smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@H](O)CN(CCO)CCO)c2ccccc2)cc1	ZINC000002200392	569192376	/nfs/dbraw/zinc/19/23/76/569192376.db2.gz	UYVLOINTTVJIQY-GOSISDBHSA-N	0	3	439.490	0.438	50	5		ICBAHN
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCO)CCO)c2ccccc2)cc1	ZINC000002200394	569192373	/nfs/dbraw/zinc/19/23/73/569192373.db2.gz	UYVLOINTTVJIQY-SFHVURJKSA-N	0	3	439.490	0.438	50	5		ICBAHN
NC(=O)C1(N2CCCCC2)CCN(c2ccc(N3C(=O)COCC3=O)cc2[N+](=O)[O-])CC1	ZINC000004574416	132272383	/nfs/dbraw/zinc/27/23/83/132272383.db2.gz	IOCZVROZWMSQQR-UHFFFAOYSA-N	0	3	445.476	0.795	50	5		ICBAHN
CN(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@H]12	ZINC000035870446	521779738	/nfs/dbraw/zinc/77/97/38/521779738.db2.gz	MSLKGJWOVVFPGZ-IEBWSBKVSA-N	0	3	425.493	0.930	50	5		ICBAHN
CN(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@H]12	ZINC000035870447	521782673	/nfs/dbraw/zinc/78/26/73/521782673.db2.gz	MSLKGJWOVVFPGZ-PKOBYXMFSA-N	0	3	425.493	0.930	50	5		ICBAHN
CN1CCN([C@@H]2CCCCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1	ZINC000089382613	568921491	/nfs/dbraw/zinc/92/14/91/568921491.db2.gz	BHBGOCSXXPXPFB-QGZVFWFLSA-N	0	3	431.493	0.949	50	5		ICBAHN
CN1CCN([C@H]2CCCCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1	ZINC000089382615	568921310	/nfs/dbraw/zinc/92/13/10/568921310.db2.gz	BHBGOCSXXPXPFB-KRWDZBQOSA-N	0	3	431.493	0.949	50	5		ICBAHN
CN(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@@H]12	ZINC000169677383	568989662	/nfs/dbraw/zinc/98/96/62/568989662.db2.gz	MSLKGJWOVVFPGZ-MJGOQNOKSA-N	0	3	425.493	0.930	50	5		ICBAHN
CN(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@@H]12	ZINC000169677384	568989771	/nfs/dbraw/zinc/98/97/71/568989771.db2.gz	MSLKGJWOVVFPGZ-HKUYNNGSSA-N	0	3	425.493	0.930	50	5		ICBAHN