFTSSVRGWQJR-UHFFFAOYSA-N	-1	1	410.383	0.569	50	5		HCBAMM
O=c1nc2n(CCN(CCO)CCO)c3cc(Cl)c(Cl)cc3nc-2c(=O)[n-]1	ZINC000031947207	569012722	/nfs/dbraw/zinc/01/27/22/569012722.db2.gz	GKYCCOBALDWOCX-UHFFFAOYSA-N	-1	1	414.249	0.590	50	5		HCBAMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCS(=O)(=O)[N-]c1ccccn1	ZINC000072314012	571308294	/nfs/dbraw/zinc/30/82/94/571308294.db2.gz	SVHNZIBMRQMGSH-UHFFFAOYSA-N	-1	1	420.856	1.363	50	5		HCBAMM
CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@H]32)C1=O	ZINC000230038680	568803321	/nfs/dbraw/zinc/80/33/21/568803321.db2.gz	LKOYTYUHBYDIHR-KXBFYZLASA-N	-1	1	401.423	0.746	50	5		HCBAMM
CCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@H]32)C1=O	ZINC000230038685	568802988	/nfs/dbraw/zinc/80/29/88/568802988.db2.gz	LKOYTYUHBYDIHR-HNAYVOBHSA-N	-1	1	401.423	0.746	50	5		HCBAMM
CCOC(=O)[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2C1	ZINC000248319357	559270456	/nfs/dbraw/zinc/27/04/56/559270456.db2.gz	QENNDIHQKKQBCK-IINYFYTJSA-N	-1	1	416.390	0.651	50	5		HCBAMM