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-])c1ccccc1-c1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)s1 ZINC000237957682 970405146 /nfs/dbraw/zinc/40/51/46/970405146.db2.gz XOXOCGPMRJIQCN-MRXNPFEDSA-N 1 3 401.532 3.914 20 5 HHBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843956 989092239 /nfs/dbraw/zinc/09/22/39/989092239.db2.gz BJYBITUWUJIZKH-FQEVSTJZSA-N 1 3 410.518 3.686 20 5 HHBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843956 989092247 /nfs/dbraw/zinc/09/22/47/989092247.db2.gz BJYBITUWUJIZKH-FQEVSTJZSA-N 1 3 410.518 3.686 20 5 HHBDHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236949217 970192830 /nfs/dbraw/zinc/19/28/30/970192830.db2.gz RNJTWHJQQGBHBK-INIZCTEOSA-N 1 3 420.941 3.871 20 5 HHBDHO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000237234058 970246349 /nfs/dbraw/zinc/24/63/49/970246349.db2.gz FIJSJVKEUSTLIN-UHFFFAOYSA-N 1 3 408.424 3.655 20 5 HHBDHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000485714229 998181762 /nfs/dbraw/zinc/18/17/62/998181762.db2.gz DUSDMPINGBDYIU-SFHVURJKSA-N 1 3 404.555 3.524 20 5 HHBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471239802 989385634 /nfs/dbraw/zinc/38/56/34/989385634.db2.gz ZQGZINUGQZIAKE-IBGZPJMESA-N 1 3 424.545 3.616 20 5 HHBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471239802 989385639 /nfs/dbraw/zinc/38/56/39/989385639.db2.gz ZQGZINUGQZIAKE-IBGZPJMESA-N 1 3 424.545 3.616 20 5 HHBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549163136 1008734306 /nfs/dbraw/zinc/73/43/06/1008734306.db2.gz YFDBDPLKQKTRCO-NRFANRHFSA-N 1 3 410.518 3.732 20 5 HHBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549165501 1008737526 /nfs/dbraw/zinc/73/75/26/1008737526.db2.gz KOFGFAHMYAPCDV-NRFANRHFSA-N 1 3 410.518 3.732 20 5 HHBDHO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000552080659 1012097769 /nfs/dbraw/zinc/09/77/69/1012097769.db2.gz LRETXKXGCGGWKB-UWJYYQICSA-N 1 3 414.575 3.781 20 5 HHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000537968962 1013545620 /nfs/dbraw/zinc/54/56/20/1013545620.db2.gz GISBRLKFIDXLLK-GOSISDBHSA-N 1 3 410.518 3.580 20 5 HHBDHO Cc1c([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000536856755 1012089736 /nfs/dbraw/zinc/08/97/36/1012089736.db2.gz HURBXUJMUTUFJA-GOSISDBHSA-N 1 3 410.518 3.580 20 5 HHBDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000537309731 1012768005 /nfs/dbraw/zinc/76/80/05/1012768005.db2.gz WGQGPZUJRFGAPO-UHFFFAOYSA-N 1 3 407.898 3.833 20 5 HHBDHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237463864 970293161 /nfs/dbraw/zinc/29/31/61/970293161.db2.gz XVBIXJOJKBZVFM-LJQANCHMSA-N 1 3 411.502 3.756 20 5 HHBDHO Cc1cccc(N2CC[NH+](CCCCNCc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000479896692 999640039 /nfs/dbraw/zinc/64/00/39/999640039.db2.gz ZVBOHNFYNJJITF-UHFFFAOYSA-N 1 3 400.498 3.734 20 5 HHBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000504899804 1000435760 /nfs/dbraw/zinc/43/57/60/1000435760.db2.gz MLFPVYURJKUGNL-UGKGYDQZSA-N 1 3 415.559 3.692 20 5 HHBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000504899804 1000435766 /nfs/dbraw/zinc/43/57/66/1000435766.db2.gz MLFPVYURJKUGNL-UGKGYDQZSA-N 1 3 415.559 3.692 20 5 HHBDHO COc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237425939 970283208 /nfs/dbraw/zinc/28/32/08/970283208.db2.gz LZGRFKXQLYPLDQ-LJQANCHMSA-N 1 3 411.502 3.756 20 5 HHBDHO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)s1 ZINC000237957654 970405189 /nfs/dbraw/zinc/40/51/89/970405189.db2.gz XOXOCGPMRJIQCN-INIZCTEOSA-N 1 3 401.532 3.914 20 5 HHBDHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000442872137 985253450 /nfs/dbraw/zinc/25/34/50/985253450.db2.gz JFWGWYILBRPJFZ-MRXNPFEDSA-N 1 3 402.564 4.000 20 5 HHBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506030090 1001174992 /nfs/dbraw/zinc/17/49/92/1001174992.db2.gz FVSAXDPWEVGKHA-UHFFFAOYSA-N 1 3 405.539 3.706 20 5 HHBDHO O=[N+]([O-])c1ccc(-c2nc(CN3CCC(CCC[NH+]4CCOCC4)CC3)co2)cc1 ZINC000506021052 1001168044 /nfs/dbraw/zinc/16/80/44/1001168044.db2.gz AQIBDQZGVOHRIX-UHFFFAOYSA-N 1 3 414.506 3.574 20 5 HHBDHO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046544 1004147210 /nfs/dbraw/zinc/14/72/10/1004147210.db2.gz PTOIOIXCIVYQRD-UHFFFAOYSA-N 1 3 407.474 3.993 20 5 HHBDHO C[NH+](C)C1CCN(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000538604274 1006876716 /nfs/dbraw/zinc/87/67/16/1006876716.db2.gz NQSZUXLOCFUSCG-UHFFFAOYSA-N 1 3 406.914 3.624 20 5 HHBDHO C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000237465829 970293291 /nfs/dbraw/zinc/29/32/91/970293291.db2.gz QMLRYXIEENOFKK-GOSISDBHSA-N 1 3 407.518 3.996 20 5 HHBDHO COc1ccc(OCCN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000441516329 984298445 /nfs/dbraw/zinc/29/84/45/984298445.db2.gz XZEKTGWGFKYAQE-UHFFFAOYSA-N 1 3 413.518 3.826 20 5 HHBDHO COc1ccc(OCCN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000441516329 984298455 /nfs/dbraw/zinc/29/84/55/984298455.db2.gz XZEKTGWGFKYAQE-UHFFFAOYSA-N 1 3 413.518 3.826 20 5 HHBDHO COc1ccc([C@@H](CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)[NH+](C)C)cc1OC ZINC000443450265 985616456 /nfs/dbraw/zinc/61/64/56/985616456.db2.gz VHJIVGHXHJUKFX-HXUWFJFHSA-N 1 3 410.474 3.605 20 5 HHBDHO CC[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540172723 1008322230 /nfs/dbraw/zinc/32/22/30/1008322230.db2.gz UILQCESFUAGSRW-QFIPXVFZSA-N 1 3 410.518 3.661 20 5 HHBDHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236973557 970198146 /nfs/dbraw/zinc/19/81/46/970198146.db2.gz YTCRNSZDLDUUDK-KRWDZBQOSA-N 1 3 416.497 3.642 20 5 HHBDHO Cn1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237766547 970360581 /nfs/dbraw/zinc/36/05/81/970360581.db2.gz UHGONBBFCNFETC-FQEVSTJZSA-N 1 3 419.529 3.650 20 5 HHBDHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000485714228 998181395 /nfs/dbraw/zinc/18/13/95/998181395.db2.gz DUSDMPINGBDYIU-GOSISDBHSA-N 1 3 404.555 3.524 20 5 HHBDHO CCc1ccc([C@H](NCC2CC[NH+](CCN(C)C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545430 1012331806 /nfs/dbraw/zinc/33/18/06/1012331806.db2.gz MWUKCALANACPHD-HSZRJFAPSA-N 1 3 414.550 3.703 20 5 HHBDHO CCN1CCN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236944343 970192205 /nfs/dbraw/zinc/19/22/05/970192205.db2.gz KYSIRCRHCHBMBD-UHFFFAOYSA-N 1 3 416.497 3.643 20 5 HHBDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236953295 970193605 /nfs/dbraw/zinc/19/36/05/970193605.db2.gz RNJTWHJQQGBHBK-MRXNPFEDSA-N 1 3 420.941 3.871 20 5 HHBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000504899802 1000436016 /nfs/dbraw/zinc/43/60/16/1000436016.db2.gz MLFPVYURJKUGNL-KNQAVFIVSA-N 1 3 415.559 3.692 20 5 HHBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000504899802 1000436027 /nfs/dbraw/zinc/43/60/27/1000436027.db2.gz MLFPVYURJKUGNL-KNQAVFIVSA-N 1 3 415.559 3.692 20 5 HHBDHO COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506880602 1001578172 /nfs/dbraw/zinc/57/81/72/1001578172.db2.gz JGXGEIHZMSYSLO-UHFFFAOYSA-N 1 3 413.518 3.956 20 5 HHBDHO C[NH+](C)C1CCN(CCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000531142075 1006014821 /nfs/dbraw/zinc/01/48/21/1006014821.db2.gz IHECIKZCAFGCQL-UHFFFAOYSA-N 1 3 416.497 3.642 20 5 HHBDHO Cc1c([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000536856768 1012090499 /nfs/dbraw/zinc/09/04/99/1012090499.db2.gz HURBXUJMUTUFJA-SFHVURJKSA-N 1 3 410.518 3.580 20 5 HHBDHO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)s2)cc1 ZINC000238000519 970414674 /nfs/dbraw/zinc/41/46/74/970414674.db2.gz SVPNOQVPZQDCSK-MRXNPFEDSA-N 1 3 401.532 3.914 20 5 HHBDHO Cc1c(NC(=O)CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837838 989081947 /nfs/dbraw/zinc/08/19/47/989081947.db2.gz VEKCFIRQSKZNJS-HXUWFJFHSA-N 1 3 410.518 3.686 20 5 HHBDHO Cc1c(NC(=O)CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837838 989081961 /nfs/dbraw/zinc/08/19/61/989081961.db2.gz VEKCFIRQSKZNJS-HXUWFJFHSA-N 1 3 410.518 3.686 20 5 HHBDHO Cc1ccc([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000536855696 1012088951 /nfs/dbraw/zinc/08/89/51/1012088951.db2.gz BJSWFQJOXNTBTR-SFHVURJKSA-N 1 3 410.518 3.580 20 5 HHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000537968963 1013546100 /nfs/dbraw/zinc/54/61/00/1013546100.db2.gz GISBRLKFIDXLLK-SFHVURJKSA-N 1 3 410.518 3.580 20 5 HHBDHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237443371 970289323 /nfs/dbraw/zinc/28/93/23/970289323.db2.gz XVBIXJOJKBZVFM-IBGZPJMESA-N 1 3 411.502 3.756 20 5 HHBDHO Cc1c(NC(=O)CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837837 989081346 /nfs/dbraw/zinc/08/13/46/989081346.db2.gz VEKCFIRQSKZNJS-FQEVSTJZSA-N 1 3 410.518 3.686 20 5 HHBDHO Cc1c(NC(=O)CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000464837837 989081352 /nfs/dbraw/zinc/08/13/52/989081352.db2.gz VEKCFIRQSKZNJS-FQEVSTJZSA-N 1 3 410.518 3.686 20 5 HHBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843131 989090209 /nfs/dbraw/zinc/09/02/09/989090209.db2.gz QKCSZKJDTVEIKY-HXUWFJFHSA-N 1 3 410.518 3.686 20 5 HHBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843131 989090217 /nfs/dbraw/zinc/09/02/17/989090217.db2.gz QKCSZKJDTVEIKY-HXUWFJFHSA-N 1 3 410.518 3.686 20 5 HHBDHO Cc1ccc(Sc2ccc(CNCC3(O)CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000538419280 1006688197 /nfs/dbraw/zinc/68/81/97/1006688197.db2.gz IBNZHYMAOYSVTJ-UHFFFAOYSA-N 1 3 401.532 3.601 20 5 HHBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000536854428 1012087216 /nfs/dbraw/zinc/08/72/16/1012087216.db2.gz VBOKAMRJTFMSKT-YVWKXTFCSA-N 1 3 407.580 3.823 20 5 HHBDHO CN1CCN(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1(C)C ZINC000441368968 984213004 /nfs/dbraw/zinc/21/30/04/984213004.db2.gz LRCIDSKARXXDPF-UHFFFAOYSA-N 1 3 416.497 3.642 20 5 HHBDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000531863953 1006484127 /nfs/dbraw/zinc/48/41/27/1006484127.db2.gz YNMYAEGZUDBLSC-UHFFFAOYSA-N 1 3 412.534 3.688 20 5 HHBDHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000442872136 985253613 /nfs/dbraw/zinc/25/36/13/985253613.db2.gz JFWGWYILBRPJFZ-INIZCTEOSA-N 1 3 402.564 4.000 20 5 HHBDHO CN1CCN(CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000539442969 1007754222 /nfs/dbraw/zinc/75/42/22/1007754222.db2.gz GIDGCHROSYRNGM-UHFFFAOYSA-N 1 3 406.914 3.625 20 5 HHBDHO Cn1cc(CNC2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237751754 970354225 /nfs/dbraw/zinc/35/42/25/970354225.db2.gz ABMRELHJVYVPAU-UHFFFAOYSA-N 1 3 405.502 3.750 20 5 HHBDHO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000538724085 1007002392 /nfs/dbraw/zinc/00/23/92/1007002392.db2.gz QWVQADXTUZXXQS-XLIONFOSSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1N1CCN(C)CC1 ZINC000538724085 1007002406 /nfs/dbraw/zinc/00/24/06/1007002406.db2.gz QWVQADXTUZXXQS-XLIONFOSSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1N1CCN(C)CC1 ZINC000538724085 1007002419 /nfs/dbraw/zinc/00/24/19/1007002419.db2.gz QWVQADXTUZXXQS-XLIONFOSSA-N 1 3 414.575 3.781 20 5 HHBDHO COc1ccc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000554842492 1014071567 /nfs/dbraw/zinc/07/15/67/1014071567.db2.gz XFSBSGTUHYTFOF-QFIPXVFZSA-N 1 3 413.518 3.873 20 5 HHBDHO COc1ccc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000554842492 1014071569 /nfs/dbraw/zinc/07/15/69/1014071569.db2.gz XFSBSGTUHYTFOF-QFIPXVFZSA-N 1 3 413.518 3.873 20 5 HHBDHO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000538724086 1007001797 /nfs/dbraw/zinc/00/17/97/1007001797.db2.gz QWVQADXTUZXXQS-YLJYHZDGSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1N1CCN(C)CC1 ZINC000538724086 1007001813 /nfs/dbraw/zinc/00/18/13/1007001813.db2.gz QWVQADXTUZXXQS-YLJYHZDGSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1N1CCN(C)CC1 ZINC000538724086 1007001827 /nfs/dbraw/zinc/00/18/27/1007001827.db2.gz QWVQADXTUZXXQS-YLJYHZDGSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000552080656 1012095725 /nfs/dbraw/zinc/09/57/25/1012095725.db2.gz LRETXKXGCGGWKB-DYESRHJHSA-N 1 3 414.575 3.781 20 5 HHBDHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000236977130 970197656 /nfs/dbraw/zinc/19/76/56/970197656.db2.gz YTCRNSZDLDUUDK-QGZVFWFLSA-N 1 3 416.497 3.642 20 5 HHBDHO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)s2)cc1 ZINC000238000484 970414903 /nfs/dbraw/zinc/41/49/03/970414903.db2.gz SVPNOQVPZQDCSK-INIZCTEOSA-N 1 3 401.532 3.914 20 5 HHBDHO COc1ccc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000554842491 1014071482 /nfs/dbraw/zinc/07/14/82/1014071482.db2.gz XFSBSGTUHYTFOF-JOCHJYFZSA-N 1 3 413.518 3.873 20 5 HHBDHO COc1ccc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC000554842491 1014071487 /nfs/dbraw/zinc/07/14/87/1014071487.db2.gz XFSBSGTUHYTFOF-JOCHJYFZSA-N 1 3 413.518 3.873 20 5 HHBDHO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000552080657 1012096427 /nfs/dbraw/zinc/09/64/27/1012096427.db2.gz LRETXKXGCGGWKB-LAUBAEHRSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@H]1C[NH+](CCCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000237610873 970322385 /nfs/dbraw/zinc/32/23/85/970322385.db2.gz RXFXZJVYIPMDQD-HOTGVXAUSA-N 1 3 404.536 3.697 20 5 HHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000492937971 1000150516 /nfs/dbraw/zinc/15/05/16/1000150516.db2.gz VTLIHGCIOZSJFZ-LJQANCHMSA-N 1 3 416.566 3.668 20 5 HHBDHO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000538724083 1007001430 /nfs/dbraw/zinc/00/14/30/1007001430.db2.gz QWVQADXTUZXXQS-FXAWDEMLSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1N1CCN(C)CC1 ZINC000538724083 1007001445 /nfs/dbraw/zinc/00/14/45/1007001445.db2.gz QWVQADXTUZXXQS-FXAWDEMLSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1N1CCN(C)CC1 ZINC000538724083 1007001459 /nfs/dbraw/zinc/00/14/59/1007001459.db2.gz QWVQADXTUZXXQS-FXAWDEMLSA-N 1 3 414.575 3.781 20 5 HHBDHO Cn1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539416451 1007723967 /nfs/dbraw/zinc/72/39/67/1007723967.db2.gz QOXQJLWRUKWIEP-UHFFFAOYSA-N 1 3 405.502 3.881 20 5 HHBDHO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@]3(O)CCN(C)C3)cc2[N+](=O)[O-])c1 ZINC000545148604 1010649323 /nfs/dbraw/zinc/64/93/23/1010649323.db2.gz PHPKRNNLPNCYHO-HSZRJFAPSA-N 1 3 413.518 3.975 20 5 HHBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000536854411 1012087543 /nfs/dbraw/zinc/08/75/43/1012087543.db2.gz VBOKAMRJTFMSKT-IMFGXOCKSA-N 1 3 407.580 3.823 20 5 HHBDHO C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000237567689 970315298 /nfs/dbraw/zinc/31/52/98/970315298.db2.gz QMLRYXIEENOFKK-SFHVURJKSA-N 1 3 407.518 3.996 20 5 HHBDHO COc1ccc(OCCNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000469760440 987414343 /nfs/dbraw/zinc/41/43/43/987414343.db2.gz KIECTYHVGNUIGW-ROUUACIJSA-N 1 3 413.518 3.728 20 5 HHBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471239803 989385767 /nfs/dbraw/zinc/38/57/67/989385767.db2.gz ZQGZINUGQZIAKE-LJQANCHMSA-N 1 3 424.545 3.616 20 5 HHBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471239803 989385779 /nfs/dbraw/zinc/38/57/79/989385779.db2.gz ZQGZINUGQZIAKE-LJQANCHMSA-N 1 3 424.545 3.616 20 5 HHBDHO O=[N+]([O-])c1ccc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000478380782 998927662 /nfs/dbraw/zinc/92/76/62/998927662.db2.gz DBFAPMSUVZGQDJ-UHFFFAOYSA-N 1 3 401.482 3.895 20 5 HHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000492937970 1000150432 /nfs/dbraw/zinc/15/04/32/1000150432.db2.gz VTLIHGCIOZSJFZ-IBGZPJMESA-N 1 3 416.566 3.668 20 5 HHBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000504899803 1000435690 /nfs/dbraw/zinc/43/56/90/1000435690.db2.gz MLFPVYURJKUGNL-SIKLNZKXSA-N 1 3 415.559 3.692 20 5 HHBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000504899803 1000435698 /nfs/dbraw/zinc/43/56/98/1000435698.db2.gz MLFPVYURJKUGNL-SIKLNZKXSA-N 1 3 415.559 3.692 20 5 HHBDHO CC[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540172722 1008322010 /nfs/dbraw/zinc/32/20/10/1008322010.db2.gz UILQCESFUAGSRW-JOCHJYFZSA-N 1 3 410.518 3.661 20 5 HHBDHO C[NH+](C)CCOc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccn1 ZINC000537508271 1013020935 /nfs/dbraw/zinc/02/09/35/1013020935.db2.gz FJKLFWAFILRKDE-UHFFFAOYSA-N 1 3 412.515 3.949 20 5 HHBDHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000236944870 970192114 /nfs/dbraw/zinc/19/21/14/970192114.db2.gz YPONHVYGUCYJHE-UHFFFAOYSA-N 1 3 406.914 3.625 20 5 HHBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000468628105 986345330 /nfs/dbraw/zinc/34/53/30/986345330.db2.gz DCVSEGFRXZRRBW-CYVLTUHYSA-N 1 3 422.529 3.614 20 5 HHBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471244597 989391093 /nfs/dbraw/zinc/39/10/93/989391093.db2.gz QTDNMGXGICUHEM-LJQANCHMSA-N 1 3 424.545 3.616 20 5 HHBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471244597 989391102 /nfs/dbraw/zinc/39/11/02/989391102.db2.gz QTDNMGXGICUHEM-LJQANCHMSA-N 1 3 424.545 3.616 20 5 HHBDHO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@@]3(O)CCN(C)C3)cc2[N+](=O)[O-])c1 ZINC000545148605 1010648864 /nfs/dbraw/zinc/64/88/64/1010648864.db2.gz PHPKRNNLPNCYHO-QHCPKHFHSA-N 1 3 413.518 3.975 20 5 HHBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000536854425 1012086941 /nfs/dbraw/zinc/08/69/41/1012086941.db2.gz VBOKAMRJTFMSKT-POAQFYNOSA-N 1 3 407.580 3.823 20 5 HHBDHO CCc1ccc([C@@H](NCC2CC[NH+](CCN(C)C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541545432 1012331590 /nfs/dbraw/zinc/33/15/90/1012331590.db2.gz MWUKCALANACPHD-QHCPKHFHSA-N 1 3 414.550 3.703 20 5 HHBDHO C[C@@H]1C[NH+](CCCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000237405129 970278860 /nfs/dbraw/zinc/27/88/60/970278860.db2.gz RXFXZJVYIPMDQD-HZPDHXFCSA-N 1 3 404.536 3.697 20 5 HHBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843130 989090830 /nfs/dbraw/zinc/09/08/30/989090830.db2.gz QKCSZKJDTVEIKY-FQEVSTJZSA-N 1 3 410.518 3.686 20 5 HHBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843130 989090839 /nfs/dbraw/zinc/09/08/39/989090839.db2.gz QKCSZKJDTVEIKY-FQEVSTJZSA-N 1 3 410.518 3.686 20 5 HHBDHO Cc1ccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000536855670 1012088055 /nfs/dbraw/zinc/08/80/55/1012088055.db2.gz BJSWFQJOXNTBTR-GOSISDBHSA-N 1 3 410.518 3.580 20 5 HHBDHO C[C@@H]1C[N@@H+](CCCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000237610841 970322406 /nfs/dbraw/zinc/32/24/06/970322406.db2.gz RXFXZJVYIPMDQD-IYBDPMFKSA-N 1 3 404.536 3.697 20 5 HHBDHO C[C@@H]1C[N@H+](CCCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000237610841 970322415 /nfs/dbraw/zinc/32/24/15/970322415.db2.gz RXFXZJVYIPMDQD-IYBDPMFKSA-N 1 3 404.536 3.697 20 5 HHBDHO Cn1cc(CNCCC[N@@H+]2CCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237757968 970356034 /nfs/dbraw/zinc/35/60/34/970356034.db2.gz AEPVRQDRORRBRM-UHFFFAOYSA-N 1 3 405.502 3.533 20 5 HHBDHO Cn1cc(CNCCC[N@H+]2CCc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237757968 970356044 /nfs/dbraw/zinc/35/60/44/970356044.db2.gz AEPVRQDRORRBRM-UHFFFAOYSA-N 1 3 405.502 3.533 20 5 HHBDHO Cn1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237769635 970361818 /nfs/dbraw/zinc/36/18/18/970361818.db2.gz UHGONBBFCNFETC-HXUWFJFHSA-N 1 3 419.529 3.650 20 5 HHBDHO CCOc1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000492661005 1000137556 /nfs/dbraw/zinc/13/75/56/1000137556.db2.gz ZLTYTZRZSYOPOA-UHFFFAOYSA-N 1 3 418.582 3.622 20 5 HHBDHO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000538724084 1007001618 /nfs/dbraw/zinc/00/16/18/1007001618.db2.gz QWVQADXTUZXXQS-PXNSSMCTSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1N1CCN(C)CC1 ZINC000538724084 1007001627 /nfs/dbraw/zinc/00/16/27/1007001627.db2.gz QWVQADXTUZXXQS-PXNSSMCTSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1N1CCN(C)CC1 ZINC000538724084 1007001645 /nfs/dbraw/zinc/00/16/45/1007001645.db2.gz QWVQADXTUZXXQS-PXNSSMCTSA-N 1 3 414.575 3.781 20 5 HHBDHO CN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC[NH+](CCO)CC1 ZINC000513517783 1005001567 /nfs/dbraw/zinc/00/15/67/1005001567.db2.gz BAXZPJPKAIOVPD-UHFFFAOYSA-N 1 3 419.909 3.929 20 5 HHBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549165503 1008738407 /nfs/dbraw/zinc/73/84/07/1008738407.db2.gz KOFGFAHMYAPCDV-OAQYLSRUSA-N 1 3 410.518 3.732 20 5 HHBDHO COc1ccc([C@H](CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)[NH+](C)C)cc1OC ZINC000443450264 985616677 /nfs/dbraw/zinc/61/66/77/985616677.db2.gz VHJIVGHXHJUKFX-FQEVSTJZSA-N 1 3 410.474 3.605 20 5 HHBDHO COc1ccc(OCCN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000469760438 987414004 /nfs/dbraw/zinc/41/40/04/987414004.db2.gz KIECTYHVGNUIGW-CYGODWOOSA-N 1 3 413.518 3.728 20 5 HHBDHO COc1ccc(OCCN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000469760438 987414010 /nfs/dbraw/zinc/41/40/10/987414010.db2.gz KIECTYHVGNUIGW-CYGODWOOSA-N 1 3 413.518 3.728 20 5 HHBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471244596 989391324 /nfs/dbraw/zinc/39/13/24/989391324.db2.gz QTDNMGXGICUHEM-IBGZPJMESA-N 1 3 424.545 3.616 20 5 HHBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471244596 989391330 /nfs/dbraw/zinc/39/13/30/989391330.db2.gz QTDNMGXGICUHEM-IBGZPJMESA-N 1 3 424.545 3.616 20 5 HHBDHO CN1CCC[N@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000729684410 1071807617 /nfs/dbraw/zinc/80/76/17/1071807617.db2.gz OPFPCBNNCFANLZ-UHFFFAOYSA-N 1 3 406.914 3.625 20 5 HHBDHO CN1CCC[N@@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000729684410 1071807627 /nfs/dbraw/zinc/80/76/27/1071807627.db2.gz OPFPCBNNCFANLZ-UHFFFAOYSA-N 1 3 406.914 3.625 20 5 HHBDHO COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237412627 970280241 /nfs/dbraw/zinc/28/02/41/970280241.db2.gz LZGRFKXQLYPLDQ-IBGZPJMESA-N 1 3 411.502 3.756 20 5 HHBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000468628107 986345047 /nfs/dbraw/zinc/34/50/47/986345047.db2.gz DCVSEGFRXZRRBW-XDJHFCHBSA-N 1 3 422.529 3.614 20 5 HHBDHO COc1ccc(OCCNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000469760439 987414275 /nfs/dbraw/zinc/41/42/75/987414275.db2.gz KIECTYHVGNUIGW-QZTJIDSGSA-N 1 3 413.518 3.728 20 5 HHBDHO COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506865210 1001571630 /nfs/dbraw/zinc/57/16/30/1001571630.db2.gz DROZCGCQAUHMKT-UHFFFAOYSA-N 1 3 413.518 3.956 20 5 HHBDHO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044804 1004146428 /nfs/dbraw/zinc/14/64/28/1004146428.db2.gz KPJNEEPVLFJETJ-MRXNPFEDSA-N 1 3 422.489 3.949 20 5 HHBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549163151 1008734540 /nfs/dbraw/zinc/73/45/40/1008734540.db2.gz YFDBDPLKQKTRCO-OAQYLSRUSA-N 1 3 410.518 3.732 20 5 HHBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000536854421 1012086827 /nfs/dbraw/zinc/08/68/27/1012086827.db2.gz VBOKAMRJTFMSKT-KPFFTGBYSA-N 1 3 407.580 3.823 20 5 HHBDHO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000552080658 1012096153 /nfs/dbraw/zinc/09/61/53/1012096153.db2.gz LRETXKXGCGGWKB-UTKZUKDTSA-N 1 3 414.575 3.781 20 5 HHBDHO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044803 1004146450 /nfs/dbraw/zinc/14/64/50/1004146450.db2.gz KPJNEEPVLFJETJ-INIZCTEOSA-N 1 3 422.489 3.949 20 5 HHBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843957 989091855 /nfs/dbraw/zinc/09/18/55/989091855.db2.gz BJYBITUWUJIZKH-HXUWFJFHSA-N 1 3 410.518 3.686 20 5 HHBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843957 989091863 /nfs/dbraw/zinc/09/18/63/989091863.db2.gz BJYBITUWUJIZKH-HXUWFJFHSA-N 1 3 410.518 3.686 20 5 HHBDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000532374707 1006830687 /nfs/dbraw/zinc/83/06/87/1006830687.db2.gz SBOBNXVULHNXPI-UHFFFAOYSA-N 1 3 417.481 3.851 20 5 HHBDHO C[NH+]1CCC(N2CCC(Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)CC1 ZINC000485399296 997829371 /nfs/dbraw/zinc/82/93/71/997829371.db2.gz BKTLXQOGHGRZAJ-UHFFFAOYSA-N 1 3 413.497 3.766 20 5 HHBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000504899801 1000436117 /nfs/dbraw/zinc/43/61/17/1000436117.db2.gz MLFPVYURJKUGNL-DENIHFKCSA-N 1 3 415.559 3.692 20 5 HHBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000504899801 1000436122 /nfs/dbraw/zinc/43/61/22/1000436122.db2.gz MLFPVYURJKUGNL-DENIHFKCSA-N 1 3 415.559 3.692 20 5 HHBDHO