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([O-])C1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000238051997	939056288	/nfs/dbraw/zinc/05/62/88/939056288.db2.gz	VCCKRKXMORHGQC-UHFFFAOYSA-N	-1	0	434.452	3.504	20	5		IHBDRM
CC[C@@](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)(C(=O)[O-])c1ccccc1	ZINC000485383704	939229455	/nfs/dbraw/zinc/22/94/55/939229455.db2.gz	NVIATXUPMYYGCJ-QHCPKHFHSA-N	-1	0	436.468	3.576	20	5		IHBDRM
CC[C@@](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507310194	939233471	/nfs/dbraw/zinc/23/34/71/939233471.db2.gz	TUZLIFYVOUWFEH-NRFANRHFSA-N	-1	0	431.876	3.968	20	5		IHBDRM
COc1ccc([C@@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000521088889	939255466	/nfs/dbraw/zinc/25/54/66/939255466.db2.gz	KKAOCRQLZZEEAR-LRAJWGHMSA-N	-1	0	441.484	3.641	20	5		IHBDRM
CSc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000537403432	939269396	/nfs/dbraw/zinc/26/93/96/939269396.db2.gz	MJEGXDXMLVKDPS-CQSZACIVSA-N	-1	0	425.260	3.635	20	5		IHBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000746368875	939063295	/nfs/dbraw/zinc/06/32/95/939063295.db2.gz	UBGLLDATWOWYPJ-SFHVURJKSA-N	-1	0	446.822	3.746	20	5		IHBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000746368872	939063373	/nfs/dbraw/zinc/06/33/73/939063373.db2.gz	UBGLLDATWOWYPJ-GOSISDBHSA-N	-1	0	446.822	3.746	20	5		IHBDRM
CC1CCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])c3cc(F)ccc3F)cc2[N+](=O)[O-])CC1	ZINC000776616875	939088095	/nfs/dbraw/zinc/08/80/95/939088095.db2.gz	KKBUVAKYSVXOOI-LJQANCHMSA-N	-1	0	433.411	3.665	20	5		IHBDRM
C[C@@](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776649031	939091723	/nfs/dbraw/zinc/09/17/23/939091723.db2.gz	KXVVGGBAWFYAPK-IBGZPJMESA-N	-1	0	448.273	3.661	20	5		IHBDRM
C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1	ZINC000797711023	939169719	/nfs/dbraw/zinc/16/97/19/939169719.db2.gz	PIPNJRLYCMSOJX-BBATYDOGSA-N	-1	0	436.262	3.718	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCCOC1	ZINC000432119121	939178667	/nfs/dbraw/zinc/17/86/67/939178667.db2.gz	AXHLYBVDINFXGQ-FZKQIMNGSA-N	-1	0	434.832	3.650	20	5		IHBDRM
CC[C@@](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507310177	939233628	/nfs/dbraw/zinc/23/36/28/939233628.db2.gz	SXLKFPTYMFSCDL-FQEVSTJZSA-N	-1	0	428.832	3.554	20	5		IHBDRM
CC[C@](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507335941	939236715	/nfs/dbraw/zinc/23/67/15/939236715.db2.gz	YIYICGNSOKPWGT-HXUWFJFHSA-N	-1	0	429.816	3.622	20	5		IHBDRM
COc1ccc([C@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000521088891	939255644	/nfs/dbraw/zinc/25/56/44/939255644.db2.gz	KKAOCRQLZZEEAR-ZSDSOXJFSA-N	-1	0	441.484	3.641	20	5		IHBDRM
C[C@@](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000576216896	939737749	/nfs/dbraw/zinc/73/77/49/939737749.db2.gz	JTOOOQZTSAUYGC-SFHVURJKSA-N	-1	0	426.256	3.743	20	5		IHBDRM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000485199955	939218501	/nfs/dbraw/zinc/21/85/01/939218501.db2.gz	HBVUGVODLKYYNH-BONVTDFDSA-N	-1	0	439.287	3.780	20	5		IHBDRM
CC[C@](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507322265	939235937	/nfs/dbraw/zinc/23/59/37/939235937.db2.gz	ZZFYGZLBLGQPOG-HXUWFJFHSA-N	-1	0	428.832	3.554	20	5		IHBDRM
COc1ccc(CSCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-]	ZINC000537369545	939266753	/nfs/dbraw/zinc/26/67/53/939266753.db2.gz	RUKOPCJJJJSGFX-QGZVFWFLSA-N	-1	0	442.852	3.571	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC(F)F)cc1	ZINC000540711597	939294789	/nfs/dbraw/zinc/29/47/89/939294789.db2.gz	BTMSRSOYXXLXCZ-HNNXBMFYSA-N	-1	0	449.391	3.875	20	5		IHBDRM
C[C@](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000576216895	939737739	/nfs/dbraw/zinc/73/77/39/939737739.db2.gz	JTOOOQZTSAUYGC-GOSISDBHSA-N	-1	0	426.256	3.743	20	5		IHBDRM
Cc1ccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000582100410	939782355	/nfs/dbraw/zinc/78/23/55/939782355.db2.gz	LRLARLGPHAVADX-ZBEGNZNMSA-N	-1	0	436.262	3.852	20	5		IHBDRM
COc1ccc([C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000582127747	939782472	/nfs/dbraw/zinc/78/24/72/939782472.db2.gz	HPXADFYZFMTDDP-OAQYLSRUSA-N	-1	0	435.436	3.771	20	5		IHBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000618940621	939809459	/nfs/dbraw/zinc/80/94/59/939809459.db2.gz	ZAKLJWPWGPUJDD-GOSISDBHSA-N	-1	0	445.382	3.623	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)c(F)c1	ZINC000431775091	939154121	/nfs/dbraw/zinc/15/41/21/939154121.db2.gz	HMMAWTDWBIDUSY-OAQYLSRUSA-N	-1	0	438.842	3.889	20	5		IHBDRM
C[C@](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1cccc(Br)c1	ZINC000776652998	939099907	/nfs/dbraw/zinc/09/99/07/939099907.db2.gz	YEKZAYSMYPOFNH-GOSISDBHSA-N	-1	0	432.230	3.568	20	5		IHBDRM
CC[C@@](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507335939	939236581	/nfs/dbraw/zinc/23/65/81/939236581.db2.gz	YIYICGNSOKPWGT-FQEVSTJZSA-N	-1	0	429.816	3.622	20	5		IHBDRM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1	ZINC000540702950	939291889	/nfs/dbraw/zinc/29/18/89/939291889.db2.gz	PNIPFCOLWGTYEB-ZUZCIYMTSA-N	-1	0	426.397	3.619	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)ccc1F	ZINC000766953270	939076998	/nfs/dbraw/zinc/07/69/98/939076998.db2.gz	HXFZPFFOESKWIV-INIZCTEOSA-N	-1	0	447.316	3.636	20	5		IHBDRM
CC[C@](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507295103	939232158	/nfs/dbraw/zinc/23/21/58/939232158.db2.gz	KQOFKWLKOULZKF-HXUWFJFHSA-N	-1	0	428.832	3.554	20	5		IHBDRM
C[C@](NC(=O)NCCc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000575941638	939735101	/nfs/dbraw/zinc/73/51/01/939735101.db2.gz	BQHSKFZOXUCUHE-GOSISDBHSA-N	-1	0	426.256	3.743	20	5		IHBDRM
COc1ccc([C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1Br	ZINC000578481160	939754394	/nfs/dbraw/zinc/75/43/94/939754394.db2.gz	QWTIVUOFWYFUJE-HNNXBMFYSA-N	-1	0	438.234	3.622	20	5		IHBDRM
C[C@@](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)(C(=O)[O-])c1cccc(Br)c1	ZINC000788319802	939149286	/nfs/dbraw/zinc/14/92/86/939149286.db2.gz	XDFUTVXPUJKPES-INIZCTEOSA-N	-1	0	426.198	3.618	20	5		IHBDRM
CC[C@@](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507322264	939235993	/nfs/dbraw/zinc/23/59/93/939235993.db2.gz	ZZFYGZLBLGQPOG-FQEVSTJZSA-N	-1	0	428.832	3.554	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)c(F)c1	ZINC000431775090	939154301	/nfs/dbraw/zinc/15/43/01/939154301.db2.gz	HMMAWTDWBIDUSY-NRFANRHFSA-N	-1	0	438.842	3.889	20	5		IHBDRM
C[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1	ZINC000797711022	939169578	/nfs/dbraw/zinc/16/95/78/939169578.db2.gz	PIPNJRLYCMSOJX-ADLMAVQZSA-N	-1	0	436.262	3.718	20	5		IHBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000564156621	939343849	/nfs/dbraw/zinc/34/38/49/939343849.db2.gz	ZPJMZTVURYAHQC-IBGZPJMESA-N	-1	0	441.419	3.792	20	5		IHBDRM
O=C([O-])C1(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCSCC1	ZINC000578612902	939755767	/nfs/dbraw/zinc/75/57/67/939755767.db2.gz	JYALVDZMGRWVMJ-UHFFFAOYSA-N	-1	0	449.916	3.941	20	5		IHBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000618940624	939809661	/nfs/dbraw/zinc/80/96/61/939809661.db2.gz	ZAKLJWPWGPUJDD-SFHVURJKSA-N	-1	0	445.382	3.623	20	5		IHBDRM
C[C@](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1cccc(Br)c1	ZINC000761806773	939068702	/nfs/dbraw/zinc/06/87/02/939068702.db2.gz	IGPAGQWJXCGSME-QGZVFWFLSA-N	-1	0	441.665	3.669	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc2ccccc2c1	ZINC000431879689	939167369	/nfs/dbraw/zinc/16/73/69/939167369.db2.gz	FFTVPMTUEWHYJQ-IBGZPJMESA-N	-1	0	443.253	3.995	20	5		IHBDRM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1	ZINC000540702946	939291798	/nfs/dbraw/zinc/29/17/98/939291798.db2.gz	PNIPFCOLWGTYEB-BMIGLBTASA-N	-1	0	426.397	3.619	20	5		IHBDRM
C[C@@](NC(=O)NCCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000562429990	939325869	/nfs/dbraw/zinc/32/58/69/939325869.db2.gz	GYKSACQPUGWLCU-SFHVURJKSA-N	-1	0	426.256	3.743	20	5		IHBDRM
C[C@@](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])(C(=O)[O-])c1cccc(Br)c1	ZINC000776648853	939091130	/nfs/dbraw/zinc/09/11/30/939091130.db2.gz	DSSNFERDIHQOFJ-INIZCTEOSA-N	-1	0	427.638	3.741	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OC(F)F)cc1	ZINC000538514798	939279725	/nfs/dbraw/zinc/27/97/25/939279725.db2.gz	SACZMQLOQBXPMW-OAHLLOKOSA-N	-1	0	449.391	3.875	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1	ZINC000559413068	939312801	/nfs/dbraw/zinc/31/28/01/939312801.db2.gz	FGVOBTCGEKFKQE-ZDUSSCGKSA-N	-1	0	428.626	3.958	20	5		IHBDRM
O=C([O-])C1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCCC1	ZINC000238052024	939056354	/nfs/dbraw/zinc/05/63/54/939056354.db2.gz	OMONLCYAPWRXEN-UHFFFAOYSA-N	-1	0	448.479	3.894	20	5		IHBDRM
CSc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000776648903	939091123	/nfs/dbraw/zinc/09/11/23/939091123.db2.gz	GIKDJQWIRKBEOI-KRWDZBQOSA-N	-1	0	439.287	3.809	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)c(F)c1	ZINC000431778984	939155350	/nfs/dbraw/zinc/15/53/50/939155350.db2.gz	PIQQHKGULQAPEG-HNNXBMFYSA-N	-1	0	445.628	3.634	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCCOC1	ZINC000432119123	939178634	/nfs/dbraw/zinc/17/86/34/939178634.db2.gz	AXHLYBVDINFXGQ-UGSOOPFHSA-N	-1	0	434.832	3.650	20	5		IHBDRM
CC[C@@](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507336247	939236693	/nfs/dbraw/zinc/23/66/93/939236693.db2.gz	ZREMJOOJXOTQFE-FQEVSTJZSA-N	-1	0	428.832	3.554	20	5		IHBDRM
Cc1ccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000582100407	939782456	/nfs/dbraw/zinc/78/24/56/939782456.db2.gz	LRLARLGPHAVADX-BDJLRTHQSA-N	-1	0	436.262	3.852	20	5		IHBDRM
C[C@](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)(C(=O)[O-])c1cccc(Br)c1	ZINC000788319805	939149838	/nfs/dbraw/zinc/14/98/38/939149838.db2.gz	XDFUTVXPUJKPES-MRXNPFEDSA-N	-1	0	426.198	3.618	20	5		IHBDRM
C[C@@](NC(=O)NCCc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000575941639	939735686	/nfs/dbraw/zinc/73/56/86/939735686.db2.gz	BQHSKFZOXUCUHE-SFHVURJKSA-N	-1	0	426.256	3.743	20	5		IHBDRM
COc1ccc([C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1Br	ZINC000578481161	939754437	/nfs/dbraw/zinc/75/44/37/939754437.db2.gz	QWTIVUOFWYFUJE-OAHLLOKOSA-N	-1	0	438.234	3.622	20	5		IHBDRM
CSc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000776648904	939091106	/nfs/dbraw/zinc/09/11/06/939091106.db2.gz	GIKDJQWIRKBEOI-QGZVFWFLSA-N	-1	0	439.287	3.809	20	5		IHBDRM
C[C@@](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776649754	939094362	/nfs/dbraw/zinc/09/43/62/939094362.db2.gz	XBIAOYCJUPFDHP-SFHVURJKSA-N	-1	0	432.230	3.568	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1	ZINC000431778388	939155154	/nfs/dbraw/zinc/15/51/54/939155154.db2.gz	JMNVLVUDFZALSV-HNNXBMFYSA-N	-1	0	446.815	3.884	20	5		IHBDRM
CC[C@](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507336248	939236687	/nfs/dbraw/zinc/23/66/87/939236687.db2.gz	ZREMJOOJXOTQFE-HXUWFJFHSA-N	-1	0	428.832	3.554	20	5		IHBDRM
C[C@](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])(C(=O)[O-])c1cccc(Br)c1	ZINC000776648854	939091334	/nfs/dbraw/zinc/09/13/34/939091334.db2.gz	DSSNFERDIHQOFJ-MRXNPFEDSA-N	-1	0	427.638	3.741	20	5		IHBDRM
C[C@H](NC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1	ZINC000797711024	939169734	/nfs/dbraw/zinc/16/97/34/939169734.db2.gz	PIPNJRLYCMSOJX-VOJFVSQTSA-N	-1	0	436.262	3.718	20	5		IHBDRM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000485199950	939218379	/nfs/dbraw/zinc/21/83/79/939218379.db2.gz	HBVUGVODLKYYNH-BMIGLBTASA-N	-1	0	439.287	3.780	20	5		IHBDRM
CC[C@](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507310195	939233527	/nfs/dbraw/zinc/23/35/27/939233527.db2.gz	TUZLIFYVOUWFEH-OAQYLSRUSA-N	-1	0	431.876	3.968	20	5		IHBDRM
C[C@@H](NC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1	ZINC000797711025	939169666	/nfs/dbraw/zinc/16/96/66/939169666.db2.gz	PIPNJRLYCMSOJX-ZMZPIMSZSA-N	-1	0	436.262	3.718	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCCOC1	ZINC000432119120	939178772	/nfs/dbraw/zinc/17/87/72/939178772.db2.gz	AXHLYBVDINFXGQ-ACJLOTCBSA-N	-1	0	434.832	3.650	20	5		IHBDRM
COc1ccc([C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000582127746	939782523	/nfs/dbraw/zinc/78/25/23/939782523.db2.gz	HPXADFYZFMTDDP-NRFANRHFSA-N	-1	0	435.436	3.771	20	5		IHBDRM
CC[C@@](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507295096	939232131	/nfs/dbraw/zinc/23/21/31/939232131.db2.gz	KQOFKWLKOULZKF-FQEVSTJZSA-N	-1	0	428.832	3.554	20	5		IHBDRM
COc1ccc([C@H](NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000521088888	939255549	/nfs/dbraw/zinc/25/55/49/939255549.db2.gz	KKAOCRQLZZEEAR-GXZWQRSESA-N	-1	0	441.484	3.641	20	5		IHBDRM
O=C([O-])C1(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)Cc2ccccc2C1	ZINC000532592697	939263879	/nfs/dbraw/zinc/26/38/79/939263879.db2.gz	YFROMUQNSYCGSY-UHFFFAOYSA-N	-1	0	431.448	3.559	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OC(F)F)cc1	ZINC000540711598	939294907	/nfs/dbraw/zinc/29/49/07/939294907.db2.gz	BTMSRSOYXXLXCZ-OAHLLOKOSA-N	-1	0	449.391	3.875	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1	ZINC000238023081	939055094	/nfs/dbraw/zinc/05/50/94/939055094.db2.gz	MMZDEBZVHWHTGD-HNNXBMFYSA-N	-1	0	435.223	3.643	20	5		IHBDRM
COc1ccc(CSCC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000431863303	939163641	/nfs/dbraw/zinc/16/36/41/939163641.db2.gz	QUUXHTPCQNEZKW-OAQYLSRUSA-N	-1	0	440.477	3.932	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000485208870	939221168	/nfs/dbraw/zinc/22/11/68/939221168.db2.gz	OINUMOSSSVVYRM-QGZVFWFLSA-N	-1	0	448.273	3.513	20	5		IHBDRM
CSc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000537403431	939269499	/nfs/dbraw/zinc/26/94/99/939269499.db2.gz	MJEGXDXMLVKDPS-AWEZNQCLSA-N	-1	0	425.260	3.635	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OC(F)F)cc1	ZINC000538514797	939280006	/nfs/dbraw/zinc/28/00/06/939280006.db2.gz	SACZMQLOQBXPMW-HNNXBMFYSA-N	-1	0	449.391	3.875	20	5		IHBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000564156622	939343937	/nfs/dbraw/zinc/34/39/37/939343937.db2.gz	ZPJMZTVURYAHQC-LJQANCHMSA-N	-1	0	441.419	3.792	20	5		IHBDRM
C[C@](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1cccc(Br)c1	ZINC000776649479	939093425	/nfs/dbraw/zinc/09/34/25/939093425.db2.gz	RVBRESABWBHFPZ-MRXNPFEDSA-N	-1	0	427.638	3.741	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)c(F)c1	ZINC000776689048	939106110	/nfs/dbraw/zinc/10/61/10/939106110.db2.gz	YLTZIYCMABFLAA-CYBMUJFWSA-N	-1	0	449.591	3.845	20	5		IHBDRM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000095955387	569376806	/nfs/dbraw/zinc/37/68/06/569376806.db2.gz	FUWAGRAUUPUWNO-UHFFFAOYSA-N	-1	0	438.630	3.654	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(Cl)c(F)c1	ZINC000776689049	939106116	/nfs/dbraw/zinc/10/61/16/939106116.db2.gz	YLTZIYCMABFLAA-ZDUSSCGKSA-N	-1	0	449.591	3.845	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1	ZINC000431778389	939155357	/nfs/dbraw/zinc/15/53/57/939155357.db2.gz	JMNVLVUDFZALSV-OAHLLOKOSA-N	-1	0	446.815	3.884	20	5		IHBDRM
CC[C@](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507310178	939233646	/nfs/dbraw/zinc/23/36/46/939233646.db2.gz	SXLKFPTYMFSCDL-HXUWFJFHSA-N	-1	0	428.832	3.554	20	5		IHBDRM
O=C([O-])C1(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCCC1	ZINC000237921943	939051427	/nfs/dbraw/zinc/05/14/27/939051427.db2.gz	DFKACGATRCAJNE-UHFFFAOYSA-N	-1	0	443.422	3.734	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)ccc1F	ZINC000766953272	939077013	/nfs/dbraw/zinc/07/70/13/939077013.db2.gz	HXFZPFFOESKWIV-MRXNPFEDSA-N	-1	0	447.316	3.636	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCCOC1	ZINC000432119122	939178615	/nfs/dbraw/zinc/17/86/15/939178615.db2.gz	AXHLYBVDINFXGQ-SCLBCKFNSA-N	-1	0	434.832	3.650	20	5		IHBDRM
Cc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000582100409	939782382	/nfs/dbraw/zinc/78/23/82/939782382.db2.gz	LRLARLGPHAVADX-MEDUHNTESA-N	-1	0	436.262	3.852	20	5		IHBDRM
C[C@](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000610847708	939808475	/nfs/dbraw/zinc/80/84/75/939808475.db2.gz	JFMOIBJOTBVLHN-GOSISDBHSA-N	-1	0	425.363	3.532	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1	ZINC000238035287	939055886	/nfs/dbraw/zinc/05/58/86/939055886.db2.gz	MMZDEBZVHWHTGD-OAHLLOKOSA-N	-1	0	435.223	3.643	20	5		IHBDRM
COc1ccc(CSCC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000431863302	939163703	/nfs/dbraw/zinc/16/37/03/939163703.db2.gz	QUUXHTPCQNEZKW-NRFANRHFSA-N	-1	0	440.477	3.932	20	5		IHBDRM
COc1ccc([C@H](NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000521088890	939255613	/nfs/dbraw/zinc/25/56/13/939255613.db2.gz	KKAOCRQLZZEEAR-PZPWOCDFSA-N	-1	0	441.484	3.641	20	5		IHBDRM
C[C@@](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1cccc(Br)c1	ZINC000776649478	939093418	/nfs/dbraw/zinc/09/34/18/939093418.db2.gz	RVBRESABWBHFPZ-INIZCTEOSA-N	-1	0	427.638	3.741	20	5		IHBDRM
C[C@@](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1cccc(Br)c1	ZINC000776653001	939100443	/nfs/dbraw/zinc/10/04/43/939100443.db2.gz	YEKZAYSMYPOFNH-SFHVURJKSA-N	-1	0	432.230	3.568	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)c(F)c1	ZINC000431778985	939155411	/nfs/dbraw/zinc/15/54/11/939155411.db2.gz	PIQQHKGULQAPEG-OAHLLOKOSA-N	-1	0	445.628	3.634	20	5		IHBDRM
CC[C@](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507322047	939235902	/nfs/dbraw/zinc/23/59/02/939235902.db2.gz	ZGQMGZLPNXHJSF-HXUWFJFHSA-N	-1	0	428.832	3.554	20	5		IHBDRM
CC[C@@](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507322046	939235949	/nfs/dbraw/zinc/23/59/49/939235949.db2.gz	ZGQMGZLPNXHJSF-FQEVSTJZSA-N	-1	0	428.832	3.554	20	5		IHBDRM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000485199963	939218488	/nfs/dbraw/zinc/21/84/88/939218488.db2.gz	HBVUGVODLKYYNH-MEBBXXQBSA-N	-1	0	439.287	3.780	20	5		IHBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000485208868	939221101	/nfs/dbraw/zinc/22/11/01/939221101.db2.gz	OINUMOSSSVVYRM-KRWDZBQOSA-N	-1	0	448.273	3.513	20	5		IHBDRM
CCC1CCC(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)(C(=O)[O-])CC1	ZINC000540703649	939292629	/nfs/dbraw/zinc/29/26/29/939292629.db2.gz	MODLKTNLRDRMQN-UHFFFAOYSA-N	-1	0	428.489	3.610	20	5		IHBDRM
C[C@](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776649032	939091827	/nfs/dbraw/zinc/09/18/27/939091827.db2.gz	KXVVGGBAWFYAPK-LJQANCHMSA-N	-1	0	448.273	3.661	20	5		IHBDRM
C[C@](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776649752	939094511	/nfs/dbraw/zinc/09/45/11/939094511.db2.gz	XBIAOYCJUPFDHP-GOSISDBHSA-N	-1	0	432.230	3.568	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1	ZINC000559413067	939312465	/nfs/dbraw/zinc/31/24/65/939312465.db2.gz	FGVOBTCGEKFKQE-CYBMUJFWSA-N	-1	0	428.626	3.958	20	5		IHBDRM
C[C@@](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1cccc(Br)c1	ZINC000761806771	939068761	/nfs/dbraw/zinc/06/87/61/939068761.db2.gz	IGPAGQWJXCGSME-KRWDZBQOSA-N	-1	0	441.665	3.669	20	5		IHBDRM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000485199968	939218661	/nfs/dbraw/zinc/21/86/61/939218661.db2.gz	HBVUGVODLKYYNH-ZUZCIYMTSA-N	-1	0	439.287	3.780	20	5		IHBDRM
CC[C@](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)(C(=O)[O-])c1ccccc1	ZINC000485383686	939229475	/nfs/dbraw/zinc/22/94/75/939229475.db2.gz	NVIATXUPMYYGCJ-HSZRJFAPSA-N	-1	0	436.468	3.576	20	5		IHBDRM
COc1ccc(CSCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-]	ZINC000537369541	939266614	/nfs/dbraw/zinc/26/66/14/939266614.db2.gz	RUKOPCJJJJSGFX-KRWDZBQOSA-N	-1	0	442.852	3.571	20	5		IHBDRM
Cc1ccc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000582100408	939782469	/nfs/dbraw/zinc/78/24/69/939782469.db2.gz	LRLARLGPHAVADX-BZNIZROVSA-N	-1	0	436.262	3.852	20	5		IHBDRM
C[C@](NC(=O)NCCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000562429986	939325788	/nfs/dbraw/zinc/32/57/88/939325788.db2.gz	GYKSACQPUGWLCU-GOSISDBHSA-N	-1	0	426.256	3.743	20	5		IHBDRM
C[C@@](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000610847709	939808477	/nfs/dbraw/zinc/80/84/77/939808477.db2.gz	JFMOIBJOTBVLHN-SFHVURJKSA-N	-1	0	425.363	3.532	20	5		IHBDRM
CC1CCN(c2ccc(C(=O)N[C@H](C(=O)[O-])c3cc(F)ccc3F)cc2[N+](=O)[O-])CC1	ZINC000776616871	939088246	/nfs/dbraw/zinc/08/82/46/939088246.db2.gz	KKBUVAKYSVXOOI-IBGZPJMESA-N	-1	0	433.411	3.665	20	5		IHBDRM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1	ZINC000540702948	939291802	/nfs/dbraw/zinc/29/18/02/939291802.db2.gz	PNIPFCOLWGTYEB-MEBBXXQBSA-N	-1	0	426.397	3.619	20	5		IHBDRM
CC[C@](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)(C(=O)[O-])c1ccccc1	ZINC000766970938	939085218	/nfs/dbraw/zinc/08/52/18/939085218.db2.gz	GRUFZQLRMJBGBA-QGZVFWFLSA-N	-1	0	425.210	3.616	20	5		IHBDRM
O=C([O-])[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc2ccccc2c1	ZINC000431879690	939167402	/nfs/dbraw/zinc/16/74/02/939167402.db2.gz	FFTVPMTUEWHYJQ-LJQANCHMSA-N	-1	0	443.253	3.995	20	5		IHBDRM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1	ZINC000540702947	939291760	/nfs/dbraw/zinc/29/17/60/939291760.db2.gz	PNIPFCOLWGTYEB-BONVTDFDSA-N	-1	0	426.397	3.619	20	5		IHBDRM
CC[C@@](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)(C(=O)[O-])c1ccccc1	ZINC000766970937	939085302	/nfs/dbraw/zinc/08/53/02/939085302.db2.gz	GRUFZQLRMJBGBA-KRWDZBQOSA-N	-1	0	425.210	3.616	20	5		IHBDRM