smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21	ZINC000001312862	551639931	/nfs/dbraw/zinc/63/99/31/551639931.db2.gz	JRXNTGVUXRNFSS-MSCJQJAMSA-N	1	1	508.534	3.918	50	5		KHBAMO
Cc1cccc2c1NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21	ZINC000002239431	551799031	/nfs/dbraw/zinc/79/90/31/551799031.db2.gz	DMEQTYUXDWUOIK-RZNYTTDSSA-N	1	1	508.534	3.918	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O	ZINC000013595838	553477161	/nfs/dbraw/zinc/47/71/61/553477161.db2.gz	LKINVVNSDPHLSM-UHFFFAOYSA-N	1	1	522.627	3.603	50	5		KHBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21	ZINC000013810964	553492412	/nfs/dbraw/zinc/49/24/12/553492412.db2.gz	JRXNTGVUXRNFSS-NCZAXEGCSA-N	1	1	508.534	3.918	50	5		KHBAMO
Cc1cccc2c1NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21	ZINC000016011521	553550772	/nfs/dbraw/zinc/55/07/72/553550772.db2.gz	DMEQTYUXDWUOIK-GXQHJZMOSA-N	1	1	508.534	3.918	50	5		KHBAMO
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@@H]2C1	ZINC000017028316	553586886	/nfs/dbraw/zinc/58/68/86/553586886.db2.gz	ASLXUDMFQWJRRL-CVDCTZTESA-N	1	1	517.464	3.790	50	5		KHBAMO
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@@H]2C1	ZINC000017028316	553586884	/nfs/dbraw/zinc/58/68/84/553586884.db2.gz	ASLXUDMFQWJRRL-CVDCTZTESA-N	1	1	517.464	3.790	50	5		KHBAMO
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCCC[NH+]2CCOCC2)cc1	ZINC000019800693	553617588	/nfs/dbraw/zinc/61/75/88/553617588.db2.gz	YVZLQONMQJQDEV-PLRJNAJWSA-N	1	1	518.570	3.773	50	5		KHBAMO
O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1cc(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-]	ZINC000019849913	553623906	/nfs/dbraw/zinc/62/39/06/553623906.db2.gz	CMAALOWOWDRXFH-UHFFFAOYSA-N	1	1	505.962	3.729	50	5		KHBAMO
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCCC[NH+]2CCOCC2)cc1	ZINC000020101595	553687093	/nfs/dbraw/zinc/68/70/93/553687093.db2.gz	AFLHKXKIHZKSTC-CLCOLTQESA-N	1	1	518.570	3.773	50	5		KHBAMO
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]Cc2ccccc2OC)cc1	ZINC000020155126	553598943	/nfs/dbraw/zinc/59/89/43/553598943.db2.gz	DKYHBUMRXJBQBB-UHFFFAOYSA-N	1	1	506.515	3.761	50	5		KHBAMO
Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCCC[NH+]2CCOCC2)cc1	ZINC000027016903	553823095	/nfs/dbraw/zinc/82/30/95/553823095.db2.gz	AFLHKXKIHZKSTC-LYBHJNIJSA-N	1	1	518.570	3.773	50	5		KHBAMO
O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCO2	ZINC000029749981	553853179	/nfs/dbraw/zinc/85/31/79/553853179.db2.gz	ZNNNYDRATLZKGW-UHFFFAOYSA-N	1	1	545.596	3.811	50	5		KHBAMO
Cc1ccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4F)c3C2)cc1[N+](=O)[O-]	ZINC000034758717	554000706	/nfs/dbraw/zinc/00/07/06/554000706.db2.gz	YTONCUKSZCGIHU-UHFFFAOYSA-N	1	1	524.528	3.714	50	5		KHBAMO
Cc1ccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4cccc(F)c4)c3C2)cc1[N+](=O)[O-]	ZINC000034759765	554001294	/nfs/dbraw/zinc/00/12/94/554001294.db2.gz	RDXPUFZGAWPWMZ-UHFFFAOYSA-N	1	1	506.538	3.575	50	5		KHBAMO
Cc1ccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)cc1[N+](=O)[O-]	ZINC000034760239	554001247	/nfs/dbraw/zinc/00/12/47/554001247.db2.gz	UJLVTJXLWLVONZ-UHFFFAOYSA-N	1	1	524.528	3.714	50	5		KHBAMO
Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC3)ccc1F	ZINC000034760424	554001527	/nfs/dbraw/zinc/00/15/27/554001527.db2.gz	BYIASEKLVCTUBD-UHFFFAOYSA-N	1	1	520.565	3.883	50	5		KHBAMO
O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034787188	554004538	/nfs/dbraw/zinc/00/45/38/554004538.db2.gz	GSACQMBKJVFNOS-AREMUKBSSA-N	1	1	504.612	3.979	50	5		KHBAMO
O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034787188	554004534	/nfs/dbraw/zinc/00/45/34/554004534.db2.gz	GSACQMBKJVFNOS-AREMUKBSSA-N	1	1	504.612	3.979	50	5		KHBAMO
O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034787191	554004454	/nfs/dbraw/zinc/00/44/54/554004454.db2.gz	GSACQMBKJVFNOS-SANMLTNESA-N	1	1	504.612	3.979	50	5		KHBAMO
O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034787191	554004452	/nfs/dbraw/zinc/00/44/52/554004452.db2.gz	GSACQMBKJVFNOS-SANMLTNESA-N	1	1	504.612	3.979	50	5		KHBAMO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034787652	554004743	/nfs/dbraw/zinc/00/47/43/554004743.db2.gz	BXWOAAXZROWFDB-AREMUKBSSA-N	1	1	504.612	3.897	50	5		KHBAMO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034787652	554004739	/nfs/dbraw/zinc/00/47/39/554004739.db2.gz	BXWOAAXZROWFDB-AREMUKBSSA-N	1	1	504.612	3.897	50	5		KHBAMO
Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034787655	554005001	/nfs/dbraw/zinc/00/50/01/554005001.db2.gz	BXWOAAXZROWFDB-SANMLTNESA-N	1	1	504.612	3.897	50	5		KHBAMO
Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034787655	554004996	/nfs/dbraw/zinc/00/49/96/554004996.db2.gz	BXWOAAXZROWFDB-SANMLTNESA-N	1	1	504.612	3.897	50	5		KHBAMO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034787659	554004812	/nfs/dbraw/zinc/00/48/12/554004812.db2.gz	LPQSDKDOTUPIPF-AREMUKBSSA-N	1	1	504.612	3.897	50	5		KHBAMO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034787659	554004807	/nfs/dbraw/zinc/00/48/07/554004807.db2.gz	LPQSDKDOTUPIPF-AREMUKBSSA-N	1	1	504.612	3.897	50	5		KHBAMO
Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034787662	554004756	/nfs/dbraw/zinc/00/47/56/554004756.db2.gz	LPQSDKDOTUPIPF-SANMLTNESA-N	1	1	504.612	3.897	50	5		KHBAMO
Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034787662	554004753	/nfs/dbraw/zinc/00/47/53/554004753.db2.gz	LPQSDKDOTUPIPF-SANMLTNESA-N	1	1	504.612	3.897	50	5		KHBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21	ZINC000034808479	554009407	/nfs/dbraw/zinc/00/94/07/554009407.db2.gz	JRXNTGVUXRNFSS-AHFVTIBXSA-N	1	1	508.534	3.918	50	5		KHBAMO
C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000034829586	554012078	/nfs/dbraw/zinc/01/20/78/554012078.db2.gz	TZGZOTFAXFWNIP-BCHFMIIMSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000034829586	554012073	/nfs/dbraw/zinc/01/20/73/554012073.db2.gz	TZGZOTFAXFWNIP-BCHFMIIMSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000034829587	554012097	/nfs/dbraw/zinc/01/20/97/554012097.db2.gz	TZGZOTFAXFWNIP-SIBVEZHUSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000034829587	554012093	/nfs/dbraw/zinc/01/20/93/554012093.db2.gz	TZGZOTFAXFWNIP-SIBVEZHUSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034829588	554012149	/nfs/dbraw/zinc/01/21/49/554012149.db2.gz	JALTYRGRIXVREM-BCHFMIIMSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034829588	554012147	/nfs/dbraw/zinc/01/21/47/554012147.db2.gz	JALTYRGRIXVREM-BCHFMIIMSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034829589	554012209	/nfs/dbraw/zinc/01/22/09/554012209.db2.gz	JALTYRGRIXVREM-SIBVEZHUSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034829589	554012205	/nfs/dbraw/zinc/01/22/05/554012205.db2.gz	JALTYRGRIXVREM-SIBVEZHUSA-N	1	1	504.612	3.977	50	5		KHBAMO
O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034830016	554013993	/nfs/dbraw/zinc/01/39/93/554013993.db2.gz	VAMQIFGMUDTWMI-AREMUKBSSA-N	1	1	504.612	3.979	50	5		KHBAMO
O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034830017	554014010	/nfs/dbraw/zinc/01/40/10/554014010.db2.gz	VAMQIFGMUDTWMI-SANMLTNESA-N	1	1	504.612	3.979	50	5		KHBAMO
O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034830018	554014047	/nfs/dbraw/zinc/01/40/47/554014047.db2.gz	PWDIQZFQHHWGHY-AREMUKBSSA-N	1	1	504.612	3.979	50	5		KHBAMO
O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034830019	554014097	/nfs/dbraw/zinc/01/40/97/554014097.db2.gz	PWDIQZFQHHWGHY-SANMLTNESA-N	1	1	504.612	3.979	50	5		KHBAMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[N@H+]1CCc2sccc2[C@@H]1c1ccccc1	ZINC000034830134	554014315	/nfs/dbraw/zinc/01/43/15/554014315.db2.gz	ZCZKIKRUBUXWKV-DFBJGRDBSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1	ZINC000034830134	554014311	/nfs/dbraw/zinc/01/43/11/554014311.db2.gz	ZCZKIKRUBUXWKV-DFBJGRDBSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[N@H+]1CCc2sccc2[C@@H]1c1ccccc1	ZINC000034830135	554014339	/nfs/dbraw/zinc/01/43/39/554014339.db2.gz	ZCZKIKRUBUXWKV-CLOONOSVSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1	ZINC000034830135	554014335	/nfs/dbraw/zinc/01/43/35/554014335.db2.gz	ZCZKIKRUBUXWKV-CLOONOSVSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H](C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[N@H+]1CCc2sccc2[C@@H]1c1ccccc1	ZINC000034830136	554014496	/nfs/dbraw/zinc/01/44/96/554014496.db2.gz	OSBUYQJTYIWVPZ-DFBJGRDBSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H](C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1	ZINC000034830136	554014494	/nfs/dbraw/zinc/01/44/94/554014494.db2.gz	OSBUYQJTYIWVPZ-DFBJGRDBSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H](C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[N@H+]1CCc2sccc2[C@@H]1c1ccccc1	ZINC000034830137	554014437	/nfs/dbraw/zinc/01/44/37/554014437.db2.gz	OSBUYQJTYIWVPZ-CLOONOSVSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H](C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1	ZINC000034830137	554014434	/nfs/dbraw/zinc/01/44/34/554014434.db2.gz	OSBUYQJTYIWVPZ-CLOONOSVSA-N	1	1	504.612	3.977	50	5		KHBAMO
Cc1cccc2c1NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21	ZINC000035851860	554084082	/nfs/dbraw/zinc/08/40/82/554084082.db2.gz	DMEQTYUXDWUOIK-PJKQZJAASA-N	1	1	508.534	3.918	50	5		KHBAMO
O=C(NCCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870333	554085339	/nfs/dbraw/zinc/08/53/39/554085339.db2.gz	LPVKYMPPKQOGQX-AOYPEHQESA-N	1	1	506.006	3.865	50	5		KHBAMO
O=C(NCCc1ccccn1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870334	554085462	/nfs/dbraw/zinc/08/54/62/554085462.db2.gz	LPVKYMPPKQOGQX-AZGAKELHSA-N	1	1	506.006	3.865	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]23)cc1	ZINC000035870888	554085350	/nfs/dbraw/zinc/08/53/50/554085350.db2.gz	NWAOIYCJJGXPMP-IXCJQBJRSA-N	1	1	500.599	3.825	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]23)cc1	ZINC000035870890	554085391	/nfs/dbraw/zinc/08/53/91/554085391.db2.gz	NWAOIYCJJGXPMP-XTEPFMGCSA-N	1	1	500.599	3.825	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1	ZINC000035871013	554085722	/nfs/dbraw/zinc/08/57/22/554085722.db2.gz	MXGSPGQEINOUJY-IXCJQBJRSA-N	1	1	518.589	3.965	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1	ZINC000035871015	554085862	/nfs/dbraw/zinc/08/58/62/554085862.db2.gz	MXGSPGQEINOUJY-XTEPFMGCSA-N	1	1	518.589	3.965	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]23)cc1OC	ZINC000035894503	554091719	/nfs/dbraw/zinc/09/17/19/554091719.db2.gz	ZVXGRGOLHUBLSY-XNMGPUDCSA-N	1	1	530.625	3.834	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]23)cc1OC	ZINC000035894506	554091751	/nfs/dbraw/zinc/09/17/51/554091751.db2.gz	ZVXGRGOLHUBLSY-AHKZPQOWSA-N	1	1	530.625	3.834	50	5		KHBAMO
Cc1cccc2c1NC(=O)[C@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21	ZINC000036315256	554219660	/nfs/dbraw/zinc/21/96/60/554219660.db2.gz	DMEQTYUXDWUOIK-JMBFNUQRSA-N	1	1	508.534	3.918	50	5		KHBAMO
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000038152777	554273110	/nfs/dbraw/zinc/27/31/10/554273110.db2.gz	OQGJWRPIBZSEET-UXBLZVDNSA-N	1	1	548.065	3.827	50	5		KHBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000057111288	554352746	/nfs/dbraw/zinc/35/27/46/554352746.db2.gz	WDALTZNCUKCDTI-OMICENBGSA-N	1	1	508.534	3.918	50	5		KHBAMO
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1	ZINC000059587193	554407683	/nfs/dbraw/zinc/40/76/83/554407683.db2.gz	QLPMYHKABOBIOD-UHFFFAOYSA-N	1	1	533.585	3.621	50	5		KHBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12	ZINC000064019328	554510425	/nfs/dbraw/zinc/51/04/25/554510425.db2.gz	WDALTZNCUKCDTI-WWUUYQERSA-N	1	1	508.534	3.918	50	5		KHBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000064019330	554510398	/nfs/dbraw/zinc/51/03/98/554510398.db2.gz	WDALTZNCUKCDTI-DZRFEFHFSA-N	1	1	508.534	3.918	50	5		KHBAMO
CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccccc4[N+](=O)[O-])n3CCOC)cc2)CC1	ZINC000096288307	553739584	/nfs/dbraw/zinc/73/95/84/553739584.db2.gz	ROXTYXZVYDATPN-UHFFFAOYSA-N	1	1	510.620	3.570	50	5		KHBAMO
CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCOC)CC1	ZINC000096289962	553742537	/nfs/dbraw/zinc/74/25/37/553742537.db2.gz	VZFYRUTYISKSDO-UHFFFAOYSA-N	1	1	510.620	3.570	50	5		KHBAMO
CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccc([N+](=O)[O-])cc4)n3CCOC)cc2)CC1	ZINC000096290045	553742866	/nfs/dbraw/zinc/74/28/66/553742866.db2.gz	NMDQKUBIBGMIPB-UHFFFAOYSA-N	1	1	510.620	3.570	50	5		KHBAMO
O=c1c2c(NCCC[NH+]3CCOCC3)c(F)c(NCCCN3CCOCC3)c(F)c2sc2nc3cc(F)c(F)cc3n21	ZINC000098006394	554062013	/nfs/dbraw/zinc/06/20/13/554062013.db2.gz	VNRBCJSXWHYIQN-UHFFFAOYSA-N	1	1	608.662	3.887	50	5		KHBAMO
CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccccc4Br)[C@H](C)C3)c([N+](=O)[O-])cc2F)CC1	ZINC000098007349	554063510	/nfs/dbraw/zinc/06/35/10/554063510.db2.gz	DMHUNAIQELVRBD-QGZVFWFLSA-N	1	1	534.430	3.989	50	5		KHBAMO
CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccccc4Br)[C@@H](C)C3)c([N+](=O)[O-])cc2F)CC1	ZINC000098007350	554063534	/nfs/dbraw/zinc/06/35/34/554063534.db2.gz	DMHUNAIQELVRBD-KRWDZBQOSA-N	1	1	534.430	3.989	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101359872	554742009	/nfs/dbraw/zinc/74/20/09/554742009.db2.gz	JYCMFGODEBIGFI-SFOWLQBLSA-N	1	1	535.560	3.593	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101359968	554742052	/nfs/dbraw/zinc/74/20/52/554742052.db2.gz	ONWBJBXHISTEDI-SFOWLQBLSA-N	1	1	535.560	3.593	50	5		KHBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101493172	554786296	/nfs/dbraw/zinc/78/62/96/554786296.db2.gz	OIYJRZHTACOAKO-OZSMRWMWSA-N	1	1	565.586	3.683	50	5		KHBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101493175	554786363	/nfs/dbraw/zinc/78/63/63/554786363.db2.gz	OIYJRZHTACOAKO-OREFXHGKSA-N	1	1	565.586	3.683	50	5		KHBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101493176	554786274	/nfs/dbraw/zinc/78/62/74/554786274.db2.gz	OIYJRZHTACOAKO-VIKVLLDXSA-N	1	1	565.586	3.683	50	5		KHBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101493179	554786344	/nfs/dbraw/zinc/78/63/44/554786344.db2.gz	OIYJRZHTACOAKO-NRIYUKMNSA-N	1	1	565.586	3.683	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101494052	554786521	/nfs/dbraw/zinc/78/65/21/554786521.db2.gz	LNDQSEORELOXCY-DXSIMJTGSA-N	1	1	549.587	3.983	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101494054	554786549	/nfs/dbraw/zinc/78/65/49/554786549.db2.gz	LNDQSEORELOXCY-JKGCRDSPSA-N	1	1	549.587	3.983	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101494057	554786583	/nfs/dbraw/zinc/78/65/83/554786583.db2.gz	LNDQSEORELOXCY-KXLMYSQUSA-N	1	1	549.587	3.983	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101494060	554786510	/nfs/dbraw/zinc/78/65/10/554786510.db2.gz	LNDQSEORELOXCY-JXXDWEOVSA-N	1	1	549.587	3.983	50	5		KHBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101506597	554790463	/nfs/dbraw/zinc/79/04/63/554790463.db2.gz	ZKXYNCIHUQVWRQ-OZSMRWMWSA-N	1	1	565.586	3.683	50	5		KHBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101506598	554790502	/nfs/dbraw/zinc/79/05/02/554790502.db2.gz	ZKXYNCIHUQVWRQ-OREFXHGKSA-N	1	1	565.586	3.683	50	5		KHBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101506599	554790442	/nfs/dbraw/zinc/79/04/42/554790442.db2.gz	ZKXYNCIHUQVWRQ-VIKVLLDXSA-N	1	1	565.586	3.683	50	5		KHBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101506600	554790401	/nfs/dbraw/zinc/79/04/01/554790401.db2.gz	ZKXYNCIHUQVWRQ-NRIYUKMNSA-N	1	1	565.586	3.683	50	5		KHBAMO
CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000101507356	554791206	/nfs/dbraw/zinc/79/12/06/554791206.db2.gz	RCTZAOWIORRQRU-RFFSZZMTSA-N	1	1	535.560	3.675	50	5		KHBAMO
CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000101507357	554791104	/nfs/dbraw/zinc/79/11/04/554791104.db2.gz	RCTZAOWIORRQRU-CCPXWOOUSA-N	1	1	535.560	3.675	50	5		KHBAMO
CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000101507359	554791232	/nfs/dbraw/zinc/79/12/32/554791232.db2.gz	RCTZAOWIORRQRU-NIVHOULJSA-N	1	1	535.560	3.675	50	5		KHBAMO
CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000101507362	554791139	/nfs/dbraw/zinc/79/11/39/554791139.db2.gz	RCTZAOWIORRQRU-MTBINSJKSA-N	1	1	535.560	3.675	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101508491	554791723	/nfs/dbraw/zinc/79/17/23/554791723.db2.gz	USGLRXJUQRFHJC-DXSIMJTGSA-N	1	1	549.587	3.983	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101508492	554791712	/nfs/dbraw/zinc/79/17/12/554791712.db2.gz	USGLRXJUQRFHJC-JKGCRDSPSA-N	1	1	549.587	3.983	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101508493	554791670	/nfs/dbraw/zinc/79/16/70/554791670.db2.gz	USGLRXJUQRFHJC-KXLMYSQUSA-N	1	1	549.587	3.983	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101508494	554791783	/nfs/dbraw/zinc/79/17/83/554791783.db2.gz	USGLRXJUQRFHJC-JXXDWEOVSA-N	1	1	549.587	3.983	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101566164	554797675	/nfs/dbraw/zinc/79/76/75/554797675.db2.gz	ONWBJBXHISTEDI-GBRARVNLSA-N	1	1	535.560	3.593	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101566168	554797665	/nfs/dbraw/zinc/79/76/65/554797665.db2.gz	ONWBJBXHISTEDI-ZASNTINBSA-N	1	1	535.560	3.593	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101566171	554797684	/nfs/dbraw/zinc/79/76/84/554797684.db2.gz	ONWBJBXHISTEDI-ZRIOWSNCSA-N	1	1	535.560	3.593	50	5		KHBAMO
CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000101579076	554799659	/nfs/dbraw/zinc/79/96/59/554799659.db2.gz	MUGYCUANFKTYIF-XTGAJNFRSA-N	1	1	555.978	3.938	50	5		KHBAMO
CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000101579081	554799574	/nfs/dbraw/zinc/79/95/74/554799574.db2.gz	MUGYCUANFKTYIF-CHCBTGSZSA-N	1	1	555.978	3.938	50	5		KHBAMO
CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000101579085	554799653	/nfs/dbraw/zinc/79/96/53/554799653.db2.gz	MUGYCUANFKTYIF-RWJVBYDYSA-N	1	1	555.978	3.938	50	5		KHBAMO
CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000101579091	554799608	/nfs/dbraw/zinc/79/96/08/554799608.db2.gz	MUGYCUANFKTYIF-IDCDSMMUSA-N	1	1	555.978	3.938	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101605866	554805144	/nfs/dbraw/zinc/80/51/44/554805144.db2.gz	JYCMFGODEBIGFI-GBRARVNLSA-N	1	1	535.560	3.593	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101605870	554805074	/nfs/dbraw/zinc/80/50/74/554805074.db2.gz	JYCMFGODEBIGFI-ZASNTINBSA-N	1	1	535.560	3.593	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000101605875	554805103	/nfs/dbraw/zinc/80/51/03/554805103.db2.gz	JYCMFGODEBIGFI-ZRIOWSNCSA-N	1	1	535.560	3.593	50	5		KHBAMO
CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000102132473	554886678	/nfs/dbraw/zinc/88/66/78/554886678.db2.gz	PVGJFNSKVFMORX-UHFFFAOYSA-N	1	1	569.707	3.652	50	5		KHBAMO
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000103014096	1066292982	/nfs/dbraw/zinc/29/29/82/1066292982.db2.gz	OQGJWRPIBZSEET-POHAHGRESA-N	1	1	548.065	3.827	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1OC	ZINC000103115160	555287758	/nfs/dbraw/zinc/28/77/58/555287758.db2.gz	HZSHVAXHIWMKJO-XNMGPUDCSA-N	1	1	548.615	3.973	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1OC	ZINC000103115162	555287748	/nfs/dbraw/zinc/28/77/48/555287748.db2.gz	HZSHVAXHIWMKJO-AHKZPQOWSA-N	1	1	548.615	3.973	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000108522982	571426154	/nfs/dbraw/zinc/42/61/54/571426154.db2.gz	ONWBJBXHISTEDI-SODQHWRNSA-N	1	1	535.560	3.593	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000108522988	571426178	/nfs/dbraw/zinc/42/61/78/571426178.db2.gz	ONWBJBXHISTEDI-YDXRHMNESA-N	1	1	535.560	3.593	50	5		KHBAMO
CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000108523013	571426184	/nfs/dbraw/zinc/42/61/84/571426184.db2.gz	MUGYCUANFKTYIF-HNFJUSDZSA-N	1	1	555.978	3.938	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000108523101	571426191	/nfs/dbraw/zinc/42/61/91/571426191.db2.gz	JYCMFGODEBIGFI-YDXRHMNESA-N	1	1	535.560	3.593	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000108523106	571426220	/nfs/dbraw/zinc/42/62/20/571426220.db2.gz	JYCMFGODEBIGFI-SODQHWRNSA-N	1	1	535.560	3.593	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]23)cc1	ZINC000169677312	571554864	/nfs/dbraw/zinc/55/48/64/571554864.db2.gz	NWAOIYCJJGXPMP-IAPPQJPRSA-N	1	1	500.599	3.825	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]23)cc1	ZINC000169677313	571554813	/nfs/dbraw/zinc/55/48/13/571554813.db2.gz	NWAOIYCJJGXPMP-XCZPVHLTSA-N	1	1	500.599	3.825	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]23)cc1OC	ZINC000169677323	571554762	/nfs/dbraw/zinc/55/47/62/571554762.db2.gz	ZVXGRGOLHUBLSY-VPUSJEBWSA-N	1	1	530.625	3.834	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]23)cc1OC	ZINC000169677324	571554819	/nfs/dbraw/zinc/55/48/19/571554819.db2.gz	ZVXGRGOLHUBLSY-BDYUSTAISA-N	1	1	530.625	3.834	50	5		KHBAMO
O=C(NCCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169679062	571556086	/nfs/dbraw/zinc/55/60/86/571556086.db2.gz	LPVKYMPPKQOGQX-RSXGOPAZSA-N	1	1	506.006	3.865	50	5		KHBAMO
O=C(NCCc1ccccn1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169679063	571556100	/nfs/dbraw/zinc/55/61/00/571556100.db2.gz	LPVKYMPPKQOGQX-AHWVRZQESA-N	1	1	506.006	3.865	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1OC	ZINC000169681850	571557753	/nfs/dbraw/zinc/55/77/53/571557753.db2.gz	HZSHVAXHIWMKJO-VPUSJEBWSA-N	1	1	548.615	3.973	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1OC	ZINC000169681851	571557671	/nfs/dbraw/zinc/55/76/71/571557671.db2.gz	HZSHVAXHIWMKJO-BDYUSTAISA-N	1	1	548.615	3.973	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1	ZINC000169681852	571557659	/nfs/dbraw/zinc/55/76/59/571557659.db2.gz	MXGSPGQEINOUJY-IAPPQJPRSA-N	1	1	518.589	3.965	50	5		KHBAMO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1	ZINC000169681853	571557746	/nfs/dbraw/zinc/55/77/46/571557746.db2.gz	MXGSPGQEINOUJY-XCZPVHLTSA-N	1	1	518.589	3.965	50	5		KHBAMO
CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]21	ZINC000226844247	572143576	/nfs/dbraw/zinc/14/35/76/572143576.db2.gz	MUGYCUANFKTYIF-CAFXQFFASA-N	1	1	555.978	3.938	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21c2ccccc2-n2c1nc1ccccc1c2=O	ZINC000226910328	572145518	/nfs/dbraw/zinc/14/55/18/572145518.db2.gz	JYCMFGODEBIGFI-XZSZPMDUSA-N	1	1	535.560	3.593	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21c2ccccc2-n2c1nc1ccccc1c2=O	ZINC000226914582	572145289	/nfs/dbraw/zinc/14/52/89/572145289.db2.gz	ONWBJBXHISTEDI-XZSZPMDUSA-N	1	1	535.560	3.593	50	5		KHBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21	ZINC000245246183	572218625	/nfs/dbraw/zinc/21/86/25/572218625.db2.gz	JRXNTGVUXRNFSS-ADTKTOCISA-N	1	1	508.534	3.918	50	5		KHBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21c2ccccc2-n2c1nc1ccccc1c2=O	ZINC000245310697	572228712	/nfs/dbraw/zinc/22/87/12/572228712.db2.gz	JYCMFGODEBIGFI-DNHJLFCISA-N	1	1	535.560	3.593	50	5		KHBAMO
CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]21	ZINC000245311300	572229479	/nfs/dbraw/zinc/22/94/79/572229479.db2.gz	MUGYCUANFKTYIF-HGPRPZRGSA-N	1	1	555.978	3.938	50	5		KHBAMO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21c2ccccc2-n2c1nc1ccccc1c2=O	ZINC000245311383	572229337	/nfs/dbraw/zinc/22/93/37/572229337.db2.gz	ONWBJBXHISTEDI-DNHJLFCISA-N	1	1	535.560	3.593	50	5		KHBAMO
C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000245327411	572234118	/nfs/dbraw/zinc/23/41/18/572234118.db2.gz	JALTYRGRIXVREM-AFMDSPMNSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000245327411	572234117	/nfs/dbraw/zinc/23/41/17/572234117.db2.gz	JALTYRGRIXVREM-AFMDSPMNSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000245327412	572234018	/nfs/dbraw/zinc/23/40/18/572234018.db2.gz	JALTYRGRIXVREM-NIYFSFCBSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000245327412	572234015	/nfs/dbraw/zinc/23/40/15/572234015.db2.gz	JALTYRGRIXVREM-NIYFSFCBSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H](C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[N@H+]1CCc2sccc2[C@H]1c1ccccc1	ZINC000245328715	572235145	/nfs/dbraw/zinc/23/51/45/572235145.db2.gz	OSBUYQJTYIWVPZ-KBMIEXCESA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H](C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[N@@H+]1CCc2sccc2[C@H]1c1ccccc1	ZINC000245328715	572235144	/nfs/dbraw/zinc/23/51/44/572235144.db2.gz	OSBUYQJTYIWVPZ-KBMIEXCESA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H](C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[N@H+]1CCc2sccc2[C@H]1c1ccccc1	ZINC000245328716	572235316	/nfs/dbraw/zinc/23/53/16/572235316.db2.gz	OSBUYQJTYIWVPZ-UQBPGWFLSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H](C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[N@@H+]1CCc2sccc2[C@H]1c1ccccc1	ZINC000245328716	572235313	/nfs/dbraw/zinc/23/53/13/572235313.db2.gz	OSBUYQJTYIWVPZ-UQBPGWFLSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000245329606	572235997	/nfs/dbraw/zinc/23/59/97/572235997.db2.gz	TZGZOTFAXFWNIP-AFMDSPMNSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000245329606	572235995	/nfs/dbraw/zinc/23/59/95/572235995.db2.gz	TZGZOTFAXFWNIP-AFMDSPMNSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000245329607	572236139	/nfs/dbraw/zinc/23/61/39/572236139.db2.gz	TZGZOTFAXFWNIP-NIYFSFCBSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000245329607	572236136	/nfs/dbraw/zinc/23/61/36/572236136.db2.gz	TZGZOTFAXFWNIP-NIYFSFCBSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[N@H+]1CCc2sccc2[C@H]1c1ccccc1	ZINC000245330605	572236468	/nfs/dbraw/zinc/23/64/68/572236468.db2.gz	ZCZKIKRUBUXWKV-KBMIEXCESA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[N@@H+]1CCc2sccc2[C@H]1c1ccccc1	ZINC000245330605	572236465	/nfs/dbraw/zinc/23/64/65/572236465.db2.gz	ZCZKIKRUBUXWKV-KBMIEXCESA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[N@H+]1CCc2sccc2[C@H]1c1ccccc1	ZINC000245330606	572236475	/nfs/dbraw/zinc/23/64/75/572236475.db2.gz	ZCZKIKRUBUXWKV-UQBPGWFLSA-N	1	1	504.612	3.977	50	5		KHBAMO
C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[N@@H+]1CCc2sccc2[C@H]1c1ccccc1	ZINC000245330606	572236473	/nfs/dbraw/zinc/23/64/73/572236473.db2.gz	ZCZKIKRUBUXWKV-UQBPGWFLSA-N	1	1	504.612	3.977	50	5		KHBAMO
Cc1cccc2c1NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21	ZINC000248329606	572258170	/nfs/dbraw/zinc/25/81/70/572258170.db2.gz	DMEQTYUXDWUOIK-WYDAKKJLSA-N	1	1	508.534	3.918	50	5		KHBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000253488056	572291157	/nfs/dbraw/zinc/29/11/57/572291157.db2.gz	WDALTZNCUKCDTI-ALMNYQQGSA-N	1	1	508.534	3.918	50	5		KHBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12	ZINC000253488057	572291154	/nfs/dbraw/zinc/29/11/54/572291154.db2.gz	WDALTZNCUKCDTI-VZTBDOQQSA-N	1	1	508.534	3.918	50	5		KHBAMO