smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(N2C[C@@H](C)O[C@H](C)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000029123111	563073895	/nfs/dbraw/zinc/07/38/95/563073895.db2.gz	XMMNBHIHHMYICW-NXEZZACHSA-N	-1	0	435.408	2.704	1	5		IFBFRM
C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000027557420	563043843	/nfs/dbraw/zinc/04/38/43/563043843.db2.gz	BIVLEDRCQVFALV-SNVBAGLBSA-N	-1	0	443.821	2.820	1	5		IFBFRM
COC(=O)c1ccc([C@@H](C)n2[n-]c(=O)c3nc4cc(Cl)ccc4c(O)c3c2=O)cc1	ZINC000028655991	563061318	/nfs/dbraw/zinc/06/13/18/563061318.db2.gz	HPICEDZGJUHGKN-SNVBAGLBSA-N	-1	0	425.828	2.993	1	5		IFBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000013863129	563013294	/nfs/dbraw/zinc/01/32/94/563013294.db2.gz	GJWQEFUNQITYAJ-JTQLQIEISA-N	-1	0	443.821	2.820	1	5		IFBFRM
COc1c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000029123109	563073841	/nfs/dbraw/zinc/07/38/41/563073841.db2.gz	XMMNBHIHHMYICW-AOOOYVTPSA-N	-1	0	435.408	2.704	1	5		IFBFRM
CN(C)C(=O)Nc1ccc(Cn2[n-]c(=O)c3nc4cc(Cl)ccc4c(O)c3c2=O)cc1	ZINC000028656011	563061384	/nfs/dbraw/zinc/06/13/84/563061384.db2.gz	TVQQUUVYPKGIMU-UHFFFAOYSA-N	-1	0	439.859	2.739	1	5		IFBFRM
O=C([O-])CCN(CC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000036387400	563094656	/nfs/dbraw/zinc/09/46/56/563094656.db2.gz	RCUQBKRJDPXIPK-UHFFFAOYSA-N	-1	0	426.834	2.597	3	5		IFBFRM
Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)sc1C(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000040934111	563112285	/nfs/dbraw/zinc/11/22/85/563112285.db2.gz	AOZIZMYOKQAZLU-UHFFFAOYSA-N	-1	0	427.442	2.731	1	5		IFBFRM
CNC(=O)c1cc(Oc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)ccn1	ZINC000072175089	563165268	/nfs/dbraw/zinc/16/52/68/563165268.db2.gz	NWKJWEUUHVJQOM-UHFFFAOYSA-N	-1	0	428.426	2.943	1	5		IFBFRM
C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000026380934	563031346	/nfs/dbraw/zinc/03/13/46/563031346.db2.gz	GJWQEFUNQITYAJ-SNVBAGLBSA-N	-1	0	443.821	2.820	1	5		IFBFRM
COc1c(N2C[C@H](C)O[C@@H](C)C2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000029123110	563073821	/nfs/dbraw/zinc/07/38/21/563073821.db2.gz	XMMNBHIHHMYICW-UWVGGRQHSA-N	-1	0	435.408	2.704	1	5		IFBFRM
O=C([O-])CCC(=O)O[C@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O	ZINC000006017810	562945841	/nfs/dbraw/zinc/94/58/41/562945841.db2.gz	QALQAIWAHFERNQ-LJQANCHMSA-N	-1	0	431.788	2.772	1	5		IFBFRM
O=[N+]([O-])c1ccc(C([O-])=CS(=O)(=O)c2ccc(I)cc2)cc1	ZINC000028712326	563062880	/nfs/dbraw/zinc/06/28/80/563062880.db2.gz	DLTFZXIPJPMVPC-UHFFFAOYSA-N	-1	0	431.207	2.856	1	5		IFBFRM
C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)C[C@H](C)O1	ZINC000028868006	563067268	/nfs/dbraw/zinc/06/72/68/563067268.db2.gz	KPXUCNGZFADDEW-TXEJJXNPSA-N	-1	0	442.403	2.745	1	5		IFBFRM
COC(=O)c1ccc([C@H](C)n2[n-]c(=O)c3nc4cc(Cl)ccc4c(O)c3c2=O)cc1	ZINC000028655994	563061421	/nfs/dbraw/zinc/06/14/21/563061421.db2.gz	HPICEDZGJUHGKN-JTQLQIEISA-N	-1	0	425.828	2.993	1	5		IFBFRM
O=C([O-])[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000040940192	563113449	/nfs/dbraw/zinc/11/34/49/563113449.db2.gz	NNQRFJGGVDWZPR-SFHVURJKSA-N	-1	0	429.429	2.875	1	5		IFBFRM
Cn1cnc(S(=O)(=O)[N-]c2ccc3ccc4ncc(-c5cnn(C)c5)cc4c(=O)c3c2)c1	ZINC000072108501	563163135	/nfs/dbraw/zinc/16/31/35/563163135.db2.gz	CIWWMNHAJAUGHN-UHFFFAOYSA-N	-1	0	446.492	2.683	1	5		IFBFRM
CN(C)C(=O)Nc1cccc(Cn2[n-]c(=O)c3nc4cc(Cl)ccc4c(O)c3c2=O)c1	ZINC000028656014	563061443	/nfs/dbraw/zinc/06/14/43/563061443.db2.gz	XGSXXFWRODUXFW-UHFFFAOYSA-N	-1	0	439.859	2.739	1	5		IFBFRM
C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)C[C@@H](C)O1	ZINC000028868003	563067292	/nfs/dbraw/zinc/06/72/92/563067292.db2.gz	KPXUCNGZFADDEW-VXGBXAGGSA-N	-1	0	442.403	2.745	1	5		IFBFRM
CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1c1ccccc1	ZINC000028867500	563067314	/nfs/dbraw/zinc/06/73/14/563067314.db2.gz	BCEJGVZVCAOAKK-LJQANCHMSA-N	-1	0	449.467	2.831	1	5		IFBFRM
CC(C)(C)n1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(N3CCC4(CC3)OCCO4)cc21	ZINC000040866736	563108882	/nfs/dbraw/zinc/10/88/82/563108882.db2.gz	QIVCUZUWRWRARD-UHFFFAOYSA-N	-1	0	431.445	2.706	1	5		IFBFRM
O=C([O-])[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000040424358	563102938	/nfs/dbraw/zinc/10/29/38/563102938.db2.gz	OYBUNFYJJOKUDR-SFHVURJKSA-N	-1	0	429.429	2.875	1	5		IFBFRM
C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)C[C@H](C)O1	ZINC000028868010	563067294	/nfs/dbraw/zinc/06/72/94/563067294.db2.gz	KPXUCNGZFADDEW-RYUDHWBXSA-N	-1	0	442.403	2.745	1	5		IFBFRM
O=C([O-])CCC(=O)O[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O	ZINC000031905066	563083785	/nfs/dbraw/zinc/08/37/85/563083785.db2.gz	QALQAIWAHFERNQ-IBGZPJMESA-N	-1	0	431.788	2.772	1	5		IFBFRM
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000013840019	563012278	/nfs/dbraw/zinc/01/22/78/563012278.db2.gz	BIVLEDRCQVFALV-JTQLQIEISA-N	-1	0	443.821	2.820	1	5		IFBFRM
O=C([O-])c1cn(-c2ccc(F)cc2)c2nc(N3CCSCC3)c([N+](=O)[O-])cc2c1=O	ZINC000028867985	563067326	/nfs/dbraw/zinc/06/73/26/563067326.db2.gz	PQLGFMBNKWMUGZ-UHFFFAOYSA-N	-1	0	430.417	2.684	1	5		IFBFRM