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(C1=NO[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C([O-])=C12)c1cccc2ccccc21	ZINC000100355324	559196510	/nfs/dbraw/zinc/19/65/10/559196510.db2.gz	PRJIOQNROJDCJD-XLIONFOSSA-N	-1	3	415.361	2.875	40	5		HFBBHM
O=C(C1=NO[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C([O-])=C12)c1cccc2ccccc21	ZINC000003848896	568927487	/nfs/dbraw/zinc/92/74/87/568927487.db2.gz	PRJIOQNROJDCJD-FXAWDEMLSA-N	-1	3	415.361	2.875	40	5		HFBBHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]N=C2Nc3ccccc3[C@@H](c3ccccc3)N2)cc1	ZINC000016478527	569053787	/nfs/dbraw/zinc/05/37/87/569053787.db2.gz	BRDDDRQNXCTRKQ-LJQANCHMSA-N	-1	3	423.454	2.758	40	5		HFBBHM
Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c([O-])c1	ZINC000017090583	569274633	/nfs/dbraw/zinc/27/46/33/569274633.db2.gz	UYKFFWFKHOUIHL-UHFFFAOYSA-N	-1	3	416.459	2.572	40	5		HFBBHM
O=C(NC(=S)Nc1ncccc1[O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000408620474	559221728	/nfs/dbraw/zinc/22/17/28/559221728.db2.gz	JGQVBHQCHGEYFY-UHFFFAOYSA-N	-1	3	401.448	2.813	40	5		HFBBHM
O=C(C1=NO[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C([O-])=C12)c1cccc2ccccc21	ZINC000100355321	559196541	/nfs/dbraw/zinc/19/65/41/559196541.db2.gz	PRJIOQNROJDCJD-YLJYHZDGSA-N	-1	3	415.361	2.875	40	5		HFBBHM
COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3[O-])n2)cc1	ZINC000408545019	559217295	/nfs/dbraw/zinc/21/72/95/559217295.db2.gz	MLLVVDKOQNCRPG-UHFFFAOYSA-N	-1	3	401.404	2.825	40	5		HFBBHM
O=C(C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12)c1ccc2ccccc2c1	ZINC000003848917	568927483	/nfs/dbraw/zinc/92/74/83/568927483.db2.gz	RXODAPJODQJMQG-FXAWDEMLSA-N	-1	3	415.361	2.875	40	5		HFBBHM
O=C(C1=NO[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C([O-])=C12)c1cccc2ccccc21	ZINC000100355328	559196543	/nfs/dbraw/zinc/19/65/43/559196543.db2.gz	PRJIOQNROJDCJD-PXNSSMCTSA-N	-1	3	415.361	2.875	40	5		HFBBHM
O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000225084555	569325061	/nfs/dbraw/zinc/32/50/61/569325061.db2.gz	NBOWUNLRKQTYCY-UHFFFAOYSA-N	-1	3	409.807	2.702	40	5		HFBBHM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)ccc1OC	ZINC000010008954	569394873	/nfs/dbraw/zinc/39/48/73/569394873.db2.gz	LIFKRRYIEWJNDL-UHFFFAOYSA-N	-1	3	413.839	2.807	40	5		HFBBHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000408610942	559221562	/nfs/dbraw/zinc/22/15/62/559221562.db2.gz	VFBQQTDRWPLGGD-SNVBAGLBSA-N	-1	3	413.839	2.562	40	5		HFBBHM
O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12)c1ccc2ccccc2c1	ZINC000100355300	559196529	/nfs/dbraw/zinc/19/65/29/559196529.db2.gz	RXODAPJODQJMQG-PXNSSMCTSA-N	-1	3	415.361	2.875	40	5		HFBBHM
CCOC(=O)c1[n-]c(COC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C	ZINC000003158678	568858671	/nfs/dbraw/zinc/85/86/71/568858671.db2.gz	QCHBGGFNWCAMTE-UHFFFAOYSA-N	-1	3	404.375	2.942	40	5		HFBBHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]N=C2Nc3ccccc3[C@H](c3ccccc3)N2)cc1	ZINC000016478530	569053825	/nfs/dbraw/zinc/05/38/25/569053825.db2.gz	BRDDDRQNXCTRKQ-IBGZPJMESA-N	-1	3	423.454	2.758	40	5		HFBBHM
CCOC(=O)c1ccc(-n2[n-]c(N)c(Sc3ccc([N+](=O)[O-])cc3)c2=O)cc1	ZINC000016687850	569070504	/nfs/dbraw/zinc/07/05/04/569070504.db2.gz	HEHABBDFCRJDDA-OAHLLOKOSA-N	-1	3	400.416	2.551	40	5		HFBBHM
CCOC(=O)c1ccc(-n2[n-]c(N)c(Sc3ccc([N+](=O)[O-])cc3)c2=O)cc1	ZINC000100998438	560765744	/nfs/dbraw/zinc/76/57/44/560765744.db2.gz	HEHABBDFCRJDDA-HNNXBMFYSA-N	-1	3	400.416	2.551	40	5		HFBBHM
O=C([O-])[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NCc1ccco1	ZINC000065090341	569391159	/nfs/dbraw/zinc/39/11/59/569391159.db2.gz	OIWUAYBKSRSULD-AWEZNQCLSA-N	-1	3	416.415	2.883	40	5		HFBBHM
O=C(C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12)c1ccc2ccccc2c1	ZINC000100355293	559196527	/nfs/dbraw/zinc/19/65/27/559196527.db2.gz	RXODAPJODQJMQG-YLJYHZDGSA-N	-1	3	415.361	2.875	40	5		HFBBHM
O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C12)c1ccc2ccccc2c1	ZINC000003848919	568927456	/nfs/dbraw/zinc/92/74/56/568927456.db2.gz	RXODAPJODQJMQG-XLIONFOSSA-N	-1	3	415.361	2.875	40	5		HFBBHM
Cc1nc([N-]c2ccc(S(N)(=O)=O)cc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-]	ZINC000016249514	569030269	/nfs/dbraw/zinc/03/02/69/569030269.db2.gz	KEPSQHMPUAVBLO-UHFFFAOYSA-N	-1	3	414.447	2.852	40	5		HFBBHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000408610940	559221529	/nfs/dbraw/zinc/22/15/29/559221529.db2.gz	VFBQQTDRWPLGGD-JTQLQIEISA-N	-1	3	413.839	2.562	40	5		HFBBHM
O=C([O-])[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NCc1ccco1	ZINC000065090343	569391125	/nfs/dbraw/zinc/39/11/25/569391125.db2.gz	OIWUAYBKSRSULD-CQSZACIVSA-N	-1	3	416.415	2.883	40	5		HFBBHM
COc1ccc(-c2nn3c(C)nnc3s2)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000014291281	560840989	/nfs/dbraw/zinc/84/09/89/560840989.db2.gz	DUGZLKVRFIWKQC-UHFFFAOYSA-N	-1	3	400.376	2.923	40	5		HFBBHM
Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c([O-])c1	ZINC000017090588	569274103	/nfs/dbraw/zinc/27/41/03/569274103.db2.gz	GGQRIBUFOPIFOC-UHFFFAOYSA-N	-1	3	416.459	2.572	40	5		HFBBHM