smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H](C[NH+]2CCCC2)Nc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000095468672 913485092 /nfs/dbraw/zinc/48/50/92/913485092.db2.gz LOAILXYQURKRDG-KRWDZBQOSA-N 1 0 381.436 3.500 50 5 GHBARO COc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+]2CCCCCC2)cc1 ZINC000027793777 900347825 /nfs/dbraw/zinc/34/78/25/900347825.db2.gz WQYOWKTVDIMTDY-NRFANRHFSA-N 1 0 397.475 3.951 50 5 GHBARO O=C(c1cc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000071821602 205298364 /nfs/dbraw/zinc/29/83/64/205298364.db2.gz TUZCCCYYTFHNBL-UHFFFAOYSA-N 1 0 384.480 3.804 50 5 GHBARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000008609594 221046582 /nfs/dbraw/zinc/04/65/82/221046582.db2.gz CJUJYMSRCLDGPE-HNNXBMFYSA-N 1 0 379.460 3.853 50 5 GHBARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000012915604 570293149 /nfs/dbraw/zinc/29/31/49/570293149.db2.gz GUVOUZDDLZGOAH-UHFFFAOYSA-N 1 0 397.431 3.707 50 5 GHBARO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)c1 ZINC000023283530 571049452 /nfs/dbraw/zinc/04/94/52/571049452.db2.gz QITPMXLLRCYSMI-UHFFFAOYSA-N 1 0 391.265 3.841 50 5 GHBARO Cc1ccc(C(=O)C(C(=S)NCc2ccco2)[n+]2ccccc2)cc1[N+](=O)[O-] ZINC000015953173 847059163 /nfs/dbraw/zinc/05/91/63/847059163.db2.gz ZRGSGGRNVHYNKQ-UHFFFAOYSA-O 1 0 396.448 3.785 50 5 GHBARO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000003413807 862394200 /nfs/dbraw/zinc/39/42/00/862394200.db2.gz ZGXZQLNSKLKRSN-KRWDZBQOSA-N 1 0 383.473 3.570 50 5 GHBARO COc1ccccc1[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000013000717 899062371 /nfs/dbraw/zinc/06/23/71/899062371.db2.gz GIOGRCYWZTWUCL-SFHVURJKSA-N 1 0 384.436 3.562 50 5 GHBARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000008746217 204287049 /nfs/dbraw/zinc/28/70/49/204287049.db2.gz GTMNTSZVRMQZQC-QUCCMNQESA-N 1 0 397.500 3.830 50 5 GHBARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000252675680 570481235 /nfs/dbraw/zinc/48/12/35/570481235.db2.gz USQDQEIRSRCUKV-OXQOHEQNSA-N 1 0 382.464 3.969 50 5 GHBARO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000170591564 570849415 /nfs/dbraw/zinc/84/94/15/570849415.db2.gz HYTUQIJTANXKBF-CRAIPNDOSA-N 1 0 385.439 3.840 50 5 GHBARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000040107102 856664424 /nfs/dbraw/zinc/66/44/24/856664424.db2.gz NEMHYXYPHFUOBG-KRWDZBQOSA-N 1 0 381.476 3.686 50 5 GHBARO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000048310357 205118739 /nfs/dbraw/zinc/11/87/39/205118739.db2.gz OCANHHDRTPSQPM-HOTGVXAUSA-N 1 0 396.491 3.706 50 5 GHBARO CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[N+](C)(C)C3 ZINC000000870352 570679492 /nfs/dbraw/zinc/67/94/92/570679492.db2.gz UEQQAMQPUJOCSO-UHFFFAOYSA-N 1 0 386.566 3.555 50 5 GHBARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000263585794 570914685 /nfs/dbraw/zinc/91/46/85/570914685.db2.gz MPANFRBATGWFFA-DOTOQJQBSA-N 1 0 391.427 3.636 50 5 biogenic GHBARO C[NH+](C)CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000004585273 570916224 /nfs/dbraw/zinc/91/62/24/570916224.db2.gz FSJDFFYBQYULRM-ZHACJKMWSA-N 1 0 396.472 3.813 50 5 GHBARO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc2ccccc2s1 ZINC000004585310 570916677 /nfs/dbraw/zinc/91/66/77/570916677.db2.gz DVVYTYHDKGJVJY-UHFFFAOYSA-N 1 0 388.449 3.786 50 5 GHBARO O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000008310402 204270121 /nfs/dbraw/zinc/27/01/21/204270121.db2.gz KWTXEYYVLCDWKT-GOSISDBHSA-N 1 0 397.431 3.532 50 5 GHBARO O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000008310403 204270984 /nfs/dbraw/zinc/27/09/84/204270984.db2.gz KWTXEYYVLCDWKT-SFHVURJKSA-N 1 0 397.431 3.532 50 5 GHBARO COc1cc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000036396712 204319682 /nfs/dbraw/zinc/31/96/82/204319682.db2.gz OKOHJTVRBZSXQN-UHFFFAOYSA-N 1 0 382.363 3.716 50 5 GHBARO COc1cccc(N(C(C)=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000037587441 205029898 /nfs/dbraw/zinc/02/98/98/205029898.db2.gz CBRTXVFCAYFHSR-UHFFFAOYSA-N 1 0 383.448 3.621 50 5 GHBARO CNc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000007257920 205789246 /nfs/dbraw/zinc/78/92/46/205789246.db2.gz IKRUTCDLBOCHGQ-UHFFFAOYSA-N 1 0 382.464 3.552 50 5 GHBARO C[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)nc2)CC1 ZINC000053745922 570340845 /nfs/dbraw/zinc/34/08/45/570340845.db2.gz XAZRXIMDAAJUPT-UHFFFAOYSA-N 1 0 397.482 3.787 50 5 GHBARO CNc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000007257669 570821547 /nfs/dbraw/zinc/82/15/47/570821547.db2.gz XNHZAIMCILMQHP-UHFFFAOYSA-N 1 0 382.464 3.552 50 5 GHBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000012690081 570949275 /nfs/dbraw/zinc/94/92/75/570949275.db2.gz GTMNTSZVRMQZQC-AZUAARDMSA-N 1 0 397.500 3.830 50 5 GHBARO CCOc1ccc(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)cc1 ZINC000002974603 862074810 /nfs/dbraw/zinc/07/48/10/862074810.db2.gz LLEYTZYGEMCQIX-QFIPXVFZSA-N 1 0 396.467 3.644 50 5 GHBARO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000095468671 913484827 /nfs/dbraw/zinc/48/48/27/913484827.db2.gz LOAILXYQURKRDG-QGZVFWFLSA-N 1 0 381.436 3.500 50 5 GHBARO COC(=O)c1cc(N[C@H](C[NH+]2CCCC2)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000095468675 913484970 /nfs/dbraw/zinc/48/49/70/913484970.db2.gz GXRICNZVJLOURY-LJQANCHMSA-N 1 0 399.447 3.639 50 5 GHBARO CCCCCCC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1 ZINC000004367452 204042065 /nfs/dbraw/zinc/04/20/65/204042065.db2.gz CPFYLBWQSSXHDJ-OAQYLSRUSA-N 1 0 378.533 3.562 50 5 GHBARO O=[N+]([O-])c1ccccc1CN1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000004712141 204067596 /nfs/dbraw/zinc/06/75/96/204067596.db2.gz UEORUNVMRNBSCX-UHFFFAOYSA-N 1 0 398.482 3.521 50 5 GHBARO C[NH+](C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000072295879 570220016 /nfs/dbraw/zinc/22/00/16/570220016.db2.gz VHLOMDKNWKUCMP-LSDHHAIUSA-N 1 0 377.828 3.721 50 5 GHBARO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000003413811 570606771 /nfs/dbraw/zinc/60/67/71/570606771.db2.gz ZGXZQLNSKLKRSN-QGZVFWFLSA-N 1 0 383.473 3.570 50 5 GHBARO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000040154247 205059206 /nfs/dbraw/zinc/05/92/06/205059206.db2.gz POHCKJLZBQRDTP-MRXNPFEDSA-N 1 0 375.450 3.831 50 5 GHBARO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000008594876 221045562 /nfs/dbraw/zinc/04/55/62/221045562.db2.gz CJUJYMSRCLDGPE-OAHLLOKOSA-N 1 0 379.460 3.853 50 5 GHBARO O=C(c1ccccc1)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000048275792 570230065 /nfs/dbraw/zinc/23/00/65/570230065.db2.gz GHJFOIBUBFPEOP-LJQANCHMSA-N 1 0 379.460 3.890 50 5 GHBARO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCCCC2)cc1 ZINC000027582965 855238487 /nfs/dbraw/zinc/23/84/87/855238487.db2.gz GWRWPZYGKYWJEC-NRFANRHFSA-N 1 0 397.475 3.951 50 5 GHBARO CCCCCCC(=O)O[C@H](COCc1ccccc1)C[N+]1(C)CCOCC1 ZINC000004367450 204041910 /nfs/dbraw/zinc/04/19/10/204041910.db2.gz CPFYLBWQSSXHDJ-NRFANRHFSA-N 1 0 378.533 3.562 50 5 GHBARO O=[N+]([O-])c1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(Cl)cc2)cc1 ZINC000002569239 203948862 /nfs/dbraw/zinc/94/88/62/203948862.db2.gz XQYJFLZKJCMCGV-HXUWFJFHSA-N 1 0 386.859 3.899 50 5 GHBARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000012998578 204476054 /nfs/dbraw/zinc/47/60/54/204476054.db2.gz SOKLNUMNVNYVKH-UHFFFAOYSA-N 1 0 383.448 3.519 50 5 GHBARO Cc1c(CCOC(=O)c2ccc([N+](=O)[O-])cc2)sc[n+]1Cc1ccccc1 ZINC000003193781 862243924 /nfs/dbraw/zinc/24/39/24/862243924.db2.gz WTKCRUBKNDSHAD-UHFFFAOYSA-N 1 0 383.449 3.700 50 5 GHBARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000040106640 205052081 /nfs/dbraw/zinc/05/20/81/205052081.db2.gz LLVHVTCVVGCPMY-KRWDZBQOSA-N 1 0 397.475 3.522 50 5 GHBARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000079046102 844480534 /nfs/dbraw/zinc/48/05/34/844480534.db2.gz USQDQEIRSRCUKV-JXFKEZNVSA-N 1 0 382.464 3.969 50 5 GHBARO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000006560491 204184297 /nfs/dbraw/zinc/18/42/97/204184297.db2.gz ZMIGHWJYWLROIA-UHFFFAOYSA-N 1 0 391.537 3.992 50 5 GHBARO C[NH+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007531202 204242183 /nfs/dbraw/zinc/24/21/83/204242183.db2.gz CNQZMKKDQAWIJA-UHFFFAOYSA-N 1 0 378.523 3.807 50 5 GHBARO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000096876703 205575839 /nfs/dbraw/zinc/57/58/39/205575839.db2.gz ZLOXHWGWBHOBHV-UHFFFAOYSA-N 1 0 391.265 3.841 50 5 GHBARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000032930258 206095906 /nfs/dbraw/zinc/09/59/06/206095906.db2.gz NNFAXAGSORMCLW-QGZVFWFLSA-N 1 0 397.475 3.664 50 5 GHBARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000040107101 856664335 /nfs/dbraw/zinc/66/43/35/856664335.db2.gz NEMHYXYPHFUOBG-QGZVFWFLSA-N 1 0 381.476 3.686 50 5 GHBARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000040106639 205053220 /nfs/dbraw/zinc/05/32/20/205053220.db2.gz LLVHVTCVVGCPMY-QGZVFWFLSA-N 1 0 397.475 3.522 50 5 GHBARO CC(C)(C)N[N+](=O)c1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC000255188821 526335912 /nfs/dbraw/zinc/33/59/12/526335912.db2.gz LVHQICMWLMVZQH-UHFFFAOYSA-N 1 0 382.032 3.833 50 5 GHBARO CCOc1ccc(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)cc1 ZINC000002974609 862074788 /nfs/dbraw/zinc/07/47/88/862074788.db2.gz AQYJMZLHQAXLLE-JOCHJYFZSA-N 1 0 396.467 3.644 50 5 GHBARO C[NH+](C)CCNC(=O)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003020112 862112184 /nfs/dbraw/zinc/11/21/84/862112184.db2.gz JLWFSLFGBJZHML-UHFFFAOYSA-N 1 0 379.869 3.691 50 5 GHBARO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000040154248 205059470 /nfs/dbraw/zinc/05/94/70/205059470.db2.gz POHCKJLZBQRDTP-INIZCTEOSA-N 1 0 375.450 3.831 50 5 GHBARO O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000013786983 570678042 /nfs/dbraw/zinc/67/80/42/570678042.db2.gz PKGUZQJBKYGDFJ-UHFFFAOYSA-N 1 0 382.827 3.833 50 5 GHBARO C[C@@H]1C[C@H](OC[C@@H](O)C[N+]2(Cc3ccccc3)CCOCC2)CC(C)(C)C1 ZINC000013306576 570753188 /nfs/dbraw/zinc/75/31/88/570753188.db2.gz KBXHLTQMFWDNAE-HJNYFJLDSA-N 1 0 376.561 3.626 50 5 GHBARO COc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000011172726 204342624 /nfs/dbraw/zinc/34/26/24/204342624.db2.gz RDBUUAFNKGDXIQ-UHFFFAOYSA-N 1 0 375.856 3.969 50 5 GHBARO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000063485883 205185437 /nfs/dbraw/zinc/18/54/37/205185437.db2.gz URJCSBNCUMBQEX-UHFFFAOYSA-N 1 0 389.883 3.885 50 5 GHBARO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000047996058 570216671 /nfs/dbraw/zinc/21/66/71/570216671.db2.gz ODKKPJCARWDCLF-AWEZNQCLSA-N 1 0 377.404 3.923 50 5 GHBARO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000048367132 570246835 /nfs/dbraw/zinc/24/68/35/570246835.db2.gz QGGMFBDKJPKDTL-UHFFFAOYSA-N 1 0 383.448 3.763 50 5 GHBARO O=C(OC1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000012503068 570674903 /nfs/dbraw/zinc/67/49/03/570674903.db2.gz OYYDSUSKLWTMMQ-AIZNXBIQSA-N 1 0 392.519 3.770 50 5 fda GHBARO CCOc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000017138731 570928602 /nfs/dbraw/zinc/92/86/02/570928602.db2.gz AGMYGHPGKGWLBH-QFIPXVFZSA-N 1 0 396.467 3.644 50 5 GHBARO O=[N+]([O-])c1ccc2nc3c4ccccc4n(CCC[NH+]4CCOCC4)c3cc2c1 ZINC000019376175 570982536 /nfs/dbraw/zinc/98/25/36/570982536.db2.gz BMSBGLMVRRWEDW-UHFFFAOYSA-N 1 0 390.443 3.973 50 5 GHBARO C[C@@H]1C[C@@H](OC[C@H](O)C[N+]2(Cc3ccccc3)CCOCC2)CC(C)(C)C1 ZINC000005447211 204132902 /nfs/dbraw/zinc/13/29/02/204132902.db2.gz KBXHLTQMFWDNAE-CEMLEFRQSA-N 1 0 376.561 3.626 50 5 GHBARO COC(=O)c1ccc(C[N+]2(C[C@H](O)COCc3ccccc3)CCCCC2)cc1 ZINC000005447026 204133709 /nfs/dbraw/zinc/13/37/09/204133709.db2.gz PWJPZKSWXPTXML-QHCPKHFHSA-N 1 0 398.523 3.552 50 5 GHBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000008746216 204286892 /nfs/dbraw/zinc/28/68/92/204286892.db2.gz GTMNTSZVRMQZQC-ICSRJNTNSA-N 1 0 397.500 3.830 50 5 GHBARO NC(=O)c1ccc(CN2CCc3sccc3[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000023990168 570341333 /nfs/dbraw/zinc/34/13/33/570341333.db2.gz JLCZQHHHWIQFNA-SFHVURJKSA-N 1 0 399.497 3.964 50 5 GHBARO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000014703394 570623179 /nfs/dbraw/zinc/62/31/79/570623179.db2.gz TVIDGQMAXPTUAU-UHFFFAOYSA-N 1 0 380.370 3.721 50 5 GHBARO CSc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000012975181 899048076 /nfs/dbraw/zinc/04/80/76/899048076.db2.gz SXVNMSOBPXQQTN-UHFFFAOYSA-N 1 0 385.489 3.843 50 5 GHBARO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000252453058 570958458 /nfs/dbraw/zinc/95/84/58/570958458.db2.gz YYRDYZJCKOOSHC-WFASDCNBSA-N 1 0 375.450 3.829 50 5 GHBARO CCc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000012796734 204451345 /nfs/dbraw/zinc/45/13/45/204451345.db2.gz UDQPFOJLJRINRN-GOSISDBHSA-N 1 0 375.856 3.843 50 5 GHBARO O=C(c1ccccc1)c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000048275789 570230102 /nfs/dbraw/zinc/23/01/02/570230102.db2.gz GHJFOIBUBFPEOP-IBGZPJMESA-N 1 0 379.460 3.890 50 5 GHBARO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc2c3ccccc3oc(=O)c12 ZINC000004326531 570571656 /nfs/dbraw/zinc/57/16/56/570571656.db2.gz XZKDGTWGTSBDNN-OKILXGFUSA-N 1 0 379.460 3.566 50 5 GHBARO COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000052507970 570751013 /nfs/dbraw/zinc/75/10/13/570751013.db2.gz AHAURRPMZVUDDQ-OAQYLSRUSA-N 1 0 397.475 3.728 50 5 GHBARO COc1ccc([C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000032806258 570822785 /nfs/dbraw/zinc/82/27/85/570822785.db2.gz VYFUHFJOYMEIQD-GOSISDBHSA-N 1 0 395.463 3.890 50 5 GHBARO CCc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 ZINC000001322665 570958842 /nfs/dbraw/zinc/95/88/42/570958842.db2.gz QZLXMUPEAKOXGI-GOSISDBHSA-N 1 0 382.480 3.933 50 5 biogenic GHBARO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000225645461 861231972 /nfs/dbraw/zinc/23/19/72/861231972.db2.gz RXDPZGPGWTUIJB-FQEVSTJZSA-N 1 0 394.475 3.672 50 5 GHBARO C[NH+]1CCC(Nc2ccccc2NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000058315165 900910008 /nfs/dbraw/zinc/91/00/08/900910008.db2.gz KCKXBZSFWQFVHT-UHFFFAOYSA-N 1 0 397.479 3.542 50 5 GHBARO CCOc1ccc(C(=O)Cn2ccc(=[NH+]Cc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000000972983 570740767 /nfs/dbraw/zinc/74/07/67/570740767.db2.gz DDUHBCXVXXOCFI-UHFFFAOYSA-N 1 0 391.427 3.779 50 5 GHBARO COc1ccc([C@H](CNc2nc3ccccn3c2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000032806259 570822664 /nfs/dbraw/zinc/82/26/64/570822664.db2.gz VYFUHFJOYMEIQD-SFHVURJKSA-N 1 0 395.463 3.890 50 5 GHBARO O=[N+]([O-])c1cc2c(cc1CN1CC[N@@H+]3CCC[C@@H]3[C@H]1C1CCCCC1)OCO2 ZINC000239412383 570829947 /nfs/dbraw/zinc/82/99/47/570829947.db2.gz SQECFFDNMFIDTN-DYESRHJHSA-N 1 0 387.480 3.552 50 5 GHBARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004556329 570882618 /nfs/dbraw/zinc/88/26/18/570882618.db2.gz FYGXEEBELLWOCP-WLMCBFPDSA-N 1 0 384.461 3.804 50 5 GHBARO CCCCCc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@@H]23)c(=O)o1 ZINC000252441024 570956382 /nfs/dbraw/zinc/95/63/82/570956382.db2.gz BEYTWKUTZQIHJF-MONBJTKQSA-N 1 0 376.517 3.938 50 5 biogenic GHBARO CCOc1ccc(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)cc1 ZINC000002974607 206451637 /nfs/dbraw/zinc/45/16/37/206451637.db2.gz AQYJMZLHQAXLLE-QFIPXVFZSA-N 1 0 396.467 3.644 50 5 GHBARO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccccc1F)C1CC1 ZINC000016420089 221362209 /nfs/dbraw/zinc/36/22/09/221362209.db2.gz GGYAXABFSZXSED-OAHLLOKOSA-N 1 0 385.439 3.918 50 5 GHBARO CCc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002921922 206446199 /nfs/dbraw/zinc/44/61/99/206446199.db2.gz AWEMMHFHLYZBPG-JOCHJYFZSA-N 1 0 380.468 3.808 50 5 GHBARO CCN(CC)c1ccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=[NH2+])oc2c1 ZINC000017077720 207082960 /nfs/dbraw/zinc/08/29/60/207082960.db2.gz VFAHJLQHBGPBTG-UHFFFAOYSA-N 1 0 380.404 3.919 50 5 GHBARO CN(Cc1cccc(Cl)c1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712670 207318371 /nfs/dbraw/zinc/31/83/71/207318371.db2.gz WUZBLURWLFCKKE-AWEZNQCLSA-N 1 0 385.247 3.773 50 5 GHBARO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048332112 570238691 /nfs/dbraw/zinc/23/86/91/570238691.db2.gz UABPJYBGAZTLBC-IYBDPMFKSA-N 1 0 396.491 3.706 50 5 GHBARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004556330 570883030 /nfs/dbraw/zinc/88/30/30/570883030.db2.gz FYGXEEBELLWOCP-MWWKQMNYSA-N 1 0 384.461 3.804 50 5 GHBARO COc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000024774716 207294141 /nfs/dbraw/zinc/29/41/41/207294141.db2.gz OIHXQFAUDBLJQJ-FOIQADDNSA-N 1 0 398.463 3.951 50 5 GHBARO C[NH+](C)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000024749372 207294540 /nfs/dbraw/zinc/29/45/40/207294540.db2.gz BVAPNESGTNHGQH-OAQYLSRUSA-N 1 0 399.494 3.574 50 5 GHBARO CCCCCc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@@H]23)c(=O)o1 ZINC000252441023 570956398 /nfs/dbraw/zinc/95/63/98/570956398.db2.gz BEYTWKUTZQIHJF-DHJUGAMNSA-N 1 0 376.517 3.938 50 5 biogenic GHBARO CCOc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001800420 570425783 /nfs/dbraw/zinc/42/57/83/570425783.db2.gz WFSWSHCIZGRWED-QFIPXVFZSA-N 1 0 396.467 3.644 50 5 GHBARO Cc1cc(NC(=O)C[N@@H+](C)C2CCCCC2)nc2c3ccccc3oc(=O)c12 ZINC000006472028 570443397 /nfs/dbraw/zinc/44/33/97/570443397.db2.gz HWBHZVGNQKWJEU-UHFFFAOYSA-N 1 0 379.460 3.853 50 5 GHBARO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+](C)C)cc1OC ZINC000006830979 570634235 /nfs/dbraw/zinc/63/42/35/570634235.db2.gz VCDGUFNXGJHRDW-LJQANCHMSA-N 1 0 396.447 3.875 50 5 GHBARO O=[N+]([O-])c1cc2c(cc1CN1CC[N@@H+]3CCC[C@H]3[C@@H]1C1CCCCC1)OCO2 ZINC000239412385 570830044 /nfs/dbraw/zinc/83/00/44/570830044.db2.gz SQECFFDNMFIDTN-UWJYYQICSA-N 1 0 387.480 3.552 50 5 GHBARO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448671 570844774 /nfs/dbraw/zinc/84/47/74/570844774.db2.gz XZIFISZPBYTTML-UHFFFAOYSA-N 1 0 383.448 3.519 50 5 GHBARO Cc1ccc2[nH]c3c(cc(NCC[NH3+])c4c3c(=O)c3ccccc3c4=O)oc2c1 ZINC000004188940 862850934 /nfs/dbraw/zinc/85/09/34/862850934.db2.gz KTAXHTCRNBLUTF-UHFFFAOYSA-N 1 0 385.423 3.620 50 5 GHBARO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007941328 859408777 /nfs/dbraw/zinc/40/87/77/859408777.db2.gz OPNVCNSLBSAUSL-UHFFFAOYSA-N 1 0 383.448 3.519 50 5 GHBARO COc1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000024774733 207294721 /nfs/dbraw/zinc/29/47/21/207294721.db2.gz OIHXQFAUDBLJQJ-QRWLVFNGSA-N 1 0 398.463 3.951 50 5 GHBARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000032930255 570942376 /nfs/dbraw/zinc/94/23/76/570942376.db2.gz DBIJJPXPURXJCN-KRWDZBQOSA-N 1 0 381.476 3.828 50 5 GHBARO CCc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002921923 861797096 /nfs/dbraw/zinc/79/70/96/861797096.db2.gz AWEMMHFHLYZBPG-QFIPXVFZSA-N 1 0 380.468 3.808 50 5 GHBARO COc1cccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000012977326 899050713 /nfs/dbraw/zinc/05/07/13/899050713.db2.gz CVLZPVKSFXYNMV-IBGZPJMESA-N 1 0 384.436 3.562 50 5 GHBARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000819085 206323554 /nfs/dbraw/zinc/32/35/54/206323554.db2.gz DWDFFXQLAFFPME-UHFFFAOYSA-N 1 0 386.795 3.990 50 5 GHBARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000079046097 844480230 /nfs/dbraw/zinc/48/02/30/844480230.db2.gz USQDQEIRSRCUKV-UZLBHIALSA-N 1 0 382.464 3.969 50 5 GHBARO COc1cccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)c1 ZINC000012977324 899050447 /nfs/dbraw/zinc/05/04/47/899050447.db2.gz CVLZPVKSFXYNMV-LJQANCHMSA-N 1 0 384.436 3.562 50 5 GHBARO COc1cc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000058440409 900912635 /nfs/dbraw/zinc/91/26/35/900912635.db2.gz IAPONCHHDBZGNP-LJQANCHMSA-N 1 0 385.464 3.539 50 5 GHBARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000095447703 208184645 /nfs/dbraw/zinc/18/46/45/208184645.db2.gz JLGBCGBTOPYFKY-UHFFFAOYSA-N 1 0 392.459 3.992 50 5 GHBARO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000170591563 570849456 /nfs/dbraw/zinc/84/94/56/570849456.db2.gz HYTUQIJTANXKBF-MAUKXSAKSA-N 1 0 385.439 3.840 50 5 GHBARO CN(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000012564470 570869827 /nfs/dbraw/zinc/86/98/27/570869827.db2.gz YACGZOLNRLNBKM-UHFFFAOYSA-N 1 0 396.491 3.577 50 5 GHBARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000032930075 570943586 /nfs/dbraw/zinc/94/35/86/570943586.db2.gz NDZNXQMKDJZLHF-KRWDZBQOSA-N 1 0 381.476 3.686 50 5 GHBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003181143 901061205 /nfs/dbraw/zinc/06/12/05/901061205.db2.gz HIKQRUATTDDDTQ-WSXJYFSRSA-N 1 0 377.444 3.751 50 5 GHBARO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000072308762 222222963 /nfs/dbraw/zinc/22/29/63/222222963.db2.gz RYPYNJAUDVFVOP-NRFANRHFSA-N 1 0 397.475 3.604 50 5 GHBARO C[NH+](C)[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000072295882 570503182 /nfs/dbraw/zinc/50/31/82/570503182.db2.gz VHLOMDKNWKUCMP-CABCVRRESA-N 1 0 377.828 3.721 50 5 GHBARO CC[NH+]1CCN(c2ccc(Nc3ccc(C(C)=O)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000057681177 535748567 /nfs/dbraw/zinc/74/85/67/535748567.db2.gz PNCUWGSKTZLZOR-UHFFFAOYSA-N 1 0 382.464 3.991 50 5 GHBARO Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000170609571 570866081 /nfs/dbraw/zinc/86/60/81/570866081.db2.gz UERKZMSZVPCCPY-OAHLLOKOSA-N 1 0 388.855 3.953 50 5 GHBARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000032930074 570943643 /nfs/dbraw/zinc/94/36/43/570943643.db2.gz NDZNXQMKDJZLHF-QGZVFWFLSA-N 1 0 381.476 3.686 50 5 GHBARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000032930739 570944121 /nfs/dbraw/zinc/94/41/21/570944121.db2.gz GJJMLHVIONNBDD-KRWDZBQOSA-N 1 0 397.475 3.664 50 5 GHBARO CCc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 ZINC000001322664 570958748 /nfs/dbraw/zinc/95/87/48/570958748.db2.gz QZLXMUPEAKOXGI-SFHVURJKSA-N 1 0 382.480 3.933 50 5 biogenic GHBARO O=[N+]([O-])c1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1 ZINC000002974620 206451515 /nfs/dbraw/zinc/45/15/15/206451515.db2.gz PIZJBECEMDCNJK-FQEVSTJZSA-N 1 0 386.859 3.899 50 5 GHBARO CCOc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001800418 208499689 /nfs/dbraw/zinc/49/96/89/208499689.db2.gz WFSWSHCIZGRWED-JOCHJYFZSA-N 1 0 396.467 3.644 50 5 GHBARO Cc1cc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)nc2c3ccccc3oc(=O)c12 ZINC000004326535 570572242 /nfs/dbraw/zinc/57/22/42/570572242.db2.gz XZKDGTWGTSBDNN-KBPBESRZSA-N 1 0 379.460 3.566 50 5 GHBARO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000252453057 570958437 /nfs/dbraw/zinc/95/84/37/570958437.db2.gz YYRDYZJCKOOSHC-DOMZBBRYSA-N 1 0 375.450 3.829 50 5 GHBARO O=C(C1CC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069949889 857163344 /nfs/dbraw/zinc/16/33/44/857163344.db2.gz VTYZTUFENUBBMF-OAQYLSRUSA-N 1 0 385.508 3.988 50 5 GHBARO CCCCO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000253429567 916000204 /nfs/dbraw/zinc/00/02/04/916000204.db2.gz NSMVEQDLXVAQSR-MSOLQXFVSA-N 1 0 393.484 3.505 50 5 GHBARO O=[N+]([O-])c1cccc([C@]2(O)CN(c3cccc(Cl)c3)C3=[N+]2CCCCC3)c1 ZINC000017180044 207086191 /nfs/dbraw/zinc/08/61/91/207086191.db2.gz SOKASIUISDQXSB-HXUWFJFHSA-N 1 0 386.859 3.899 50 5 GHBARO CC(C)[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000028416847 207342035 /nfs/dbraw/zinc/34/20/35/207342035.db2.gz AZIAETNWFBRIDK-LPHOPBHVSA-N 1 0 393.553 3.948 50 5 GHBARO O=C(CC[N@@H+]1CCSC[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000096012953 208253237 /nfs/dbraw/zinc/25/32/37/208253237.db2.gz VVFHFPQUHORULT-GOSISDBHSA-N 1 0 389.452 3.853 50 5 GHBARO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000023197197 221588049 /nfs/dbraw/zinc/58/80/49/221588049.db2.gz ZQTQNJQCWAXMHQ-KRWDZBQOSA-N 1 0 389.883 3.931 50 5 GHBARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000023197194 221588212 /nfs/dbraw/zinc/58/82/12/221588212.db2.gz ZQTQNJQCWAXMHQ-QGZVFWFLSA-N 1 0 389.883 3.931 50 5 GHBARO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000047996056 570216712 /nfs/dbraw/zinc/21/67/12/570216712.db2.gz ODKKPJCARWDCLF-CQSZACIVSA-N 1 0 377.404 3.923 50 5 GHBARO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000011707667 570409682 /nfs/dbraw/zinc/40/96/82/570409682.db2.gz IZXDSHLYFFKNAJ-ZIAGYGMSSA-N 1 0 387.436 3.680 50 5 GHBARO C[C@@H]1C[C@@H](OC[C@@H](O)C[N+]2(Cc3ccccc3)CCOCC2)CC(C)(C)C1 ZINC000013306567 570753134 /nfs/dbraw/zinc/75/31/34/570753134.db2.gz KBXHLTQMFWDNAE-BAGYTPMASA-N 1 0 376.561 3.626 50 5 GHBARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000032930259 570942100 /nfs/dbraw/zinc/94/21/00/570942100.db2.gz NNFAXAGSORMCLW-KRWDZBQOSA-N 1 0 397.475 3.664 50 5 GHBARO CC1(C)CC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC(C)(C)[NH2+]1 ZINC000012728414 570972827 /nfs/dbraw/zinc/97/28/27/570972827.db2.gz FCDGJHYMVISRCE-UHFFFAOYSA-N 1 0 391.515 3.580 50 5 GHBARO O=[N+]([O-])c1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1 ZINC000002974622 862074844 /nfs/dbraw/zinc/07/48/44/862074844.db2.gz PIZJBECEMDCNJK-HXUWFJFHSA-N 1 0 386.859 3.899 50 5 GHBARO O=[N+]([O-])c1cc2c(cc1CN1CC[N@@H+]3CCC[C@@H]3[C@@H]1C1CCCCC1)OCO2 ZINC000005032639 206585742 /nfs/dbraw/zinc/58/57/42/206585742.db2.gz SQECFFDNMFIDTN-UTKZUKDTSA-N 1 0 387.480 3.552 50 5 GHBARO CN(C)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000022621215 207257644 /nfs/dbraw/zinc/25/76/44/207257644.db2.gz VQSIUQMDOTUGRH-UHFFFAOYSA-N 1 0 388.512 3.579 50 5 GHBARO C[NH+](C)CCn1cc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 ZINC000089319381 208104447 /nfs/dbraw/zinc/10/44/47/208104447.db2.gz RDDPUBJMZILHJO-UHFFFAOYSA-N 1 0 389.843 3.878 50 5 GHBARO COc1c(OC(F)F)ccc(C[NH2+]CCCNc2ccccc2)c1[N+](=O)[O-] ZINC000089420687 208105568 /nfs/dbraw/zinc/10/55/68/208105568.db2.gz HEYBGQYEJYITAK-UHFFFAOYSA-N 1 0 381.379 3.797 50 5 GHBARO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000225645436 861232489 /nfs/dbraw/zinc/23/24/89/861232489.db2.gz RXDPZGPGWTUIJB-HXUWFJFHSA-N 1 0 394.475 3.672 50 5 GHBARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000040152982 856685208 /nfs/dbraw/zinc/68/52/08/856685208.db2.gz IWZLKNXJANLWLA-IBGZPJMESA-N 1 0 383.452 3.508 50 5 GHBARO CN(C)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000009931961 857378230 /nfs/dbraw/zinc/37/82/30/857378230.db2.gz GYROJLICOVRYLS-UHFFFAOYSA-N 1 0 396.491 3.577 50 5 GHBARO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000158522556 231026935 /nfs/dbraw/zinc/02/69/35/231026935.db2.gz VHOWRPALKIBOTN-ZDUSSCGKSA-N 1 0 391.880 3.963 50 5 GHBARO CCc1ccc(OCCNc2cc(N3C[C@H](C)[NH2+][C@@H](C)C3)ccc2[N+](=O)[O-])cc1 ZINC000004181060 206506489 /nfs/dbraw/zinc/50/64/89/206506489.db2.gz OZGLGMXBKISLNB-IRXDYDNUSA-N 1 0 398.507 3.835 50 5 GHBARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000036393636 206795561 /nfs/dbraw/zinc/79/55/61/206795561.db2.gz VKIUHIUNSLGJGE-KRWDZBQOSA-N 1 0 397.475 3.522 50 5 GHBARO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCCCC2)cc1 ZINC000027582959 207327139 /nfs/dbraw/zinc/32/71/39/207327139.db2.gz GWRWPZYGKYWJEC-OAQYLSRUSA-N 1 0 397.475 3.951 50 5 GHBARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004556331 570882940 /nfs/dbraw/zinc/88/29/40/570882940.db2.gz JUQMNLRCYBZEJW-SBSDFTTDSA-N 1 0 384.461 3.804 50 5 GHBARO CC[NH+](CC)CCNc1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000008767029 856354002 /nfs/dbraw/zinc/35/40/02/856354002.db2.gz SVNLFUPLTNOJCY-UHFFFAOYSA-N 1 0 380.448 3.653 50 5 GHBARO COc1cc(CNC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000058440407 900912739 /nfs/dbraw/zinc/91/27/39/900912739.db2.gz IAPONCHHDBZGNP-IBGZPJMESA-N 1 0 385.464 3.539 50 5 GHBARO CCOC(=O)C1CC[NH+](Cn2c3ccccc3c3nc4ccccc4nc32)CC1 ZINC000226758447 211481389 /nfs/dbraw/zinc/48/13/89/211481389.db2.gz CTUIJGSILNHTSH-UHFFFAOYSA-N 1 0 388.471 3.970 50 5 GHBARO COc1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000024774708 570291995 /nfs/dbraw/zinc/29/19/95/570291995.db2.gz OIHXQFAUDBLJQJ-MGPUTAFESA-N 1 0 398.463 3.951 50 5 GHBARO CC(C)[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160413 570555183 /nfs/dbraw/zinc/55/51/83/570555183.db2.gz OAHRIUNOZXDIEH-MOPGFXCFSA-N 1 0 396.447 3.535 50 5 GHBARO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000023043055 570892643 /nfs/dbraw/zinc/89/26/43/570892643.db2.gz AKDQOIWUTUWYTR-UHFFFAOYSA-N 1 0 387.867 3.572 50 5 GHBARO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045832010 570997678 /nfs/dbraw/zinc/99/76/78/570997678.db2.gz QVRWJOQMUXAKKU-UHFFFAOYSA-N 1 0 379.888 3.976 50 5 GHBARO CN1CCC([N@H+](C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)c2ccccc2)CC1 ZINC000058147822 900905796 /nfs/dbraw/zinc/90/57/96/900905796.db2.gz RHHGXRMBCPCNMK-OAQYLSRUSA-N 1 0 386.471 3.913 50 5 GHBARO C[NH+](C)CCOc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000047673028 570214119 /nfs/dbraw/zinc/21/41/19/570214119.db2.gz CTDBWURJOQUJGH-UHFFFAOYSA-N 1 0 399.472 3.680 50 5 GHBARO CC(C)[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160418 570555200 /nfs/dbraw/zinc/55/52/00/570555200.db2.gz OAHRIUNOZXDIEH-RTBURBONSA-N 1 0 396.447 3.535 50 5 GHBARO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000170591566 570849462 /nfs/dbraw/zinc/84/94/62/570849462.db2.gz HYTUQIJTANXKBF-QAPCUYQASA-N 1 0 385.439 3.840 50 5 GHBARO Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000170609572 570866026 /nfs/dbraw/zinc/86/60/26/570866026.db2.gz UERKZMSZVPCCPY-HNNXBMFYSA-N 1 0 388.855 3.953 50 5 GHBARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)c(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000057997436 210903728 /nfs/dbraw/zinc/90/37/28/210903728.db2.gz HPSDRKQRZYYTMT-KRWDZBQOSA-N 1 0 379.457 3.917 50 5 GHBARO NC(=O)c1ccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000057381116 862068345 /nfs/dbraw/zinc/06/83/45/862068345.db2.gz ZJXOORDJLQGLGU-UHFFFAOYSA-N 1 0 378.432 3.555 50 5 GHBARO Cc1ccccc1OCCNc1cc(N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000004455723 209488177 /nfs/dbraw/zinc/48/81/77/209488177.db2.gz YWLNLOBROCLLKK-IAGOWNOFSA-N 1 0 384.480 3.581 50 5 GHBARO C[N@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000026154911 570312480 /nfs/dbraw/zinc/31/24/80/570312480.db2.gz CDTMNFDKJVSYNP-UHFFFAOYSA-N 1 0 381.354 3.519 50 5 GHBARO COc1ccc2[nH]cc([C@H]3c4c(cc5c(c4OC)OCO5)CC[N+]3(C)C)c2c1 ZINC000001280368 570953915 /nfs/dbraw/zinc/95/39/15/570953915.db2.gz SIFMCLPOJIACIH-FQEVSTJZSA-N 1 0 381.452 3.636 50 5 biogenic GHBARO C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)CCC2 ZINC000252441376 570956407 /nfs/dbraw/zinc/95/64/07/570956407.db2.gz SPIFXQQJEWETEO-CLLDFNAGSA-N 1 0 394.535 3.875 50 5 biogenic GHBARO CN(C(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000010225489 857421377 /nfs/dbraw/zinc/42/13/77/857421377.db2.gz QFQBIYITNJUAPM-UHFFFAOYSA-N 1 0 392.459 3.919 50 5 GHBARO COc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000012756396 210003479 /nfs/dbraw/zinc/00/34/79/210003479.db2.gz KHGOCPVHSIZYFF-LJQANCHMSA-N 1 0 384.436 3.562 50 5 GHBARO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048332113 527314776 /nfs/dbraw/zinc/31/47/76/527314776.db2.gz UABPJYBGAZTLBC-HOTGVXAUSA-N 1 0 396.491 3.706 50 5 GHBARO C[NH+](C)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000024749377 570391317 /nfs/dbraw/zinc/39/13/17/570391317.db2.gz BVAPNESGTNHGQH-NRFANRHFSA-N 1 0 399.494 3.574 50 5 GHBARO CC(C)[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160427 570555227 /nfs/dbraw/zinc/55/52/27/570555227.db2.gz OAHRIUNOZXDIEH-RBUKOAKNSA-N 1 0 396.447 3.535 50 5 GHBARO COc1ccc(C)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000012546176 570847569 /nfs/dbraw/zinc/84/75/69/570847569.db2.gz ZCJCBPVFJUOKPF-UHFFFAOYSA-N 1 0 392.459 3.782 50 5 GHBARO COCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000034678771 844080905 /nfs/dbraw/zinc/08/09/05/844080905.db2.gz NXSRAKHBWVYGGL-UHFFFAOYSA-N 1 0 397.475 3.547 50 5 GHBARO O=C(CSc1ccsc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040116232 856668960 /nfs/dbraw/zinc/66/89/60/856668960.db2.gz QAEDYXCQJMLQDB-UHFFFAOYSA-N 1 0 391.518 3.529 50 5 GHBARO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000040154246 856684779 /nfs/dbraw/zinc/68/47/79/856684779.db2.gz SZDJVPBTWFIMOL-INIZCTEOSA-N 1 0 375.450 3.831 50 5 GHBARO O=C(NCCC[NH+]1CCCCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000012742987 211686737 /nfs/dbraw/zinc/68/67/37/211686737.db2.gz WKAWXIUDTSAXFJ-UHFFFAOYSA-N 1 0 382.464 3.944 50 5 GHBARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000020893231 210367337 /nfs/dbraw/zinc/36/73/37/210367337.db2.gz JATQBNGJAXDKSP-UHFFFAOYSA-N 1 0 393.447 3.813 50 5 GHBARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC000005122340 570421748 /nfs/dbraw/zinc/42/17/48/570421748.db2.gz IVVHXQBGLIEBGG-UHFFFAOYSA-N 1 0 388.449 3.704 50 5 GHBARO CC(C)[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160423 570555476 /nfs/dbraw/zinc/55/54/76/570555476.db2.gz OAHRIUNOZXDIEH-OALUTQOASA-N 1 0 396.447 3.535 50 5 GHBARO C[C@@H]1C[C@H](OC[C@H](O)C[N+]2(Cc3ccccc3)CCOCC2)CC(C)(C)C1 ZINC000005447209 570596616 /nfs/dbraw/zinc/59/66/16/570596616.db2.gz KBXHLTQMFWDNAE-FCEUIQTBSA-N 1 0 376.561 3.626 50 5 GHBARO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)cc1C)[N+](C)(C)CC3)OCO2 ZINC000001280014 211503766 /nfs/dbraw/zinc/50/37/66/211503766.db2.gz SCKGIUIRENIDOM-GOSISDBHSA-N 1 0 382.480 3.987 50 5 biogenic GHBARO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1 ZINC000031941103 210568990 /nfs/dbraw/zinc/56/89/90/210568990.db2.gz XYCIZVIGRVLJJK-UHFFFAOYSA-N 1 0 386.452 3.609 50 5 GHBARO CCc1ccc(OCCNc2cc(N3C[C@@H](C)[NH2+][C@H](C)C3)ccc2[N+](=O)[O-])cc1 ZINC000004181056 570982804 /nfs/dbraw/zinc/98/28/04/570982804.db2.gz OZGLGMXBKISLNB-IAGOWNOFSA-N 1 0 398.507 3.835 50 5 GHBARO O=[N+]([O-])c1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(Cl)cc2)cc1 ZINC000003104156 862191769 /nfs/dbraw/zinc/19/17/69/862191769.db2.gz XQYJFLZKJCMCGV-FQEVSTJZSA-N 1 0 386.859 3.899 50 5 GHBARO CC[N@H+](CCC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)CC1CC1 ZINC000095458053 211242306 /nfs/dbraw/zinc/24/23/06/211242306.db2.gz ZDTSPOPOAZCIFF-UHFFFAOYSA-N 1 0 377.514 3.642 50 5 GHBARO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc1[N+](=O)[O-] ZINC000058171309 862388028 /nfs/dbraw/zinc/38/80/28/862388028.db2.gz FGNSQRFTUXVWRT-UHFFFAOYSA-N 1 0 397.475 3.765 50 5 GHBARO C[C@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(Cl)cc3)c2)CC[NH2+]1 ZINC000004044525 862736991 /nfs/dbraw/zinc/73/69/91/862736991.db2.gz SIGMJKNMNFXWED-AWEZNQCLSA-N 1 0 390.871 3.537 50 5 GHBARO C[NH+](C)CCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000004585322 211547389 /nfs/dbraw/zinc/54/73/89/211547389.db2.gz PDGKDKFDCGNLNY-UHFFFAOYSA-N 1 0 384.461 3.803 50 5 GHBARO C[NH+](C)[C@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005637731 570678149 /nfs/dbraw/zinc/67/81/49/570678149.db2.gz SGWRZQPYWHWIIL-OAQYLSRUSA-N 1 0 396.491 3.618 50 5 GHBARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000020893234 210367212 /nfs/dbraw/zinc/36/72/12/210367212.db2.gz FWJMVJKAPIIPJJ-UHFFFAOYSA-N 1 0 393.447 3.813 50 5 GHBARO CCCCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000253429578 855104207 /nfs/dbraw/zinc/10/42/07/855104207.db2.gz NSMVEQDLXVAQSR-ZWKOTPCHSA-N 1 0 393.484 3.505 50 5 GHBARO CN1CCC([N@H+](C)C[C@H](Nc2ccc([N+](=O)[O-])cc2F)c2ccccc2)CC1 ZINC000058147815 900905313 /nfs/dbraw/zinc/90/53/13/900905313.db2.gz RHHGXRMBCPCNMK-NRFANRHFSA-N 1 0 386.471 3.913 50 5 GHBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000096835532 915080837 /nfs/dbraw/zinc/08/08/37/915080837.db2.gz HIKQRUATTDDDTQ-KTMUDYLSSA-N 1 0 377.444 3.751 50 5 GHBARO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000089834936 211185421 /nfs/dbraw/zinc/18/54/21/211185421.db2.gz CHOGZYWRMVUPKP-IBGZPJMESA-N 1 0 394.475 3.564 50 5 GHBARO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000048252745 570226888 /nfs/dbraw/zinc/22/68/88/570226888.db2.gz ULBUZDUNSYWQAI-INIZCTEOSA-N 1 0 375.450 3.831 50 5 GHBARO Cc1ccc([N+](=O)[O-])c(OCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000004832486 570305799 /nfs/dbraw/zinc/30/57/99/570305799.db2.gz CEEAVIGKIFLXIA-UHFFFAOYSA-N 1 0 383.492 3.880 50 5 GHBARO Cc1cc(OCCCC[NH+]2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000004832745 570305952 /nfs/dbraw/zinc/30/59/52/570305952.db2.gz OZPAMOVJGIQDSE-UHFFFAOYSA-N 1 0 383.492 3.880 50 5 GHBARO C[NH+](C)C[C@@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000022696416 570524142 /nfs/dbraw/zinc/52/41/42/570524142.db2.gz LFUXAKUSZNXVAM-LJQANCHMSA-N 1 0 396.491 3.618 50 5 GHBARO CN(c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000000949109 209282409 /nfs/dbraw/zinc/28/24/09/209282409.db2.gz ICYJYQNSQUIVSL-UHFFFAOYSA-N 1 0 377.448 3.735 50 5 GHBARO O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000100016084 211381060 /nfs/dbraw/zinc/38/10/60/211381060.db2.gz OYYDSUSKLWTMMQ-JKHIJQBDSA-N 1 0 392.519 3.770 50 5 fda GHBARO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000089834935 211185768 /nfs/dbraw/zinc/18/57/68/211185768.db2.gz CHOGZYWRMVUPKP-LJQANCHMSA-N 1 0 394.475 3.564 50 5 GHBARO C[NH+](C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000072295880 570502981 /nfs/dbraw/zinc/50/29/81/570502981.db2.gz VHLOMDKNWKUCMP-GJZGRUSLSA-N 1 0 377.828 3.721 50 5 GHBARO Cc1ccc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1[N+](=O)[O-] ZINC000004594586 570627578 /nfs/dbraw/zinc/62/75/78/570627578.db2.gz MLHOTBNSDYBFSA-UHFFFAOYSA-N 1 0 383.492 3.630 50 5 GHBARO COc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+]2CCCCCC2)cc1 ZINC000027793774 900347743 /nfs/dbraw/zinc/34/77/43/900347743.db2.gz WQYOWKTVDIMTDY-OAQYLSRUSA-N 1 0 397.475 3.951 50 5 GHBARO Cc1nc2cc3ccccc3cc2c(=O)n1-c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000000974671 209285267 /nfs/dbraw/zinc/28/52/67/209285267.db2.gz UFDJMFYGTDNWMY-UHFFFAOYSA-N 1 0 384.483 3.599 50 5 GHBARO O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCCC1 ZINC000014184320 211704691 /nfs/dbraw/zinc/70/46/91/211704691.db2.gz HQTUXAANTUEGLZ-UHFFFAOYSA-N 1 0 385.489 3.599 50 5 GHBARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000036393635 570678229 /nfs/dbraw/zinc/67/82/29/570678229.db2.gz VKIUHIUNSLGJGE-QGZVFWFLSA-N 1 0 397.475 3.522 50 5 GHBARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000036396570 570680958 /nfs/dbraw/zinc/68/09/58/570680958.db2.gz LWXVJDVTSAMLLA-KRWDZBQOSA-N 1 0 381.476 3.828 50 5 GHBARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000036396569 570681043 /nfs/dbraw/zinc/68/10/43/570681043.db2.gz LWXVJDVTSAMLLA-QGZVFWFLSA-N 1 0 381.476 3.828 50 5 GHBARO CN(C)c1ccc2c(c1)N(O)CC(c1ccc(-c3cccc([N+](=O)[O-])c3)o1)[N+]2=O ZINC000036636057 570775319 /nfs/dbraw/zinc/77/53/19/570775319.db2.gz SGAQDUIVCHFUBK-UHFFFAOYSA-N 1 0 394.387 3.761 50 5 GHBARO CCOc1cc(-c2nc3cc4c(cc3[nH]2)n(O)c2ccccc2[n+]4=O)ccc1O ZINC000071785221 868580069 /nfs/dbraw/zinc/58/00/69/868580069.db2.gz CGAYSXLZGXDEGY-UHFFFAOYSA-O 1 0 389.391 3.594 50 5 GHBARO CC(C)[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000028416842 900376914 /nfs/dbraw/zinc/37/69/14/900376914.db2.gz AZIAETNWFBRIDK-VQIMIIECSA-N 1 0 393.553 3.948 50 5 GHBARO O=[N+]([O-])c1cccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(Cl)cc2)c1 ZINC000001744557 209337584 /nfs/dbraw/zinc/33/75/84/209337584.db2.gz MLFVVCOTBZBZAL-HXUWFJFHSA-N 1 0 386.859 3.899 50 5 GHBARO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000095081273 136177689 /nfs/dbraw/zinc/17/76/89/136177689.db2.gz MRPAPTWWUOMFBL-UHFFFAOYSA-N 1 0 376.254 3.680 50 5 GHBARO O=[N+]([O-])c1ccc2cnn(CN3CCC(c4nc5ccccc5o4)CC3)c2c1 ZINC000023990791 570341235 /nfs/dbraw/zinc/34/12/35/570341235.db2.gz VEUDGWAPBHTZBN-UHFFFAOYSA-N 1 0 377.404 3.923 50 5 GHBARO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000096947465 842098543 /nfs/dbraw/zinc/09/85/43/842098543.db2.gz DYWHILZUBYUGPL-DZFTYQQFSA-N 1 0 397.475 3.816 50 5 GHBARO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000008917441 856649572 /nfs/dbraw/zinc/64/95/72/856649572.db2.gz GKFVCIZJXGWFAA-FQEVSTJZSA-N 1 0 383.448 3.560 50 5 GHBARO C[NH+](C)C[C@@H](O)COc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000057985296 900900362 /nfs/dbraw/zinc/90/03/62/900900362.db2.gz FIKXITXQZJVLCG-CQSZACIVSA-N 1 0 399.369 3.659 50 5 GHBARO Cc1ccc(-c2c[nH+]c(NCc3cc4c(cc3[N+](=O)[O-])OCO4)n2C)cc1C ZINC000000819166 209269262 /nfs/dbraw/zinc/26/92/62/209269262.db2.gz LMYSVGPLAPMHJN-UHFFFAOYSA-N 1 0 380.404 3.953 50 5 GHBARO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048332114 527314889 /nfs/dbraw/zinc/31/48/89/527314889.db2.gz UABPJYBGAZTLBC-HZPDHXFCSA-N 1 0 396.491 3.706 50 5 GHBARO COc1ccc2[nH]cc([C@@H]3c4c(cc5c(c4OC)OCO5)CC[N+]3(C)C)c2c1 ZINC000001280367 570954078 /nfs/dbraw/zinc/95/40/78/570954078.db2.gz SIFMCLPOJIACIH-HXUWFJFHSA-N 1 0 381.452 3.636 50 5 biogenic GHBARO COc1ccc(-c2cc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)on2)cc1 ZINC000057471002 862112085 /nfs/dbraw/zinc/11/20/85/862112085.db2.gz DNHDHRNCFZVQHS-UHFFFAOYSA-N 1 0 394.431 3.581 50 5 GHBARO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000008430607 856203461 /nfs/dbraw/zinc/20/34/61/856203461.db2.gz GGQGHLQKOVBMCD-UHFFFAOYSA-N 1 0 383.448 3.519 50 5 GHBARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000040152981 856685047 /nfs/dbraw/zinc/68/50/47/856685047.db2.gz IWZLKNXJANLWLA-LJQANCHMSA-N 1 0 383.452 3.508 50 5 GHBARO CC(C)(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+]1CCCCC1 ZINC000026241636 570322704 /nfs/dbraw/zinc/32/27/04/570322704.db2.gz MMMZVQJPKHEECO-UHFFFAOYSA-N 1 0 391.515 3.535 50 5 GHBARO O=c1oc2ccccc2c(NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000005027141 570400016 /nfs/dbraw/zinc/40/00/16/570400016.db2.gz BSKWFHNTZTVKQA-UHFFFAOYSA-N 1 0 379.416 3.778 50 5 GHBARO C[NH+](C)[C@@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005637728 570678330 /nfs/dbraw/zinc/67/83/30/570678330.db2.gz SGWRZQPYWHWIIL-NRFANRHFSA-N 1 0 396.491 3.618 50 5 GHBARO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007257670 570821503 /nfs/dbraw/zinc/82/15/03/570821503.db2.gz FCBLBPXTMOFALQ-UHFFFAOYSA-N 1 0 396.491 3.577 50 5 GHBARO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000170591565 570849438 /nfs/dbraw/zinc/84/94/38/570849438.db2.gz HYTUQIJTANXKBF-YJBOKZPZSA-N 1 0 385.439 3.840 50 5 GHBARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000072295881 570503218 /nfs/dbraw/zinc/50/32/18/570503218.db2.gz VHLOMDKNWKUCMP-HUUCEWRRSA-N 1 0 377.828 3.721 50 5 GHBARO O=[N+]([O-])c1cc2c(cc1CN1CC[N@@H+]3CCC[C@H]3[C@H]1C1CCCCC1)OCO2 ZINC000239412384 570829890 /nfs/dbraw/zinc/82/98/90/570829890.db2.gz SQECFFDNMFIDTN-LAUBAEHRSA-N 1 0 387.480 3.552 50 5 GHBARO CC(C)[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000028416836 900376665 /nfs/dbraw/zinc/37/66/65/900376665.db2.gz AZIAETNWFBRIDK-APWZRJJASA-N 1 0 393.553 3.948 50 5 GHBARO Cc1cc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)nc2c3ccccc3oc(=O)c12 ZINC000004326537 570572237 /nfs/dbraw/zinc/57/22/37/570572237.db2.gz XZKDGTWGTSBDNN-ZIAGYGMSSA-N 1 0 379.460 3.566 50 5 GHBARO COc1cc(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)cc(OC)c1OC ZINC000004678474 570824468 /nfs/dbraw/zinc/82/44/68/570824468.db2.gz XQYFMIRHHHPXEC-UHFFFAOYSA-N 1 0 398.419 3.633 50 5 GHBARO CC(C)N1CCN(C(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000241588095 571038136 /nfs/dbraw/zinc/03/81/36/571038136.db2.gz OZQMDUIWDHTFOD-UHFFFAOYSA-N 1 0 385.489 3.912 50 5 GHBARO Cc1ccc(S(=O)(=O)Nc2cccc3c2CN(CC(C)C)C3)cc1[N+](=O)[O-] ZINC000095455180 860588632 /nfs/dbraw/zinc/58/86/32/860588632.db2.gz MCENJDMYCZEALG-UHFFFAOYSA-N 1 0 389.477 3.676 50 5 GHBARO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067757731 222157224 /nfs/dbraw/zinc/15/72/24/222157224.db2.gz ADZSFHISSLOCQF-UHFFFAOYSA-N 1 0 389.499 3.677 50 5 GHBARO O=C(CC[N@@H+]1CCSC[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000096012952 222370453 /nfs/dbraw/zinc/37/04/53/222370453.db2.gz VVFHFPQUHORULT-SFHVURJKSA-N 1 0 389.452 3.853 50 5 GHBARO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048310355 570233012 /nfs/dbraw/zinc/23/30/12/570233012.db2.gz OCANHHDRTPSQPM-IYBDPMFKSA-N 1 0 396.491 3.706 50 5 GHBARO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000089761682 570911633 /nfs/dbraw/zinc/91/16/33/570911633.db2.gz AHXGAVVJASPHFE-UHFFFAOYSA-N 1 0 387.505 3.714 50 5 GHBARO CC(C)[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000028416852 900376617 /nfs/dbraw/zinc/37/66/17/900376617.db2.gz AZIAETNWFBRIDK-QFBILLFUSA-N 1 0 393.553 3.948 50 5 GHBARO O=[N+]([O-])c1cccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(Cl)cc2)c1 ZINC000001744554 212253426 /nfs/dbraw/zinc/25/34/26/212253426.db2.gz MLFVVCOTBZBZAL-FQEVSTJZSA-N 1 0 386.859 3.899 50 5 GHBARO C[NH+](C)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000005239823 220848371 /nfs/dbraw/zinc/84/83/71/220848371.db2.gz PNZAXXUUGGBBPN-UHFFFAOYSA-N 1 0 384.461 3.803 50 5 GHBARO CCOc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000013774760 221288316 /nfs/dbraw/zinc/28/83/16/221288316.db2.gz AGMYGHPGKGWLBH-JOCHJYFZSA-N 1 0 396.467 3.644 50 5 GHBARO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048310359 570233050 /nfs/dbraw/zinc/23/30/50/570233050.db2.gz OCANHHDRTPSQPM-HZPDHXFCSA-N 1 0 396.491 3.706 50 5 GHBARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032674839 570728704 /nfs/dbraw/zinc/72/87/04/570728704.db2.gz GNZPTJVYMZGAJB-MRXNPFEDSA-N 1 0 381.457 3.814 50 5 GHBARO O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000004712142 570855850 /nfs/dbraw/zinc/85/58/50/570855850.db2.gz APCKMURWLMDXAR-UHFFFAOYSA-N 1 0 398.482 3.521 50 5 GHBARO C[NH+](C)CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000004585280 570916315 /nfs/dbraw/zinc/91/63/15/570916315.db2.gz MNKDHDGSYQESJI-XFXZXTDPSA-N 1 0 396.472 3.813 50 5 GHBARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000032902749 889104015 /nfs/dbraw/zinc/10/40/15/889104015.db2.gz DYWHILZUBYUGPL-QZMUEMGWSA-N 1 0 397.475 3.816 50 5 GHBARO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000158522694 231026712 /nfs/dbraw/zinc/02/67/12/231026712.db2.gz VHOWRPALKIBOTN-CYBMUJFWSA-N 1 0 391.880 3.963 50 5 GHBARO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000011707658 221123662 /nfs/dbraw/zinc/12/36/62/221123662.db2.gz IZXDSHLYFFKNAJ-KBPBESRZSA-N 1 0 387.436 3.680 50 5 GHBARO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccccc1F)C1CC1 ZINC000016420090 221361796 /nfs/dbraw/zinc/36/17/96/221361796.db2.gz GGYAXABFSZXSED-HNNXBMFYSA-N 1 0 385.439 3.918 50 5 GHBARO COC(=O)c1ccc(C[N+]2(C[C@@H](O)COCc3ccccc3)CCCCC2)cc1 ZINC000005447027 570596480 /nfs/dbraw/zinc/59/64/80/570596480.db2.gz PWJPZKSWXPTXML-HSZRJFAPSA-N 1 0 398.523 3.552 50 5 GHBARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032674840 570728673 /nfs/dbraw/zinc/72/86/73/570728673.db2.gz GNZPTJVYMZGAJB-INIZCTEOSA-N 1 0 381.457 3.814 50 5 GHBARO CCOc1ccc(-c2c[nH+]c(NCc3cc4c(cc3[N+](=O)[O-])OCO4)n2C)cc1 ZINC000004679007 570825501 /nfs/dbraw/zinc/82/55/01/570825501.db2.gz PTDORMCBUQYETH-UHFFFAOYSA-N 1 0 396.403 3.735 50 5 GHBARO O=C(C1CC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069949887 222175358 /nfs/dbraw/zinc/17/53/58/222175358.db2.gz VTYZTUFENUBBMF-NRFANRHFSA-N 1 0 385.508 3.988 50 5 GHBARO NC(=O)c1ccc(CN2CCc3sccc3[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000023990167 570341228 /nfs/dbraw/zinc/34/12/28/570341228.db2.gz JLCZQHHHWIQFNA-GOSISDBHSA-N 1 0 399.497 3.964 50 5 GHBARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000252675679 570481093 /nfs/dbraw/zinc/48/10/93/570481093.db2.gz USQDQEIRSRCUKV-OXJNMPFZSA-N 1 0 382.464 3.969 50 5 GHBARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004556332 570882878 /nfs/dbraw/zinc/88/28/78/570882878.db2.gz JUQMNLRCYBZEJW-KQQSKNTNSA-N 1 0 384.461 3.804 50 5 GHBARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000032930254 570942176 /nfs/dbraw/zinc/94/21/76/570942176.db2.gz DBIJJPXPURXJCN-QGZVFWFLSA-N 1 0 381.476 3.828 50 5 GHBARO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(C)cc1C)[N+](C)(C)CC3)OCO2 ZINC000001280013 570952941 /nfs/dbraw/zinc/95/29/41/570952941.db2.gz SCKGIUIRENIDOM-SFHVURJKSA-N 1 0 382.480 3.987 50 5 biogenic GHBARO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000040154245 856684857 /nfs/dbraw/zinc/68/48/57/856684857.db2.gz SZDJVPBTWFIMOL-MRXNPFEDSA-N 1 0 375.450 3.831 50 5 GHBARO COC(=O)c1cc(N[C@@H](C[NH+]2CCCC2)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000095468676 913484472 /nfs/dbraw/zinc/48/44/72/913484472.db2.gz GXRICNZVJLOURY-IBGZPJMESA-N 1 0 399.447 3.639 50 5 GHBARO C[NH+](C)C[C@H](O)COc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000057985290 900900671 /nfs/dbraw/zinc/90/06/71/900900671.db2.gz FIKXITXQZJVLCG-AWEZNQCLSA-N 1 0 399.369 3.659 50 5 GHBARO CCCCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000253429568 915998781 /nfs/dbraw/zinc/99/87/81/915998781.db2.gz NSMVEQDLXVAQSR-QZTJIDSGSA-N 1 0 393.484 3.505 50 5 GHBARO CCCCO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000253429573 916000432 /nfs/dbraw/zinc/00/04/32/916000432.db2.gz NSMVEQDLXVAQSR-ROUUACIJSA-N 1 0 393.484 3.505 50 5 GHBARO COc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000012756402 221226646 /nfs/dbraw/zinc/22/66/46/221226646.db2.gz KHGOCPVHSIZYFF-IBGZPJMESA-N 1 0 384.436 3.562 50 5 GHBARO CCc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000012796737 221234220 /nfs/dbraw/zinc/23/42/20/221234220.db2.gz UDQPFOJLJRINRN-SFHVURJKSA-N 1 0 375.856 3.843 50 5 GHBARO COc1ccccc1[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000013000715 221255259 /nfs/dbraw/zinc/25/52/59/221255259.db2.gz GIOGRCYWZTWUCL-GOSISDBHSA-N 1 0 384.436 3.562 50 5 GHBARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000011554729 570219532 /nfs/dbraw/zinc/21/95/32/570219532.db2.gz VAKWSNLSYHPNHQ-UHFFFAOYSA-N 1 0 395.463 3.847 50 5 GHBARO Cc1ccccc1OCCNc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000004455722 570785055 /nfs/dbraw/zinc/78/50/55/570785055.db2.gz YWLNLOBROCLLKK-CALCHBBNSA-N 1 0 384.480 3.581 50 5 GHBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(Cl)cc3)c2)CC[NH2+]1 ZINC000004044522 862736976 /nfs/dbraw/zinc/73/69/76/862736976.db2.gz SIGMJKNMNFXWED-CQSZACIVSA-N 1 0 390.871 3.537 50 5 GHBARO O=[N+]([O-])c1cccc(-c2noc(CSC3=[NH+]CCN3Cc3ccccc3)n2)c1 ZINC000001036299 212208758 /nfs/dbraw/zinc/20/87/58/212208758.db2.gz HJYXNRXPOJNRCF-UHFFFAOYSA-N 1 0 395.444 3.750 50 5 GHBARO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1 ZINC000008917440 221064560 /nfs/dbraw/zinc/06/45/60/221064560.db2.gz GKFVCIZJXGWFAA-HXUWFJFHSA-N 1 0 383.448 3.560 50 5 GHBARO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000010281732 221100495 /nfs/dbraw/zinc/10/04/95/221100495.db2.gz XWGOAWFOSMKQSQ-UHFFFAOYSA-N 1 0 383.448 3.519 50 5 GHBARO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013322851 221264750 /nfs/dbraw/zinc/26/47/50/221264750.db2.gz BLUFDENDQXJSKW-UHFFFAOYSA-N 1 0 384.480 3.713 50 5 GHBARO O=[N+]([O-])c1cccc([C@@]2(O)CN(c3cccc(Cl)c3)C3=[N+]2CCCCC3)c1 ZINC000017180046 221380637 /nfs/dbraw/zinc/38/06/37/221380637.db2.gz SOKASIUISDQXSB-FQEVSTJZSA-N 1 0 386.859 3.899 50 5 GHBARO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)c(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000057997439 222037802 /nfs/dbraw/zinc/03/78/02/222037802.db2.gz HPSDRKQRZYYTMT-QGZVFWFLSA-N 1 0 379.457 3.917 50 5 GHBARO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000072308761 222223716 /nfs/dbraw/zinc/22/37/16/222223716.db2.gz RYPYNJAUDVFVOP-OAQYLSRUSA-N 1 0 397.475 3.604 50 5 GHBARO COc1cc(CN(C)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1OC(F)F ZINC000023990781 570341389 /nfs/dbraw/zinc/34/13/89/570341389.db2.gz JZMPDFYLVUCGDJ-UHFFFAOYSA-N 1 0 392.362 3.644 50 5 GHBARO C[NH+](C)C[C@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000022696418 570524159 /nfs/dbraw/zinc/52/41/59/570524159.db2.gz LFUXAKUSZNXVAM-IBGZPJMESA-N 1 0 396.491 3.618 50 5 GHBARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000240551414 570879436 /nfs/dbraw/zinc/87/94/36/570879436.db2.gz GTMNTSZVRMQZQC-UYAOXDASSA-N 1 0 397.500 3.830 50 5 GHBARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000002104702 570946665 /nfs/dbraw/zinc/94/66/65/570946665.db2.gz RHYOWQKYWVLEIX-JKSUJKDBSA-N 1 0 391.427 3.636 50 5 biogenic GHBARO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+](C)C)cc1OC ZINC000006830978 220969054 /nfs/dbraw/zinc/96/90/54/220969054.db2.gz VCDGUFNXGJHRDW-IBGZPJMESA-N 1 0 396.447 3.875 50 5 GHBARO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000016420329 221362220 /nfs/dbraw/zinc/36/22/20/221362220.db2.gz WOLFISAHUGRTAN-LBPRGKRZSA-N 1 0 381.885 3.961 50 5 GHBARO COc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000024774726 570292139 /nfs/dbraw/zinc/29/21/39/570292139.db2.gz OIHXQFAUDBLJQJ-YWZLYKJASA-N 1 0 398.463 3.951 50 5 GHBARO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000023394677 570322590 /nfs/dbraw/zinc/32/25/90/570322590.db2.gz HZTWGLKNNKIDFZ-UHFFFAOYSA-N 1 0 398.463 3.911 50 5 GHBARO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccco1)Cc1ccccc1 ZINC000023992964 570341466 /nfs/dbraw/zinc/34/14/66/570341466.db2.gz APRKANMFYZZODI-UHFFFAOYSA-N 1 0 395.415 3.837 50 5 GHBARO CCOc1ccc(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)cc1 ZINC000002974606 220590781 /nfs/dbraw/zinc/59/07/81/220590781.db2.gz LLEYTZYGEMCQIX-JOCHJYFZSA-N 1 0 396.467 3.644 50 5 GHBARO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1 ZINC000004679334 220745490 /nfs/dbraw/zinc/74/54/90/220745490.db2.gz IUEQXWALPVLROR-UHFFFAOYSA-N 1 0 383.477 3.764 50 5 GHBARO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000011707677 221123655 /nfs/dbraw/zinc/12/36/55/221123655.db2.gz IZXDSHLYFFKNAJ-UONOGXRCSA-N 1 0 387.436 3.680 50 5 GHBARO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000048252742 570226919 /nfs/dbraw/zinc/22/69/19/570226919.db2.gz ULBUZDUNSYWQAI-MRXNPFEDSA-N 1 0 375.450 3.831 50 5 GHBARO COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C(C)C ZINC000052507967 570751073 /nfs/dbraw/zinc/75/10/73/570751073.db2.gz AHAURRPMZVUDDQ-NRFANRHFSA-N 1 0 397.475 3.728 50 5 GHBARO Cc1ccccc1OCCNc1cc(N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000004455724 570785026 /nfs/dbraw/zinc/78/50/26/570785026.db2.gz YWLNLOBROCLLKK-IRXDYDNUSA-N 1 0 384.480 3.581 50 5 GHBARO C[N@+]12CCCC[C@@H]1[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)CCC2 ZINC000252441377 570956665 /nfs/dbraw/zinc/95/66/65/570956665.db2.gz SPIFXQQJEWETEO-VAPDBKPJSA-N 1 0 394.535 3.875 50 5 biogenic GHBARO CC[NH+](CC)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000013068636 221260629 /nfs/dbraw/zinc/26/06/29/221260629.db2.gz DQHKSOYUJTXFQA-GOSISDBHSA-N 1 0 390.871 3.842 50 5 GHBARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000015906449 221352012 /nfs/dbraw/zinc/35/20/12/221352012.db2.gz HIKQRUATTDDDTQ-LACOWATDSA-N 1 0 377.444 3.751 50 5 GHBARO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000016420328 221361523 /nfs/dbraw/zinc/36/15/23/221361523.db2.gz WOLFISAHUGRTAN-GFCCVEGCSA-N 1 0 381.885 3.961 50 5 GHBARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000095979939 222367306 /nfs/dbraw/zinc/36/73/06/222367306.db2.gz TYYOCWYLDKGHNQ-UHFFFAOYSA-N 1 0 393.896 3.952 50 5 GHBARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000032902748 889104322 /nfs/dbraw/zinc/10/43/22/889104322.db2.gz DYWHILZUBYUGPL-ARKBFRDHSA-N 1 0 397.475 3.816 50 5 GHBARO COc1ccc(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)c(OC)c1OC ZINC000000819092 212185985 /nfs/dbraw/zinc/18/59/85/212185985.db2.gz LUFQXYPHBACFHF-UHFFFAOYSA-N 1 0 398.419 3.633 50 5 GHBARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000010653085 221105952 /nfs/dbraw/zinc/10/59/52/221105952.db2.gz FYEFNNJKKZKDRB-UHFFFAOYSA-N 1 0 381.436 3.539 50 5 GHBARO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000011707650 221123533 /nfs/dbraw/zinc/12/35/33/221123533.db2.gz IZXDSHLYFFKNAJ-KGLIPLIRSA-N 1 0 387.436 3.680 50 5 GHBARO CC[NH+](CC)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000013068634 221260112 /nfs/dbraw/zinc/26/01/12/221260112.db2.gz DQHKSOYUJTXFQA-SFHVURJKSA-N 1 0 390.871 3.842 50 5 GHBARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000032930738 570944216 /nfs/dbraw/zinc/94/42/16/570944216.db2.gz GJJMLHVIONNBDD-QGZVFWFLSA-N 1 0 397.475 3.664 50 5 GHBARO CCc1ccc(OCCNc2cc(N3C[C@@H](C)[NH2+][C@@H](C)C3)ccc2[N+](=O)[O-])cc1 ZINC000004181051 220689523 /nfs/dbraw/zinc/68/95/23/220689523.db2.gz OZGLGMXBKISLNB-CALCHBBNSA-N 1 0 398.507 3.835 50 5 GHBARO COc1ccc(C[N@@H+]2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1 ZINC000032916278 570927971 /nfs/dbraw/zinc/92/79/71/570927971.db2.gz IQURBKGTJUFLHQ-UHFFFAOYSA-N 1 0 392.459 3.864 50 5 GHBARO