smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599940150 412520402 /nfs/dbraw/zinc/52/04/02/412520402.db2.gz LTRCFIVSLFFYBL-NXEZZACHSA-N 1 1 321.337 -0.147 20 5 DBBDMO Nc1nccc(C(=O)NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000548712617 412520807 /nfs/dbraw/zinc/52/08/07/412520807.db2.gz YDGCUJANJDKOGB-UHFFFAOYSA-N 1 1 309.326 0.024 20 5 DBBDMO Nc1nccc(C(=O)NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000581438363 412522193 /nfs/dbraw/zinc/52/21/93/412522193.db2.gz MVOHTYLVIPONGC-UHFFFAOYSA-N 1 1 309.326 0.024 20 5 DBBDMO Nc1nccc(C(=O)NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000581438363 412522198 /nfs/dbraw/zinc/52/21/98/412522198.db2.gz MVOHTYLVIPONGC-UHFFFAOYSA-N 1 1 309.326 0.024 20 5 DBBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000340961392 138103096 /nfs/dbraw/zinc/10/30/96/138103096.db2.gz SUZSHHCSQLFXFK-LLVKDONJSA-N 1 1 309.326 -0.008 20 5 DBBDMO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000187270832 374294656 /nfs/dbraw/zinc/29/46/56/374294656.db2.gz DLFBTQXKJNFVIJ-LLVKDONJSA-N 1 1 311.342 -0.294 20 5 DBBDMO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000187270832 374294662 /nfs/dbraw/zinc/29/46/62/374294662.db2.gz DLFBTQXKJNFVIJ-LLVKDONJSA-N 1 1 311.342 -0.294 20 5 DBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000156828977 374646618 /nfs/dbraw/zinc/64/66/18/374646618.db2.gz YMZCATAWLNGAFP-ONGXEEELSA-N 1 1 311.342 -0.065 20 5 DBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000156828977 374646629 /nfs/dbraw/zinc/64/66/29/374646629.db2.gz YMZCATAWLNGAFP-ONGXEEELSA-N 1 1 311.342 -0.065 20 5 DBBDMO CS(=O)(=O)NCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000361379290 374756895 /nfs/dbraw/zinc/75/68/95/374756895.db2.gz UPNONDWGXPOMCG-UHFFFAOYSA-N 1 1 317.371 -0.195 20 5 DBBDMO CS(=O)(=O)NCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000361379290 374756899 /nfs/dbraw/zinc/75/68/99/374756899.db2.gz UPNONDWGXPOMCG-UHFFFAOYSA-N 1 1 317.371 -0.195 20 5 DBBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860034 374769398 /nfs/dbraw/zinc/76/93/98/374769398.db2.gz BLPLCGGXTKQLJW-DGCLKSJQSA-N 1 1 323.353 -0.151 20 5 DBBDMO COCC[C@@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361519914 374771931 /nfs/dbraw/zinc/77/19/31/374771931.db2.gz RDHQGGJPNAIUGV-DGCLKSJQSA-N 1 1 314.342 -0.111 20 5 DBBDMO COCC[C@@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361519914 374771941 /nfs/dbraw/zinc/77/19/41/374771941.db2.gz RDHQGGJPNAIUGV-DGCLKSJQSA-N 1 1 314.342 -0.111 20 5 DBBDMO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247685748 374858238 /nfs/dbraw/zinc/85/82/38/374858238.db2.gz UYFILBKRPARYCB-GXSJLCMTSA-N 1 1 320.371 -0.483 20 5 DBBDMO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247685748 374858246 /nfs/dbraw/zinc/85/82/46/374858246.db2.gz UYFILBKRPARYCB-GXSJLCMTSA-N 1 1 320.371 -0.483 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000611442801 374997055 /nfs/dbraw/zinc/99/70/55/374997055.db2.gz CFTMXVPFASBNFF-UHFFFAOYSA-N 1 1 311.342 -0.110 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC(=O)N1CCOCC1 ZINC000611442801 374997063 /nfs/dbraw/zinc/99/70/63/374997063.db2.gz CFTMXVPFASBNFF-UHFFFAOYSA-N 1 1 311.342 -0.110 20 5 DBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611516142 374998364 /nfs/dbraw/zinc/99/83/64/374998364.db2.gz VZWPLVNIXMZJNT-UHFFFAOYSA-N 1 1 311.342 -0.143 20 5 DBBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269920 375008067 /nfs/dbraw/zinc/00/80/67/375008067.db2.gz TYOMAAUCDJPOPU-SECBINFHSA-N 1 1 323.357 -0.034 20 5 DBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C(N)=O)CCCC1 ZINC000120168481 375465045 /nfs/dbraw/zinc/46/50/45/375465045.db2.gz SFGCRJPNMFHJQH-NSHDSACASA-N 1 1 311.342 -0.118 20 5 DBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000264438356 375531307 /nfs/dbraw/zinc/53/13/07/375531307.db2.gz BLCOEDFJMKAAEP-NSHDSACASA-N 1 1 324.341 -0.753 20 5 DBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(C[NH+]2CCOCC2)C1 ZINC000590557480 375661783 /nfs/dbraw/zinc/66/17/83/375661783.db2.gz BKECRGKHKHOZJQ-UHFFFAOYSA-N 1 1 309.326 -0.418 20 5 DBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000594345230 375921398 /nfs/dbraw/zinc/92/13/98/375921398.db2.gz XPGCECTUYUTWBH-UHFFFAOYSA-N 1 1 306.286 -0.742 20 5 DBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1COCCO1 ZINC000595738484 376029468 /nfs/dbraw/zinc/02/94/68/376029468.db2.gz JDILLBIXDWNDDG-RYUDHWBXSA-N 1 1 300.315 -0.501 20 5 DBBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000567375970 376095438 /nfs/dbraw/zinc/09/54/38/376095438.db2.gz RGOBNQFMKPIUEB-UHFFFAOYSA-N 1 1 321.337 -0.116 20 5 DBBDMO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596158689 376074785 /nfs/dbraw/zinc/07/47/85/376074785.db2.gz HJLQZNSGUHNPFD-SNVBAGLBSA-N 1 1 312.326 -0.175 20 5 DBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)n1 ZINC000597624806 376160366 /nfs/dbraw/zinc/16/03/66/376160366.db2.gz LNIKDSFTBDYGAG-SNVBAGLBSA-N 1 1 308.342 -0.552 20 5 DBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH2+]C2CC2)n1 ZINC000599106294 376244073 /nfs/dbraw/zinc/24/40/73/376244073.db2.gz DZGHKSKUFHZVCJ-UHFFFAOYSA-N 1 1 303.344 -0.251 20 5 DBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@H+](C)CC2)n1 ZINC000599207061 376257187 /nfs/dbraw/zinc/25/71/87/376257187.db2.gz OWIXDSCTOGKPBF-UHFFFAOYSA-N 1 1 303.344 -0.346 20 5 DBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@@H+](C)CC2)n1 ZINC000599207061 376257192 /nfs/dbraw/zinc/25/71/92/376257192.db2.gz OWIXDSCTOGKPBF-UHFFFAOYSA-N 1 1 303.344 -0.346 20 5 DBBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288886 376275936 /nfs/dbraw/zinc/27/59/36/376275936.db2.gz XZMUZBPFSHPQAY-UHFFFAOYSA-N 1 1 305.360 -0.053 20 5 DBBDMO CCOC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000599620388 376319899 /nfs/dbraw/zinc/31/98/99/376319899.db2.gz RSAFROIQVYTDHH-STQMWFEESA-N 1 1 314.342 -0.111 20 5 DBBDMO CCOC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000599620388 376319904 /nfs/dbraw/zinc/31/99/04/376319904.db2.gz RSAFROIQVYTDHH-STQMWFEESA-N 1 1 314.342 -0.111 20 5 DBBDMO CCOC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000599620386 376320474 /nfs/dbraw/zinc/32/04/74/376320474.db2.gz RSAFROIQVYTDHH-OLZOCXBDSA-N 1 1 314.342 -0.111 20 5 DBBDMO CCOC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000599620386 376320480 /nfs/dbraw/zinc/32/04/80/376320480.db2.gz RSAFROIQVYTDHH-OLZOCXBDSA-N 1 1 314.342 -0.111 20 5 DBBDMO CNC(=O)N[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000342338091 376592102 /nfs/dbraw/zinc/59/21/02/376592102.db2.gz LIDWJMLREZTLHO-SNVBAGLBSA-N 1 1 309.326 -0.240 20 5 DBBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000342338091 376592110 /nfs/dbraw/zinc/59/21/10/376592110.db2.gz LIDWJMLREZTLHO-SNVBAGLBSA-N 1 1 309.326 -0.240 20 5 DBBDMO C[NH+](C)C[C@H](O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573490861 377106115 /nfs/dbraw/zinc/10/61/15/377106115.db2.gz QIISGQZQBDPVBW-CHWSQXEVSA-N 1 1 313.354 -0.153 20 5 DBBDMO NC(=O)[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000367004006 377444294 /nfs/dbraw/zinc/44/42/94/377444294.db2.gz QKYIVMFISGEFLC-CQSZACIVSA-N 1 1 322.321 -0.155 20 5 DBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000356443666 378056832 /nfs/dbraw/zinc/05/68/32/378056832.db2.gz GGJFRZRGSGEFNC-UHFFFAOYSA-N 1 1 324.341 -0.778 20 5 DBBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455032907 378363481 /nfs/dbraw/zinc/36/34/81/378363481.db2.gz KLJBZABIUSACOK-SNVBAGLBSA-N 1 1 309.326 -0.058 20 5 DBBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455032907 378363486 /nfs/dbraw/zinc/36/34/86/378363486.db2.gz KLJBZABIUSACOK-SNVBAGLBSA-N 1 1 309.326 -0.058 20 5 DBBDMO CC(=O)N1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000268721615 378693423 /nfs/dbraw/zinc/69/34/23/378693423.db2.gz VYDCVNBGBAOHCN-GXFFZTMASA-N 1 1 311.342 -0.295 20 5 DBBDMO CC(=O)N1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000268721615 378693428 /nfs/dbraw/zinc/69/34/28/378693428.db2.gz VYDCVNBGBAOHCN-GXFFZTMASA-N 1 1 311.342 -0.295 20 5 DBBDMO CCN(CC)C(=O)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075586511 380143355 /nfs/dbraw/zinc/14/33/55/380143355.db2.gz MHFOBZHRJNAGLH-LBPRGKRZSA-N 1 1 313.358 -0.048 20 5 DBBDMO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075739529 380426686 /nfs/dbraw/zinc/42/66/86/380426686.db2.gz UYFILBKRPARYCB-KOLCDFICSA-N 1 1 320.371 -0.483 20 5 DBBDMO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075739529 380426693 /nfs/dbraw/zinc/42/66/93/380426693.db2.gz UYFILBKRPARYCB-KOLCDFICSA-N 1 1 320.371 -0.483 20 5 DBBDMO O=C(NCCCN1CCNC(=O)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000271072827 381020153 /nfs/dbraw/zinc/02/01/53/381020153.db2.gz YRHKVBQSWRLWOM-UHFFFAOYSA-N 1 1 323.309 -0.753 20 5 DBBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000271355200 381025314 /nfs/dbraw/zinc/02/53/14/381025314.db2.gz FNJNPCKHZHWLOH-JTQLQIEISA-N 1 1 311.342 -0.143 20 5 DBBDMO CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1CCO ZINC000614894447 381375394 /nfs/dbraw/zinc/37/53/94/381375394.db2.gz DDQBYMLOYVCHMZ-UHFFFAOYSA-N 1 1 312.330 -0.899 20 5 DBBDMO CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1CCO ZINC000614894447 381375402 /nfs/dbraw/zinc/37/54/02/381375402.db2.gz DDQBYMLOYVCHMZ-UHFFFAOYSA-N 1 1 312.330 -0.899 20 5 DBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619874036 382526488 /nfs/dbraw/zinc/52/64/88/382526488.db2.gz WWWBEMZZXZJOTJ-NSHDSACASA-N 1 1 308.342 -0.703 20 5 DBBDMO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](CO)O1 ZINC000420948574 382512408 /nfs/dbraw/zinc/51/24/08/382512408.db2.gz VRGXAOITOBJBDL-NWDGAFQWSA-N 1 1 314.342 -0.376 20 5 DBBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](CO)O1 ZINC000420948574 382512416 /nfs/dbraw/zinc/51/24/16/382512416.db2.gz VRGXAOITOBJBDL-NWDGAFQWSA-N 1 1 314.342 -0.376 20 5 DBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277697248 382590584 /nfs/dbraw/zinc/59/05/84/382590584.db2.gz KLSPVRGQUUBCPX-SNVBAGLBSA-N 1 1 309.326 -0.329 20 5 DBBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000155727441 382598806 /nfs/dbraw/zinc/59/88/06/382598806.db2.gz CDZOZUJSGKZIMS-SECBINFHSA-N 1 1 303.344 -0.585 20 5 DBBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000155727441 382598808 /nfs/dbraw/zinc/59/88/08/382598808.db2.gz CDZOZUJSGKZIMS-SECBINFHSA-N 1 1 303.344 -0.585 20 5 DBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 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XZFUTZGOOYWGKR-SCRDCRAPSA-N 1 1 323.353 -0.438 20 5 DBBDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC001333424595 808058852 /nfs/dbraw/zinc/05/88/52/808058852.db2.gz XZFUTZGOOYWGKR-MBNYWOFBSA-N 1 1 323.353 -0.438 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949092117 808393064 /nfs/dbraw/zinc/39/30/64/808393064.db2.gz PPPCMRDSVNCOEQ-VXGBXAGGSA-N 1 1 313.354 -0.663 20 5 DBBDMO NS(=O)(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001337132712 808437848 /nfs/dbraw/zinc/43/78/48/808437848.db2.gz QVTUGRNACMHHTA-SNVBAGLBSA-N 1 1 316.339 -0.881 20 5 DBBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001337132712 808437850 /nfs/dbraw/zinc/43/78/50/808437850.db2.gz QVTUGRNACMHHTA-SNVBAGLBSA-N 1 1 316.339 -0.881 20 5 DBBDMO C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001339070640 808578203 /nfs/dbraw/zinc/57/82/03/808578203.db2.gz TYRJRPWLCFNJLL-ONGXEEELSA-N 1 1 310.358 -0.308 20 5 DBBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@@](=O)C1 ZINC001339094755 808579114 /nfs/dbraw/zinc/57/91/14/808579114.db2.gz OHABMGMYWCFUSF-SXUOVDMSSA-N 1 1 316.383 -0.147 20 5 DBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@@](=O)C1 ZINC001339094755 808579123 /nfs/dbraw/zinc/57/91/23/808579123.db2.gz OHABMGMYWCFUSF-SXUOVDMSSA-N 1 1 316.383 -0.147 20 5 DBBDMO COCC(=O)N1C[C@@H]2C[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@@H]2C1 ZINC001048630397 817384673 /nfs/dbraw/zinc/38/46/73/817384673.db2.gz DHKLAVKGVWWFQT-PHIMTYICSA-N 1 1 323.353 -0.135 20 5 DBBDMO COCC(=O)N1C[C@@H]2C[N@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@@H]2C1 ZINC001048630397 817384683 /nfs/dbraw/zinc/38/46/83/817384683.db2.gz DHKLAVKGVWWFQT-PHIMTYICSA-N 1 1 323.353 -0.135 20 5 DBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048812760 817447992 /nfs/dbraw/zinc/44/79/92/817447992.db2.gz PHEYLCGUKBKODU-YVECIDJPSA-N 1 1 320.353 -0.667 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048812760 817447997 /nfs/dbraw/zinc/44/79/97/817447997.db2.gz PHEYLCGUKBKODU-YVECIDJPSA-N 1 1 320.353 -0.667 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048812760 817448004 /nfs/dbraw/zinc/44/80/04/817448004.db2.gz PHEYLCGUKBKODU-YVECIDJPSA-N 1 1 320.353 -0.667 20 5 DBBDMO C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001055331965 818235114 /nfs/dbraw/zinc/23/51/14/818235114.db2.gz XSXIWVKXUBAEBP-YVECIDJPSA-N 1 1 324.381 -0.480 20 5 DBBDMO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCC1 ZINC001086363090 825243378 /nfs/dbraw/zinc/24/33/78/825243378.db2.gz BCALHKRUZKLXDM-DDHJBXDOSA-N 1 1 310.354 -0.632 20 5 DBBDMO Cc1cc([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc1Cl ZINC001162439769 833099620 /nfs/dbraw/zinc/09/96/20/833099620.db2.gz OJWXCJLUSSALHS-ARENWVFISA-N 1 1 313.749 -0.551 20 5 DBBDMO [NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])c3ccccc32)[C@@H]2NCN[C@@H]21 ZINC001162440817 833100496 /nfs/dbraw/zinc/10/04/96/833100496.db2.gz VYRNWUOGKHZITG-BZPMIXESSA-N 1 1 315.337 -0.360 20 5 DBBDMO COc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc(C)c1[N+](=O)[O-] ZINC001163234949 833139821 /nfs/dbraw/zinc/13/98/21/833139821.db2.gz CQAIPFDCYABNEN-JMCQJSRRSA-N 1 1 308.298 -0.308 20 5 DBBDMO O=C1NC(=O)[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])S1 ZINC001163664260 833162312 /nfs/dbraw/zinc/16/23/12/833162312.db2.gz AZWAWOGEZNPALT-SECBINFHSA-N 1 1 310.295 -0.207 20 5 DBBDMO CN(c1cc2c(cc1[N+](=O)[O-])CNC2)S(=O)(=O)CC[NH3+] ZINC001164297189 833203733 /nfs/dbraw/zinc/20/37/33/833203733.db2.gz MBDMPYGJLNFOQE-UHFFFAOYSA-N 1 1 300.340 -0.077 20 5 DBBDMO CCOC(=O)COc1ncc(-n2cnc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC001168753953 833327783 /nfs/dbraw/zinc/32/77/83/833327783.db2.gz JUDVEOZDEDOJHR-UHFFFAOYSA-N 1 1 322.281 -0.029 20 5 DBBDMO Cc1[nH]nc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001118131903 829038172 /nfs/dbraw/zinc/03/81/72/829038172.db2.gz OMVSVLWFVUCMMI-VHSXEESVSA-N 1 1 319.325 -0.073 20 5 DBBDMO N[C@@H](CCC[NH3+])Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001170896188 833362114 /nfs/dbraw/zinc/36/21/14/833362114.db2.gz CCCRXPOZYGLVDT-SECBINFHSA-N 1 1 311.346 -0.343 20 5 DBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC001118946445 829196627 /nfs/dbraw/zinc/19/66/27/829196627.db2.gz BCHMEFBEQNZVKV-VIFPVBQESA-N 1 1 324.341 -0.602 20 5 DBBDMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001176165916 833401851 /nfs/dbraw/zinc/40/18/51/833401851.db2.gz AVJCPKRHKHOBJT-UHFFFAOYSA-N 1 1 324.385 -0.076 20 5 DBBDMO CN(C)C(=O)C[N@H+]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001176165916 833401853 /nfs/dbraw/zinc/40/18/53/833401853.db2.gz AVJCPKRHKHOBJT-UHFFFAOYSA-N 1 1 324.385 -0.076 20 5 DBBDMO Cc1cnn(CC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC001124282215 829732294 /nfs/dbraw/zinc/73/22/94/829732294.db2.gz SKFWAVVFTSLOMK-UHFFFAOYSA-N 1 1 321.341 -0.261 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cc[nH]c(=O)c1 ZINC001125604571 829863972 /nfs/dbraw/zinc/86/39/72/829863972.db2.gz GCYNIPQDULWNFX-UHFFFAOYSA-N 1 1 320.309 -0.052 20 5 DBBDMO COc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)on1 ZINC001126031785 829898432 /nfs/dbraw/zinc/89/84/32/829898432.db2.gz BQYKHNYREAHCEQ-UHFFFAOYSA-N 1 1 324.297 -0.156 20 5 DBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccccc1 ZINC001126942674 829971621 /nfs/dbraw/zinc/97/16/21/829971621.db2.gz DJTTXHNVKDVKMA-VXGBXAGGSA-N 1 1 306.322 -0.004 20 5 DBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCC(F)(F)F ZINC001126942620 829971927 /nfs/dbraw/zinc/97/19/27/829971927.db2.gz CQJJYJOLZMEZKE-RNFRBKRXSA-N 1 1 312.248 -0.964 20 5 DBBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC001147026342 831327075 /nfs/dbraw/zinc/32/70/75/831327075.db2.gz HVDUUZQMGGZWPT-LLVKDONJSA-N 1 1 311.342 -0.063 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153487934 831812826 /nfs/dbraw/zinc/81/28/26/831812826.db2.gz UBZICOOCVOCLBY-UHFFFAOYSA-N 1 1 307.314 -0.569 20 5 DBBDMO O=C(NCCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1CC1[N+](=O)[O-] ZINC001157767100 832061628 /nfs/dbraw/zinc/06/16/28/832061628.db2.gz HHRUCQVJTDYRJI-NXEZZACHSA-N 1 1 324.341 -0.931 20 5 DBBDMO CCn1c(C)nnc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157761362 832061754 /nfs/dbraw/zinc/06/17/54/832061754.db2.gz PIOJOJOLWZPWAQ-GHMZBOCLSA-N 1 1 310.358 -0.132 20 5 DBBDMO Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1=O ZINC001157760708 832061967 /nfs/dbraw/zinc/06/19/67/832061967.db2.gz HQMYIPNBFJWUGE-VXGBXAGGSA-N 1 1 308.338 -0.354 20 5 DBBDMO CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775044 832062860 /nfs/dbraw/zinc/06/28/60/832062860.db2.gz JELREIKOYZRMEK-GHMZBOCLSA-N 1 1 300.359 -0.480 20 5 DBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@@H+]1CCCO ZINC001159092297 832155823 /nfs/dbraw/zinc/15/58/23/832155823.db2.gz XEOBPKQKFCNKJT-LLVKDONJSA-N 1 1 311.342 -0.246 20 5 DBBDMO NC(=O)c1ccnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1[N+](=O)[O-] ZINC001187525604 833932179 /nfs/dbraw/zinc/93/21/79/833932179.db2.gz UCPUWUJNOJUVHX-VHSXEESVSA-N 1 1 321.337 -0.266 20 5 DBBDMO COC(=O)c1cnc(NCCN2CC[NH2+]CC2=O)c([N+](=O)[O-])c1 ZINC001161020130 832965919 /nfs/dbraw/zinc/96/59/19/832965919.db2.gz XSAYDPJESTXEIK-UHFFFAOYSA-N 1 1 323.309 -0.380 20 5 DBBDMO COc1nc(C)c([N+](=O)[O-])c(NCCN2CC[NH2+]CC2=O)n1 ZINC001161019040 832965924 /nfs/dbraw/zinc/96/59/24/832965924.db2.gz IWUDTJGGBLUJKW-UHFFFAOYSA-N 1 1 310.314 -0.454 20 5 DBBDMO CN1CC[NH+](CCCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 ZINC001255165284 834606127 /nfs/dbraw/zinc/60/61/27/834606127.db2.gz PELQCXNCPGGTPT-UHFFFAOYSA-N 1 1 323.353 -0.507 20 5 DBBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001194525072 834608169 /nfs/dbraw/zinc/60/81/69/834608169.db2.gz ITZBMWOGBDIWMN-AOOOYVTPSA-N 1 1 318.289 -0.602 20 5 DBBDMO COC(=O)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+](C)C1 ZINC001195225803 834665229 /nfs/dbraw/zinc/66/52/29/834665229.db2.gz VNDGQZNYPACWCJ-LLVKDONJSA-N 1 1 311.342 -0.172 20 5 DBBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001195225803 834665232 /nfs/dbraw/zinc/66/52/32/834665232.db2.gz VNDGQZNYPACWCJ-LLVKDONJSA-N 1 1 311.342 -0.172 20 5 DBBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001195225803 834665233 /nfs/dbraw/zinc/66/52/33/834665233.db2.gz VNDGQZNYPACWCJ-LLVKDONJSA-N 1 1 311.342 -0.172 20 5 DBBDMO O=C(NCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001200471065 835131723 /nfs/dbraw/zinc/13/17/23/835131723.db2.gz CTWPEPVXCMDZMX-CHWSQXEVSA-N 1 1 324.381 -0.242 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCOCCO)CC1 ZINC001205224641 835338307 /nfs/dbraw/zinc/33/83/07/835338307.db2.gz VUQYEQBCWYPEMM-CHWSQXEVSA-N 1 1 315.370 -0.511 20 5 DBBDMO C[N@@H+](CCOCCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485757559 1013348828 /nfs/dbraw/zinc/34/88/28/1013348828.db2.gz UXSORUSDLZEQLZ-CHWSQXEVSA-N 1 1 315.370 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ZINC001011112849 812844179 /nfs/dbraw/zinc/84/41/79/812844179.db2.gz QNPZEQBMSUXZEA-VXGBXAGGSA-N 1 1 322.365 -0.582 20 5 DBBDMO CCn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001020139059 814312132 /nfs/dbraw/zinc/31/21/32/814312132.db2.gz OQPVJPKLXHSRHO-CNVPUSNMSA-N 1 1 308.342 -0.300 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001020341050 814357076 /nfs/dbraw/zinc/35/70/76/814357076.db2.gz KOAYJWIDXSYFRN-ZKCHVHJHSA-N 1 1 320.313 -0.503 20 5 DBBDMO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064362955 819690565 /nfs/dbraw/zinc/69/05/65/819690565.db2.gz AJELQGNEZHCJGZ-GHMZBOCLSA-N 1 1 312.370 -0.242 20 5 DBBDMO CCN(C(=O)C[NH+]1CCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079806843 823968371 /nfs/dbraw/zinc/96/83/71/823968371.db2.gz ABOGQVGESSYVKF-CHWSQXEVSA-N 1 1 324.381 -0.193 20 5 DBBDMO Cn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363375 825243601 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Cc1ccncc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001484482908 1012709392 /nfs/dbraw/zinc/70/93/92/1012709392.db2.gz ZLHXMGOPNSRUDF-ZIAGYGMSSA-N 1 1 322.365 -0.034 20 5 DBBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001604777985 1018447917 /nfs/dbraw/zinc/44/79/17/1018447917.db2.gz AXSUJHCGALFCCS-UHFFFAOYSA-N 1 1 322.329 -0.307 20 5 DBBDMO CCCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001501219127 1018599888 /nfs/dbraw/zinc/59/98/88/1018599888.db2.gz AMICGWCQBHEZRV-YVECIDJPSA-N 1 1 324.381 -0.432 20 5 DBBDMO CCCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001501219127 1018599900 /nfs/dbraw/zinc/59/99/00/1018599900.db2.gz AMICGWCQBHEZRV-YVECIDJPSA-N 1 1 324.381 -0.432 20 5 DBBDMO CCCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001501219127 1018599913 /nfs/dbraw/zinc/59/99/13/1018599913.db2.gz AMICGWCQBHEZRV-YVECIDJPSA-N 1 1 324.381 -0.432 20 5 DBBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001609600080 1019528848 /nfs/dbraw/zinc/52/88/48/1019528848.db2.gz PCKMYABMQYNUIS-CMPLNLGQSA-N 1 1 320.309 -0.440 20 5 DBBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001609600080 1019528860 /nfs/dbraw/zinc/52/88/60/1019528860.db2.gz PCKMYABMQYNUIS-CMPLNLGQSA-N 1 1 320.309 -0.440 20 5 DBBDMO CCCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001506884330 1019981482 /nfs/dbraw/zinc/98/14/82/1019981482.db2.gz QODMNEJNPFVNCO-DDHJBXDOSA-N 1 1 312.370 -0.338 20 5 DBBDMO C[NH+]1CCC(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001583311531 1020987162 /nfs/dbraw/zinc/98/71/62/1020987162.db2.gz URIMEUXDXZSBML-XCUNLHGCSA-N 1 1 324.381 -0.218 20 5 DBBDMO O=C(NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001585075837 1021045063 /nfs/dbraw/zinc/04/50/63/1021045063.db2.gz FMWFJZYHYOEKDI-GHMZBOCLSA-N 1 1 322.365 -0.488 20 5 DBBDMO 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ZINC001570196590 1025520376 /nfs/dbraw/zinc/52/03/76/1025520376.db2.gz LCRWSCCXKDYHQL-GHMZBOCLSA-N 1 1 300.359 -0.480 20 5 DBBDMO CN(C)C(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001570674051 1025701495 /nfs/dbraw/zinc/70/14/95/1025701495.db2.gz RCICEYILUNHZAJ-GHMZBOCLSA-N 1 1 314.386 -0.186 20 5 DBBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548090664 412490474 /nfs/dbraw/zinc/49/04/74/412490474.db2.gz JSFUZXLYUCGZHW-UHFFFAOYSA-N 1 1 323.353 0.101 20 5 DBBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548387026 412503889 /nfs/dbraw/zinc/50/38/89/412503889.db2.gz NNQSEAQHRKBHDU-SNVBAGLBSA-N 1 1 323.353 0.101 20 5 DBBDMO C[NH+]1CCN(CCCCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000609075074 412505533 /nfs/dbraw/zinc/50/55/33/412505533.db2.gz WKHVIOSVGCRZLG-UHFFFAOYSA-N 1 1 309.374 -0.172 20 5 DBBDMO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+](C)C1 ZINC000413498395 412519968 /nfs/dbraw/zinc/51/99/68/412519968.db2.gz 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O=C(CCC[NH+]1CCCC1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001522628660 1021822656 /nfs/dbraw/zinc/82/26/56/1021822656.db2.gz ULTFQEQQOCARLA-VXGBXAGGSA-N 1 1 312.370 -0.240 20 5 DBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001558702414 1023969771 /nfs/dbraw/zinc/96/97/71/1023969771.db2.gz RHYZLSWQTPSBGM-QWRGUYRKSA-N 1 1 323.353 -0.001 20 5 DBBDMO NC(=O)NC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001559889647 1023994988 /nfs/dbraw/zinc/99/49/88/1023994988.db2.gz RBJNSVWCCVZDGD-UHFFFAOYSA-N 1 1 322.325 -0.303 20 5 DBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001567317858 1024629001 /nfs/dbraw/zinc/62/90/01/1024629001.db2.gz YWBRXTPRIKTNEN-TZMCWYRMSA-N 1 1 309.322 -0.189 20 5 DBBDMO C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000584664247 412512459 /nfs/dbraw/zinc/51/24/59/412512459.db2.gz AJZWFMKVZKRITD-AOOOYVTPSA-N 1 1 323.353 0.099 20 5 DBBDMO C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO 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ZINC001345151658 980033017 /nfs/dbraw/zinc/03/30/17/980033017.db2.gz SFNCOSOPNLFHSI-GFCCVEGCSA-N 1 1 322.369 -0.014 20 5 DBBDMO O=[N+]([O-])Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1CC1 ZINC001345151658 980033023 /nfs/dbraw/zinc/03/30/23/980033023.db2.gz SFNCOSOPNLFHSI-GFCCVEGCSA-N 1 1 322.369 -0.014 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001350561500 980583979 /nfs/dbraw/zinc/58/39/79/980583979.db2.gz XPEPRLXDGYGSNU-UHFFFAOYSA-N 1 1 322.369 -0.442 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001351631245 980676618 /nfs/dbraw/zinc/67/66/18/980676618.db2.gz DGQWWRUCZNDGJJ-LLVKDONJSA-N 1 1 310.358 -0.538 20 5 DBBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001357815124 981094481 /nfs/dbraw/zinc/09/44/81/981094481.db2.gz RNJSHKWUPVEIIV-GKUNOOHESA-N 1 1 312.370 -0.220 20 5 DBBDMO CC(C)[N@H+](C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357815124 981094491 /nfs/dbraw/zinc/09/44/91/981094491.db2.gz 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CNc1nccc(C(=O)N2CC([NH2+]C3COC3)C2)c1[N+](=O)[O-] ZINC001598274395 1017253858 /nfs/dbraw/zinc/25/38/58/1017253858.db2.gz GMNPOHZTDCFXCK-UHFFFAOYSA-N 1 1 307.310 -0.156 20 5 DBBDMO C[C@H](Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)C[NH+]1CCOCC1 ZINC001458899068 1008896068 /nfs/dbraw/zinc/89/60/68/1008896068.db2.gz VFFABJYYWAKVNY-JTQLQIEISA-N 1 1 324.337 -0.176 20 5 DBBDMO COC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001460749635 1009107263 /nfs/dbraw/zinc/10/72/63/1009107263.db2.gz UJRWBCUVCSUVSI-ONGXEEELSA-N 1 1 313.314 -0.418 20 5 DBBDMO NC(=O)[C@@H]1C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC001473642409 1009938522 /nfs/dbraw/zinc/93/85/22/1009938522.db2.gz KAKNTYIEOPLJMJ-HTQZYQBOSA-N 1 1 310.285 -0.248 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001473859390 1009962803 /nfs/dbraw/zinc/96/28/03/1009962803.db2.gz JKMSRHVUTKISNH-GMXVVIOVSA-N 1 1 313.333 -0.120 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1 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NC(=O)C[C@@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353668874 382641441 /nfs/dbraw/zinc/64/14/41/382641441.db2.gz QQVLZNJQMIHNBA-PSASIEDQSA-N 1 1 322.325 -0.795 20 5 DBBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000604060375 382641447 /nfs/dbraw/zinc/64/14/47/382641447.db2.gz ZYCYPFOJJHYAFJ-UHFFFAOYSA-N 1 1 324.341 -0.976 20 5 DBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000356482098 382644967 /nfs/dbraw/zinc/64/49/67/382644967.db2.gz QRQDVUFEVHZVDQ-VIFPVBQESA-N 1 1 324.341 -0.602 20 5 DBBDMO COCC[N@H+]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000358348784 382646589 /nfs/dbraw/zinc/64/65/89/382646589.db2.gz HBOALWQOPVZHJF-UHFFFAOYSA-N 1 1 312.330 -0.633 20 5 DBBDMO COCC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000172225586 382669540 /nfs/dbraw/zinc/66/95/40/382669540.db2.gz VKUQTWNHKLOLDY-LLVKDONJSA-N 1 1 311.342 -0.030 20 5 DBBDMO COCC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000172225586 382669541 /nfs/dbraw/zinc/66/95/41/382669541.db2.gz VKUQTWNHKLOLDY-LLVKDONJSA-N 1 1 311.342 -0.030 20 5 DBBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000349777918 392139745 /nfs/dbraw/zinc/13/97/45/392139745.db2.gz VFUALULOCIIAMT-LBPRGKRZSA-N 1 1 324.385 -0.067 20 5 DBBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000351831176 392157582 /nfs/dbraw/zinc/15/75/82/392157582.db2.gz JWESRPBULHGRGY-VIFPVBQESA-N 1 1 324.341 -0.365 20 5 DBBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000552309018 392131539 /nfs/dbraw/zinc/13/15/39/392131539.db2.gz SEJPDHCVDPQCPZ-UHFFFAOYSA-N 1 1 310.314 -0.788 20 5 DBBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357944741 393088034 /nfs/dbraw/zinc/08/80/34/393088034.db2.gz NMNMUXRVCZEAFR-VIFPVBQESA-N 1 1 303.344 -0.456 20 5 DBBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357944741 393088050 /nfs/dbraw/zinc/08/80/50/393088050.db2.gz NMNMUXRVCZEAFR-VIFPVBQESA-N 1 1 303.344 -0.456 20 5 DBBDMO CNc1nccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000557595733 412338941 /nfs/dbraw/zinc/33/89/41/412338941.db2.gz JKKOFDHUUHPGFJ-SNVBAGLBSA-N 1 1 322.369 0.007 20 5 DBBDMO CNc1nccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000557595733 412338948 /nfs/dbraw/zinc/33/89/48/412338948.db2.gz JKKOFDHUUHPGFJ-SNVBAGLBSA-N 1 1 322.369 0.007 20 5 DBBDMO COC(=O)c1cc(C)nc(NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000342832194 412378654 /nfs/dbraw/zinc/37/86/54/412378654.db2.gz RIUXSVNGJZGGHG-AWEZNQCLSA-N 1 1 324.337 0.563 20 5 DBBDMO COC(=O)C[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719704 418973104 /nfs/dbraw/zinc/97/31/04/418973104.db2.gz GERDCCHLHZQJCI-QMMMGPOBSA-N 1 1 307.266 0.300 20 5 DBBDMO C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C[NH+]1CCOCC1 ZINC000434315952 266049259 /nfs/dbraw/zinc/04/92/59/266049259.db2.gz KSXPKCLNNSCQHP-ZDUSSCGKSA-N 1 1 312.326 -0.264 20 5 DBBDMO NC(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441512925 266115097 /nfs/dbraw/zinc/11/50/97/266115097.db2.gz RLPVPRBKGYUKRG-PWSUYJOCSA-N 1 1 311.342 -0.118 20 5 DBBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000494849575 266199324 /nfs/dbraw/zinc/19/93/24/266199324.db2.gz GWNLIKXFLZINFG-UHFFFAOYSA-N 1 1 313.362 -0.814 20 5 DBBDMO CN(CCCNC(=O)Cn1cnc([N+](=O)[O-])n1)CC[NH+](C)C ZINC000494849575 266199326 /nfs/dbraw/zinc/19/93/26/266199326.db2.gz GWNLIKXFLZINFG-UHFFFAOYSA-N 1 1 313.362 -0.814 20 5 DBBDMO C[N@@H+](CCN1CCCC1=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525784813 266347639 /nfs/dbraw/zinc/34/76/39/266347639.db2.gz SHCSVNFYBLRCEW-GFCCVEGCSA-N 1 1 311.342 -0.294 20 5 DBBDMO C[C@H](CO)[N@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357664099 279360374 /nfs/dbraw/zinc/36/03/74/279360374.db2.gz MGJIFMFEDBTBJA-SNVBAGLBSA-N 1 1 323.353 -0.018 20 5 DBBDMO [NH3+]Cc1nnnn1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000584528096 337356212 /nfs/dbraw/zinc/35/62/12/337356212.db2.gz ZWIDOLGBKVTGFR-UHFFFAOYSA-N 1 1 321.253 -0.593 20 5 DBBDMO CCN1C(=O)[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000364825853 521535383 /nfs/dbraw/zinc/53/53/83/521535383.db2.gz CSQPNOBGZPGTBM-LLVKDONJSA-N 1 1 322.325 -0.240 20 5 DBBDMO CN(C)c1[nH+]cc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)n1C ZINC000264990311 522342311 /nfs/dbraw/zinc/34/23/11/522342311.db2.gz BFFWLEAHIQGQIV-UHFFFAOYSA-N 1 1 307.314 -0.093 20 5 DBBDMO COCC[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000264900616 523840332 /nfs/dbraw/zinc/84/03/32/523840332.db2.gz LIANZTBFPYYDPN-UHFFFAOYSA-N 1 1 311.342 -0.028 20 5 DBBDMO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)CN1CC[NH+](C)CC1 ZINC000264990123 524392550 /nfs/dbraw/zinc/39/25/50/524392550.db2.gz BBENUVDSCODFJK-GFCCVEGCSA-N 1 1 324.385 -0.209 20 5 DBBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1CCO ZINC000331185857 524799820 /nfs/dbraw/zinc/79/98/20/524799820.db2.gz SYGBHFLNOKDYAW-LLVKDONJSA-N 1 1 324.337 -0.719 20 5 DBBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1CCO ZINC000331185857 524799831 /nfs/dbraw/zinc/79/98/31/524799831.db2.gz SYGBHFLNOKDYAW-LLVKDONJSA-N 1 1 324.337 -0.719 20 5 DBBDMO C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000347095542 525105670 /nfs/dbraw/zinc/10/56/70/525105670.db2.gz RQMAURKKWZOFTJ-VHSXEESVSA-N 1 1 311.342 -0.145 20 5 DBBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](CCCO)CC1 ZINC000263723836 527035483 /nfs/dbraw/zinc/03/54/83/527035483.db2.gz BPQHASQCNGOFSZ-UHFFFAOYSA-N 1 1 309.326 -0.407 20 5 DBBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000336864711 527046330 /nfs/dbraw/zinc/04/63/30/527046330.db2.gz LANULDCEEKMCMY-CYBMUJFWSA-N 1 1 308.294 -0.884 20 5 DBBDMO NC(=O)c1ccc(C[N@H+]2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000336864711 527046336 /nfs/dbraw/zinc/04/63/36/527046336.db2.gz LANULDCEEKMCMY-CYBMUJFWSA-N 1 1 308.294 -0.884 20 5 DBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000332012873 527327593 /nfs/dbraw/zinc/32/75/93/527327593.db2.gz RCCFPADMKAKNSQ-MWLCHTKSSA-N 1 1 309.326 -0.127 20 5 DBBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000369996081 536304659 /nfs/dbraw/zinc/30/46/59/536304659.db2.gz LPDZVTOYJHKUCR-LLVKDONJSA-N 1 1 317.371 -0.195 20 5 DBBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000369996081 536304663 /nfs/dbraw/zinc/30/46/63/536304663.db2.gz LPDZVTOYJHKUCR-LLVKDONJSA-N 1 1 317.371 -0.195 20 5 DBBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000285985768 536479618 /nfs/dbraw/zinc/47/96/18/536479618.db2.gz YBXLBBMDGHRWHD-VXGBXAGGSA-N 1 1 309.326 -0.277 20 5 DBBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610681447 664274061 /nfs/dbraw/zinc/27/40/61/664274061.db2.gz YIZICKQYPQLKLJ-UHFFFAOYSA-N 1 1 309.326 -0.231 20 5 DBBDMO C[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000991287898 674648853 /nfs/dbraw/zinc/64/88/53/674648853.db2.gz LXQMOEPIWULGMH-VXGBXAGGSA-N 1 1 310.354 -0.680 20 5 DBBDMO CC1CC[NH+](CC(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000991292312 674655797 /nfs/dbraw/zinc/65/57/97/674655797.db2.gz FKFVEJGLSZSADZ-CHWSQXEVSA-N 1 1 324.381 -0.290 20 5 DBBDMO Cn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983652639 671227416 /nfs/dbraw/zinc/22/74/16/671227416.db2.gz DUWIPJILWUOQRP-GWOFURMSSA-N 1 1 308.342 -0.535 20 5 DBBDMO Cn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001031661029 677493735 /nfs/dbraw/zinc/49/37/35/677493735.db2.gz KNXXCGGTZBKTLD-CHWSQXEVSA-N 1 1 307.354 -0.324 20 5 DBBDMO Cn1cnnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996430028 678247562 /nfs/dbraw/zinc/24/75/62/678247562.db2.gz YOFUYDZDEHHJLT-GHMZBOCLSA-N 1 1 308.342 -0.439 20 5 DBBDMO Cn1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997771369 678508943 /nfs/dbraw/zinc/50/89/43/678508943.db2.gz GTUMKZWJXSNXHL-CHWSQXEVSA-N 1 1 322.369 -0.192 20 5 DBBDMO O=C(C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCC1 ZINC001001393369 678928852 /nfs/dbraw/zinc/92/88/52/678928852.db2.gz ARPAUWOJUQTBFI-CHWSQXEVSA-N 1 1 324.381 -0.288 20 5 DBBDMO O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C12CC[NH+](CC1)C2 ZINC001003331078 679034181 /nfs/dbraw/zinc/03/41/81/679034181.db2.gz KZOUFZUXFDTJTB-VXGBXAGGSA-N 1 1 322.365 -0.678 20 5 DBBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001302503888 805910502 /nfs/dbraw/zinc/91/05/02/805910502.db2.gz OUNLWSYBXWUMLW-CYBMUJFWSA-N 1 1 310.310 -0.742 20 5 DBBDMO Cn1cc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([N+](=O)[O-])n1 ZINC001307994321 805932948 /nfs/dbraw/zinc/93/29/48/805932948.db2.gz NOGBKFLJDVDBKH-BETUJISGSA-N 1 1 307.310 -0.187 20 5 DBBDMO CN(C)C(=O)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001316914042 806030178 /nfs/dbraw/zinc/03/01/78/806030178.db2.gz DZOJRFLCLJKEBM-VXGBXAGGSA-N 1 1 312.370 -0.290 20 5 DBBDMO CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001317585332 806195901 /nfs/dbraw/zinc/19/59/01/806195901.db2.gz PLNODTNSOMZLGI-VXGBXAGGSA-N 1 1 312.370 -0.290 20 5 DBBDMO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319591140 806395233 /nfs/dbraw/zinc/39/52/33/806395233.db2.gz DCEAEYURZKXPNZ-LLVKDONJSA-N 1 1 324.337 -0.407 20 5 DBBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319591140 806395244 /nfs/dbraw/zinc/39/52/44/806395244.db2.gz DCEAEYURZKXPNZ-LLVKDONJSA-N 1 1 324.337 -0.407 20 5 DBBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC001321575512 806642883 /nfs/dbraw/zinc/64/28/83/806642883.db2.gz FTNOLWRVVQBFBI-UHFFFAOYSA-N 1 1 324.341 -0.433 20 5 DBBDMO Cc1[nH]nc(C(=O)N2CC(N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC001321620116 806648054 /nfs/dbraw/zinc/64/80/54/806648054.db2.gz YWODMEOWCZUDOC-UHFFFAOYSA-N 1 1 308.342 -0.302 20 5 DBBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC001323341953 806860133 /nfs/dbraw/zinc/86/01/33/806860133.db2.gz INULEQFFYLVXIW-GHMZBOCLSA-N 1 1 323.353 -0.082 20 5 DBBDMO CC(C)CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323441385 806874604 /nfs/dbraw/zinc/87/46/04/806874604.db2.gz HLAUXMQMSGHJNU-GHMZBOCLSA-N 1 1 312.370 -0.338 20 5 DBBDMO NC(=O)C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000175256451 803823484 /nfs/dbraw/zinc/82/34/84/803823484.db2.gz NKPULUCFRGLLFS-PWSUYJOCSA-N 1 1 311.342 -0.260 20 5 DBBDMO NC(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000175256429 803823649 /nfs/dbraw/zinc/82/36/49/803823649.db2.gz NKPULUCFRGLLFS-ZYHUDNBSSA-N 1 1 311.342 -0.260 20 5 DBBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000761852786 804242513 /nfs/dbraw/zinc/24/25/13/804242513.db2.gz KLOSBOFOKFENAD-UHFFFAOYSA-N 1 1 307.310 -0.331 20 5 DBBDMO C[NH+](C)C1(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001285924230 805001545 /nfs/dbraw/zinc/00/15/45/805001545.db2.gz WAPBFRJQFGPDMA-GHMZBOCLSA-N 1 1 324.381 -0.099 20 5 DBBDMO CN1CC[N@@H+](C)CC(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000907066719 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Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985617539 671514077 /nfs/dbraw/zinc/51/40/77/671514077.db2.gz LQYPKPQMPZIPRL-UHFFFAOYSA-N 1 1 324.341 -0.764 20 5 DBBDMO CC(C)(C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC000997372170 678451045 /nfs/dbraw/zinc/45/10/45/678451045.db2.gz DCFQNYJOAQSKSZ-VXGBXAGGSA-N 1 1 324.381 -0.147 20 5 DBBDMO Cn1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997768937 678509107 /nfs/dbraw/zinc/50/91/07/678509107.db2.gz KZHSQIFJXSSDAG-GHMZBOCLSA-N 1 1 323.357 -0.797 20 5 DBBDMO O=C(NCC1=CC[N@@H+](CCn2cncn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675064 678865756 /nfs/dbraw/zinc/86/57/56/678865756.db2.gz QQFRJLSKWYBJEN-CHWSQXEVSA-N 1 1 320.353 -0.308 20 5 DBBDMO O=C(NCC1=CC[N@H+](CCn2cncn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675064 678865758 /nfs/dbraw/zinc/86/57/58/678865758.db2.gz QQFRJLSKWYBJEN-CHWSQXEVSA-N 1 1 320.353 -0.308 20 5 DBBDMO O=C(NCC1=CC[N@@H+](CCn2cncn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675064 678865761 /nfs/dbraw/zinc/86/57/61/678865761.db2.gz QQFRJLSKWYBJEN-CHWSQXEVSA-N 1 1 320.353 -0.308 20 5 DBBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000844003177 805641150 /nfs/dbraw/zinc/64/11/50/805641150.db2.gz YGUTWJDNHZBSEU-KGLIPLIRSA-N 1 1 321.333 -0.094 20 5 DBBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000844003177 805641154 /nfs/dbraw/zinc/64/11/54/805641154.db2.gz YGUTWJDNHZBSEU-KGLIPLIRSA-N 1 1 321.333 -0.094 20 5 DBBDMO Cc1c(CC(=O)NC[C@]2(CO)COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC001302504077 805910068 /nfs/dbraw/zinc/91/00/68/805910068.db2.gz OWFWDOVVKWADJJ-HNNXBMFYSA-N 1 1 323.349 -0.087 20 5 DBBDMO COC(=O)c1cnc(N2CC([NH2+]C3COC3)C2)c([N+](=O)[O-])c1 ZINC001307219440 805928975 /nfs/dbraw/zinc/92/89/75/805928975.db2.gz ZEKAQBZWZFFTDG-UHFFFAOYSA-N 1 1 308.294 -0.047 20 5 DBBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000861342898 806265241 /nfs/dbraw/zinc/26/52/41/806265241.db2.gz DXOXGYQZHWXEOG-JOYOIKCWSA-N 1 1 313.314 -0.161 20 5 DBBDMO Cc1n[nH]c(C(=O)NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001318524218 806309040 /nfs/dbraw/zinc/30/90/40/806309040.db2.gz RCNJFIGRMCPPMF-UHFFFAOYSA-N 1 1 310.358 -0.006 20 5 DBBDMO O=C1C[C@]2(CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CN1 ZINC001322285534 806729459 /nfs/dbraw/zinc/72/94/59/806729459.db2.gz CIZBSDANNLTDAO-WCQYABFASA-N 1 1 309.326 -0.636 20 5 DBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001322712632 806770969 /nfs/dbraw/zinc/77/09/69/806770969.db2.gz SDOKVOJATJDROX-LLVKDONJSA-N 1 1 310.358 -0.538 20 5 DBBDMO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000876474846 806783967 /nfs/dbraw/zinc/78/39/67/806783967.db2.gz ILRADJIYNLNWGQ-WZRBSPASSA-N 1 1 301.343 -0.543 20 5 DBBDMO Cc1nn(C)c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC001323341955 806860085 /nfs/dbraw/zinc/86/00/85/806860085.db2.gz INULEQFFYLVXIW-QWRGUYRKSA-N 1 1 323.353 -0.082 20 5 DBBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000749340032 804048483 /nfs/dbraw/zinc/04/84/83/804048483.db2.gz LMNWBGXGUBRICD-UHFFFAOYSA-N 1 1 321.337 -0.144 20 5 DBBDMO O=C(CCC[NH+]1CCCC1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284915018 804796567 /nfs/dbraw/zinc/79/65/67/804796567.db2.gz AHSQGNHSEFNQNM-CHWSQXEVSA-N 1 1 324.381 -0.145 20 5 DBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001325856156 807110659 /nfs/dbraw/zinc/11/06/59/807110659.db2.gz RMTKKDJNBZCJHN-LLVKDONJSA-N 1 1 317.309 -0.246 20 5 DBBDMO C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001333734163 808092330 /nfs/dbraw/zinc/09/23/30/808092330.db2.gz ATSDFRHERQDQQJ-VHSXEESVSA-N 1 1 310.358 -0.308 20 5 DBBDMO CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+](C)CC1 ZINC001334657075 808189243 /nfs/dbraw/zinc/18/92/43/808189243.db2.gz FPDZFZGIGKARRX-UHFFFAOYSA-N 1 1 323.397 -0.064 20 5 DBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001338866493 808569989 /nfs/dbraw/zinc/56/99/89/808569989.db2.gz SGEXKMMPUJLVSL-GFCCVEGCSA-N 1 1 323.353 -0.882 20 5 DBBDMO C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1C[N@@H+](C)CCN1C ZINC001339070635 808578053 /nfs/dbraw/zinc/57/80/53/808578053.db2.gz TYRJRPWLCFNJLL-GXSJLCMTSA-N 1 1 310.358 -0.308 20 5 DBBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001341372483 808681309 /nfs/dbraw/zinc/68/13/09/808681309.db2.gz VPSIWVUERATBNG-LLVKDONJSA-N 1 1 310.358 -0.250 20 5 DBBDMO CN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954660714 809265336 /nfs/dbraw/zinc/26/53/36/809265336.db2.gz FYWLQLYRGMCGMQ-CHWSQXEVSA-N 1 1 324.381 -0.337 20 5 DBBDMO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139353 814312164 /nfs/dbraw/zinc/31/21/64/814312164.db2.gz YUVLOMHUNCNWQM-CNVPUSNMSA-N 1 1 308.342 -0.300 20 5 DBBDMO Cn1nccc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139864 814313443 /nfs/dbraw/zinc/31/34/43/814313443.db2.gz PUABHAPISFCAAM-FPQZTECRSA-N 1 1 307.354 -0.135 20 5 DBBDMO Cn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034643952 814709125 /nfs/dbraw/zinc/70/91/25/814709125.db2.gz VVQCLGFAGIIKCS-FPQZTECRSA-N 1 1 322.369 -0.003 20 5 DBBDMO Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001034643960 814709749 /nfs/dbraw/zinc/70/97/49/814709749.db2.gz VYHDBGXQZVEUEJ-FPQZTECRSA-N 1 1 322.369 -0.003 20 5 DBBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079747024 823959067 /nfs/dbraw/zinc/95/90/67/823959067.db2.gz QUNAMTSEJGAXBG-VXGBXAGGSA-N 1 1 312.370 -0.337 20 5 DBBDMO CCn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082818 825174750 /nfs/dbraw/zinc/17/47/50/825174750.db2.gz FCYNXYGWXPGYBW-LYIQGSDWSA-N 1 1 322.369 -0.052 20 5 DBBDMO Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083192 825175235 /nfs/dbraw/zinc/17/52/35/825175235.db2.gz QLCICMKTXVWAJV-RBLKWDMZSA-N 1 1 308.342 -0.535 20 5 DBBDMO CC(C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001087256716 825322656 /nfs/dbraw/zinc/32/26/56/825322656.db2.gz GVWWNXMPFDCVRH-NXEZZACHSA-N 1 1 309.326 -0.038 20 5 DBBDMO CC(C)[N@@H+](C)CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001093674549 826157442 /nfs/dbraw/zinc/15/74/42/826157442.db2.gz ZZQRPEZMUPVIAA-UHFFFAOYSA-N 1 1 311.346 -0.165 20 5 DBBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC001162247835 833084009 /nfs/dbraw/zinc/08/40/09/833084009.db2.gz BRKVPAFKJOQOPI-NXEZZACHSA-N 1 1 311.342 -0.145 20 5 DBBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC001162247835 833084017 /nfs/dbraw/zinc/08/40/17/833084017.db2.gz BRKVPAFKJOQOPI-NXEZZACHSA-N 1 1 311.342 -0.145 20 5 DBBDMO [NH3+][C@@H]1NCN(c2ccc3cccc([N+](=O)[O-])c3n2)[C@H]2NCN[C@@H]21 ZINC001162440738 833100924 /nfs/dbraw/zinc/10/09/24/833100924.db2.gz UTHFEVNTDLZVMJ-MGPQQGTHSA-N 1 1 315.337 -0.360 20 5 DBBDMO [NH3+][C@@H]1NCN(c2ccc3cccc([N+](=O)[O-])c3n2)[C@@H]2NCN[C@H]21 ZINC001162440739 833101069 /nfs/dbraw/zinc/10/10/69/833101069.db2.gz UTHFEVNTDLZVMJ-MJBXVCDLSA-N 1 1 315.337 -0.360 20 5 DBBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162441467 833102250 /nfs/dbraw/zinc/10/22/50/833102250.db2.gz YDWZRWUVHDSRGD-JEZHCXPESA-N 1 1 313.749 -0.551 20 5 DBBDMO [NH3+][C@@H]1NCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H]2NCN[C@H]21 ZINC001162446561 833105617 /nfs/dbraw/zinc/10/56/17/833105617.db2.gz IYFFBYHEAPUDBE-OUCADQQQSA-N 1 1 315.337 -0.360 20 5 DBBDMO Cc1nnc(CN)n1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163345608 833148290 /nfs/dbraw/zinc/14/82/90/833148290.db2.gz ADSBDWLGBZYEHI-UHFFFAOYSA-N 1 1 319.329 -0.858 20 5 DBBDMO CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276002696 833232991 /nfs/dbraw/zinc/23/29/91/833232991.db2.gz WRKBJILONHILIN-GHMZBOCLSA-N 1 1 300.359 -0.432 20 5 DBBDMO COC(=O)[C@@H]1CNCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001165442337 833247563 /nfs/dbraw/zinc/24/75/63/833247563.db2.gz JUCCEXQDDOZWKE-JTQLQIEISA-N 1 1 322.325 -0.977 20 5 DBBDMO NC(=O)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001166724060 833279236 /nfs/dbraw/zinc/27/92/36/833279236.db2.gz OWAYDZUXZLKAKF-BYPYZUCNSA-N 1 1 321.124 -0.045 20 5 DBBDMO NC(=O)[C@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC001166724470 833279401 /nfs/dbraw/zinc/27/94/01/833279401.db2.gz BJZUVKKRHIZJGQ-LLVKDONJSA-N 1 1 302.294 -0.199 20 5 DBBDMO NC(=O)c1ccnc(N2CC(C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC001118537009 829101541 /nfs/dbraw/zinc/10/15/41/829101541.db2.gz WPCQKUQNOWKJGK-UHFFFAOYSA-N 1 1 321.337 -0.143 20 5 DBBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001171741942 833373808 /nfs/dbraw/zinc/37/38/08/833373808.db2.gz SYUAKSOUUXNDIA-GHMZBOCLSA-N 1 1 312.326 -0.044 20 5 DBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001119455281 829262976 /nfs/dbraw/zinc/26/29/76/829262976.db2.gz USPLRIPFYVZCOV-PWSUYJOCSA-N 1 1 324.385 -0.150 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124084466 829705272 /nfs/dbraw/zinc/70/52/72/829705272.db2.gz NYNVYBAUQWEDDC-UHFFFAOYSA-N 1 1 324.341 -0.940 20 5 DBBDMO Cn1cnc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC001125675539 829870422 /nfs/dbraw/zinc/87/04/22/829870422.db2.gz AWLDCDYSATVUJQ-UHFFFAOYSA-N 1 1 307.314 -0.419 20 5 DBBDMO Cc1c[nH]nc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126852640 829964237 /nfs/dbraw/zinc/96/42/37/829964237.db2.gz UOAKPVJQXIQAGG-UHFFFAOYSA-N 1 1 307.314 -0.121 20 5 DBBDMO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938728 829971438 /nfs/dbraw/zinc/97/14/38/829971438.db2.gz INLTWECIYJTCQS-NXEZZACHSA-N 1 1 307.372 -0.818 20 5 DBBDMO COc1nc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)co1 ZINC001131920692 830561454 /nfs/dbraw/zinc/56/14/54/830561454.db2.gz CKPSEYOLYXCGCF-UHFFFAOYSA-N 1 1 324.297 -0.156 20 5 DBBDMO Cc1n[nH]cc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001132138901 830598477 /nfs/dbraw/zinc/59/84/77/830598477.db2.gz NUEPQBNKHQOPMC-UHFFFAOYSA-N 1 1 307.314 -0.121 20 5 DBBDMO Cc1nn[nH]c1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001132229399 830609752 /nfs/dbraw/zinc/60/97/52/830609752.db2.gz KWXRZGHTOHUUER-UHFFFAOYSA-N 1 1 308.302 -0.726 20 5 DBBDMO CCn1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)nn1 ZINC001135994383 831145032 /nfs/dbraw/zinc/14/50/32/831145032.db2.gz RNDOHMOCJSOEHS-UHFFFAOYSA-N 1 1 322.329 -0.541 20 5 DBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001146376787 831277635 /nfs/dbraw/zinc/27/76/35/831277635.db2.gz MLYGGBAHXBVSGX-KGLIPLIRSA-N 1 1 322.365 -0.010 20 5 DBBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001149759386 831566600 /nfs/dbraw/zinc/56/66/00/831566600.db2.gz OXJKQYXXPBTPAC-UHFFFAOYSA-N 1 1 324.341 -0.826 20 5 DBBDMO Cc1nonc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001153561835 831817043 /nfs/dbraw/zinc/81/70/43/831817043.db2.gz UBHCLHWVLRFAOR-UHFFFAOYSA-N 1 1 309.286 -0.461 20 5 DBBDMO O=C(NCCC[NH2+]Cc1cn(CC2CC2)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767268 832061660 /nfs/dbraw/zinc/06/16/60/832061660.db2.gz KHHDKYXPYRVJAT-CHWSQXEVSA-N 1 1 322.369 -0.051 20 5 DBBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cnccn1 ZINC001157767032 832061684 /nfs/dbraw/zinc/06/16/84/832061684.db2.gz DLGRVIYXJCVNAY-NXEZZACHSA-N 1 1 322.325 -0.824 20 5 DBBDMO COc1nccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157767402 832061749 /nfs/dbraw/zinc/06/17/49/832061749.db2.gz LVZOPMYUUWVAMB-GHMZBOCLSA-N 1 1 309.326 -0.254 20 5 DBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1 ZINC001271854808 832709239 /nfs/dbraw/zinc/70/92/39/832709239.db2.gz VDLZUBPWQCGQHR-YVECIDJPSA-N 1 1 313.354 -0.949 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001271854808 832709242 /nfs/dbraw/zinc/70/92/42/832709242.db2.gz VDLZUBPWQCGQHR-YVECIDJPSA-N 1 1 313.354 -0.949 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1 ZINC001271854808 832709247 /nfs/dbraw/zinc/70/92/47/832709247.db2.gz VDLZUBPWQCGQHR-YVECIDJPSA-N 1 1 313.354 -0.949 20 5 DBBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH2+][C@H](C(N)=O)C1 ZINC001184710594 833768130 /nfs/dbraw/zinc/76/81/30/833768130.db2.gz LLHRROODUKVSDD-YFKPBYRVSA-N 1 1 322.247 -0.389 20 5 DBBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC001184710585 833768275 /nfs/dbraw/zinc/76/82/75/833768275.db2.gz LLHRROODUKVSDD-RXMQYKEDSA-N 1 1 322.247 -0.389 20 5 DBBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001261246878 834772445 /nfs/dbraw/zinc/77/24/45/834772445.db2.gz DDNONFAHTQXHFU-MNOVXSKESA-N 1 1 306.322 -0.081 20 5 DBBDMO NC(=O)Cn1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC001200127688 835096434 /nfs/dbraw/zinc/09/64/34/835096434.db2.gz YKZCCESHKOQPHG-UHFFFAOYSA-N 1 1 320.309 -0.160 20 5 DBBDMO O=C(NCCN1CC[NH+](CCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001265258321 835117634 /nfs/dbraw/zinc/11/76/34/835117634.db2.gz GAJAHCGCBMYDFH-VXGBXAGGSA-N 1 1 302.350 -0.255 20 5 DBBDMO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200461757 835130736 /nfs/dbraw/zinc/13/07/36/835130736.db2.gz IOXRCVMXGPEIEL-VXGBXAGGSA-N 1 1 312.370 -0.290 20 5 DBBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CC1 ZINC001200462338 835131067 /nfs/dbraw/zinc/13/10/67/835131067.db2.gz XBONENWOEIWXEZ-VXGBXAGGSA-N 1 1 310.354 -0.489 20 5 DBBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001528038121 1014340834 /nfs/dbraw/zinc/34/08/34/1014340834.db2.gz UUDVNNSHYCEMSD-CMPLNLGQSA-N 1 1 308.342 -0.704 20 5 DBBDMO CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001354094496 980833375 /nfs/dbraw/zinc/83/33/75/980833375.db2.gz AEYPZAYGPLMUOY-DIACKHNESA-N 1 1 324.381 -0.434 20 5 DBBDMO C[N@@H+](CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1 ZINC001530799669 1014800352 /nfs/dbraw/zinc/80/03/52/1014800352.db2.gz OCAXLSWHFMOBLS-CHWSQXEVSA-N 1 1 324.381 -0.290 20 5 DBBDMO C[N@H+](CC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC001530799669 1014800355 /nfs/dbraw/zinc/80/03/55/1014800355.db2.gz OCAXLSWHFMOBLS-CHWSQXEVSA-N 1 1 324.381 -0.290 20 5 DBBDMO C[N@@H+](CC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC001530799669 1014800360 /nfs/dbraw/zinc/80/03/60/1014800360.db2.gz OCAXLSWHFMOBLS-CHWSQXEVSA-N 1 1 324.381 -0.290 20 5 DBBDMO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001530900892 1014815018 /nfs/dbraw/zinc/81/50/18/1014815018.db2.gz YQKPEXCDVGLGIO-VXGBXAGGSA-N 1 1 312.370 -0.432 20 5 DBBDMO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001530900892 1014815020 /nfs/dbraw/zinc/81/50/20/1014815020.db2.gz YQKPEXCDVGLGIO-VXGBXAGGSA-N 1 1 312.370 -0.432 20 5 DBBDMO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001530900892 1014815021 /nfs/dbraw/zinc/81/50/21/1014815021.db2.gz YQKPEXCDVGLGIO-VXGBXAGGSA-N 1 1 312.370 -0.432 20 5 DBBDMO CC(C)(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001491017305 1015194350 /nfs/dbraw/zinc/19/43/50/1015194350.db2.gz GOKFZQSSWXGOCM-LMLFDSFASA-N 1 1 312.370 -0.197 20 5 DBBDMO NC(=O)[C@@H]1CN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001592724492 1016767638 /nfs/dbraw/zinc/76/76/38/1016767638.db2.gz SKDMZBUDOQZWGY-QMMMGPOBSA-N 1 1 318.297 -0.962 20 5 DBBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NCC[N@@H+]1CC[C@H](O)C1 ZINC001593471874 1016896531 /nfs/dbraw/zinc/89/65/31/1016896531.db2.gz VQZIVNKISKNUJO-VIFPVBQESA-N 1 1 320.313 -0.352 20 5 DBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001442799623 1007665398 /nfs/dbraw/zinc/66/53/98/1007665398.db2.gz FYAYJQYEFXVGEH-MWLCHTKSSA-N 1 1 309.326 -0.011 20 5 DBBDMO C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC001460471251 1009092294 /nfs/dbraw/zinc/09/22/94/1009092294.db2.gz MJRANLPLGNGCIQ-LBPRGKRZSA-N 1 1 308.338 -0.198 20 5 DBBDMO C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC001460471251 1009092304 /nfs/dbraw/zinc/09/23/04/1009092304.db2.gz MJRANLPLGNGCIQ-LBPRGKRZSA-N 1 1 308.338 -0.198 20 5 DBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001465079303 1009362928 /nfs/dbraw/zinc/36/29/28/1009362928.db2.gz DDTRWYOBIHRWGQ-JTQLQIEISA-N 1 1 308.342 -0.452 20 5 DBBDMO CN(CC[N@@H+](C)CCO)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001470573001 1009762998 /nfs/dbraw/zinc/76/29/98/1009762998.db2.gz XMFSBYHZHRHJIX-UHFFFAOYSA-N 1 1 313.358 -0.091 20 5 DBBDMO Cn1nncc1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001481896516 1011023342 /nfs/dbraw/zinc/02/33/42/1011023342.db2.gz SVUGNBHGDJZVFB-VXGBXAGGSA-N 1 1 322.369 -0.001 20 5 DBBDMO CNC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001481998337 1011036800 /nfs/dbraw/zinc/03/68/00/1011036800.db2.gz SKPWIWBAELIIGQ-VXGBXAGGSA-N 1 1 312.370 -0.384 20 5 DBBDMO CN(CC[N@@H+](C)CCO)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001454172639 1011882204 /nfs/dbraw/zinc/88/22/04/1011882204.db2.gz VJGWYFOSOSXHTJ-UHFFFAOYSA-N 1 1 312.326 -0.861 20 5 DBBDMO CN(C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001499222012 1018034193 /nfs/dbraw/zinc/03/41/93/1018034193.db2.gz WTJNNACKCPOZGW-GHMZBOCLSA-N 1 1 310.354 -0.489 20 5 DBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001603335982 1018167626 /nfs/dbraw/zinc/16/76/26/1018167626.db2.gz JPTGKOVIHYRAND-QWRGUYRKSA-N 1 1 324.341 -0.756 20 5 DBBDMO C[N@H+]1CC[C@](O)(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001604856201 1018465809 /nfs/dbraw/zinc/46/58/09/1018465809.db2.gz VWTXNASWBDIRCP-LBPRGKRZSA-N 1 1 320.313 -0.352 20 5 DBBDMO C[N@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001604855811 1018466282 /nfs/dbraw/zinc/46/62/82/1018466282.db2.gz NYOVNWIZRNNDMZ-LBPRGKRZSA-N 1 1 320.313 -0.352 20 5 DBBDMO CC[NH+](CC)CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001501147059 1018584705 /nfs/dbraw/zinc/58/47/05/1018584705.db2.gz ZXFATXBPGWCBEY-VXGBXAGGSA-N 1 1 314.386 -0.090 20 5 DBBDMO C[N@@H+](CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 ZINC001501852733 1018887120 /nfs/dbraw/zinc/88/71/20/1018887120.db2.gz UVHNGRCRKHTEGJ-XCUNLHGCSA-N 1 1 324.381 -0.076 20 5 DBBDMO C[N@H+](CC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC001501852733 1018887125 /nfs/dbraw/zinc/88/71/25/1018887125.db2.gz UVHNGRCRKHTEGJ-XCUNLHGCSA-N 1 1 324.381 -0.076 20 5 DBBDMO C[N@@H+](CC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC001501852733 1018887127 /nfs/dbraw/zinc/88/71/27/1018887127.db2.gz UVHNGRCRKHTEGJ-XCUNLHGCSA-N 1 1 324.381 -0.076 20 5 DBBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@@H](O)C2)c(-c2nn[nH]n2)c1 ZINC001607087001 1018948161 /nfs/dbraw/zinc/94/81/61/1018948161.db2.gz XDCLHFDBGPYWGW-SECBINFHSA-N 1 1 320.313 -0.352 20 5 DBBDMO C[NH+]1CCN(C(=O)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001607897037 1019045106 /nfs/dbraw/zinc/04/51/06/1019045106.db2.gz NSEZEYKZDBRJQL-UHFFFAOYSA-N 1 1 322.325 -0.924 20 5 DBBDMO CN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001502779088 1019174120 /nfs/dbraw/zinc/17/41/20/1019174120.db2.gz MHHUXGXGYANUGB-GHMZBOCLSA-N 1 1 312.370 -0.290 20 5 DBBDMO C[C@H](O)C[N@H+](CCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609129729 1019352816 /nfs/dbraw/zinc/35/28/16/1019352816.db2.gz YORCDBFGMWCSQI-VIFPVBQESA-N 1 1 322.325 -0.050 20 5 DBBDMO C[C@H](O)C[N@@H+](CCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609129729 1019352828 /nfs/dbraw/zinc/35/28/28/1019352828.db2.gz YORCDBFGMWCSQI-VIFPVBQESA-N 1 1 322.325 -0.050 20 5 DBBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001609600083 1019529817 /nfs/dbraw/zinc/52/98/17/1019529817.db2.gz PCKMYABMQYNUIS-ZYHUDNBSSA-N 1 1 320.309 -0.440 20 5 DBBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001609600083 1019529825 /nfs/dbraw/zinc/52/98/25/1019529825.db2.gz PCKMYABMQYNUIS-ZYHUDNBSSA-N 1 1 320.309 -0.440 20 5 DBBDMO CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001581082350 1020823047 /nfs/dbraw/zinc/82/30/47/1020823047.db2.gz KEKGCWKEQHIZPF-VXGBXAGGSA-N 1 1 324.381 -0.288 20 5 DBBDMO C[NH+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001591016491 1021637665 /nfs/dbraw/zinc/63/76/65/1021637665.db2.gz ZPMKSOLYQSAVBZ-UHFFFAOYSA-N 1 1 323.317 -0.961 20 5 DBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001558702677 1023969125 /nfs/dbraw/zinc/96/91/25/1023969125.db2.gz VZIUTOMPIPTFGU-ZJUUUORDSA-N 1 1 309.326 -0.011 20 5 DBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCN3CCOC[C@@]3(CO)C2)c1 ZINC001560178250 1024002466 /nfs/dbraw/zinc/00/24/66/1024002466.db2.gz RSPXBSYRBVSSRW-ZDUSSCGKSA-N 1 1 311.342 -0.830 20 5 DBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCN3CCOC[C@@]3(CO)C2)c1 ZINC001560178250 1024002485 /nfs/dbraw/zinc/00/24/85/1024002485.db2.gz RSPXBSYRBVSSRW-ZDUSSCGKSA-N 1 1 311.342 -0.830 20 5 DBBDMO O=C1NCC[C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]12 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375451275 /nfs/dbraw/zinc/45/12/75/375451275.db2.gz NKWBFMPLOGLZCE-UHFFFAOYSA-N 1 1 300.340 -0.006 20 5 DBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452389791 375532982 /nfs/dbraw/zinc/53/29/82/375532982.db2.gz MSUWABPIPNTCFG-NSHDSACASA-N 1 1 311.342 -0.246 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000566121726 375535436 /nfs/dbraw/zinc/53/54/36/375535436.db2.gz NULSBGFYUUZERF-SNVBAGLBSA-N 1 1 307.314 -0.063 20 5 DBBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590355366 375528197 /nfs/dbraw/zinc/52/81/97/375528197.db2.gz SWZPDVXOHIYSKV-LLVKDONJSA-N 1 1 321.337 -0.185 20 5 DBBDMO CC[N@@H+](CCO)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000187373874 375584486 /nfs/dbraw/zinc/58/44/86/375584486.db2.gz VTQPWAFQDCDYHO-UHFFFAOYSA-N 1 1 314.346 -0.595 20 5 DBBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594603714 375938033 /nfs/dbraw/zinc/93/80/33/375938033.db2.gz LXNNGUPINXMOTO-VHSXEESVSA-N 1 1 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NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035187272 814864266 /nfs/dbraw/zinc/86/42/66/814864266.db2.gz SSLQNERPCQCFLJ-GHMZBOCLSA-N 1 1 310.354 -0.549 20 5 DBBDMO O=C(C[NH+]1CCCC1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062988914 819570251 /nfs/dbraw/zinc/57/02/51/819570251.db2.gz GRYLLVYIUPMOCO-VXGBXAGGSA-N 1 1 324.381 -0.098 20 5 DBBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001067388808 820088791 /nfs/dbraw/zinc/08/87/91/820088791.db2.gz LWJYXWLUYIRBHX-VXGBXAGGSA-N 1 1 314.386 -0.090 20 5 DBBDMO [NH3+][C@@H]1NCN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H]2NCN[C@@H]21 ZINC001162436878 833094615 /nfs/dbraw/zinc/09/46/15/833094615.db2.gz QJEMBHPZDRYFOB-UPJWGTAASA-N 1 1 316.325 -0.965 20 5 DBBDMO [NH3+][C@@H]1NCN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@H]2NCN[C@@H]21 ZINC001162436910 833093916 /nfs/dbraw/zinc/09/39/16/833093916.db2.gz QRRIPMTZMCKGGP-JHJVBQTASA-N 1 1 316.325 -0.965 20 5 DBBDMO [NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])c3ccccc32)[C@H]2NCN[C@H]21 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Cc1cc(CC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC001125542465 829862831 /nfs/dbraw/zinc/86/28/31/829862831.db2.gz NHNCIXUWHHLDLV-UHFFFAOYSA-N 1 1 321.341 -0.192 20 5 DBBDMO Cc1cc(CC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)[nH]n1 ZINC001125542465 829862839 /nfs/dbraw/zinc/86/28/39/829862839.db2.gz NHNCIXUWHHLDLV-UHFFFAOYSA-N 1 1 321.341 -0.192 20 5 DBBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)ncn1 ZINC001125761093 829877357 /nfs/dbraw/zinc/87/73/57/829877357.db2.gz DVOYFWCGBKKBLI-UHFFFAOYSA-N 1 1 319.325 -0.054 20 5 DBBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cnn1 ZINC001126251443 829916391 /nfs/dbraw/zinc/91/63/91/829916391.db2.gz ZEKRQURNLLIJCA-UHFFFAOYSA-N 1 1 319.325 -0.054 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126270482 829918382 /nfs/dbraw/zinc/91/83/82/829918382.db2.gz OMVKFGFWBTZREF-UHFFFAOYSA-N 1 1 322.329 -0.784 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCc1ncc[nH]1 ZINC001126437280 829934659 /nfs/dbraw/zinc/93/46/59/829934659.db2.gz XSMVGCZAAFATQK-UHFFFAOYSA-N 1 1 321.341 -0.110 20 5 DBBDMO CCn1nncc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126726473 829958865 /nfs/dbraw/zinc/95/88/65/829958865.db2.gz ARZPDMUIMUTTOU-UHFFFAOYSA-N 1 1 322.329 -0.541 20 5 DBBDMO CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936290 829970433 /nfs/dbraw/zinc/97/04/33/829970433.db2.gz FLCLWVXASOUIES-NXEZZACHSA-N 1 1 300.359 -0.338 20 5 DBBDMO NC(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126936458 829971514 /nfs/dbraw/zinc/97/15/14/829971514.db2.gz JBUAPURZFYPQHS-VXGBXAGGSA-N 1 1 306.322 -0.344 20 5 DBBDMO CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943684 829971966 /nfs/dbraw/zinc/97/19/66/829971966.db2.gz SUNABAAODOLNKL-GHMZBOCLSA-N 1 1 300.359 -0.338 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130077156 830260044 /nfs/dbraw/zinc/26/00/44/830260044.db2.gz SWFMEPBCYMXESX-UHFFFAOYSA-N 1 1 321.297 -0.657 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134406914 830934902 /nfs/dbraw/zinc/93/49/02/830934902.db2.gz HXBUONBAHBMYNG-UHFFFAOYSA-N 1 1 307.314 -0.500 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cccnn1 ZINC001135641137 831099531 /nfs/dbraw/zinc/09/95/31/831099531.db2.gz MZPCWPJTPVXAGY-UHFFFAOYSA-N 1 1 305.298 -0.362 20 5 DBBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001149359993 831524859 /nfs/dbraw/zinc/52/48/59/831524859.db2.gz MKAGVNZQPKVFCM-NSHDSACASA-N 1 1 311.342 -0.375 20 5 DBBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001149359993 831524864 /nfs/dbraw/zinc/52/48/64/831524864.db2.gz MKAGVNZQPKVFCM-NSHDSACASA-N 1 1 311.342 -0.375 20 5 DBBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001151818240 831713102 /nfs/dbraw/zinc/71/31/02/831713102.db2.gz YTQUNWGSUNVDGT-ZDUSSCGKSA-N 1 1 310.310 -0.742 20 5 DBBDMO CC(C)[N@@H+](C)CC(=O)NCCNCc1c([N+](=O)[O-])ncn1C ZINC001152439590 831750253 /nfs/dbraw/zinc/75/02/53/831750253.db2.gz OKNDFBQKOXRHSO-UHFFFAOYSA-N 1 1 312.374 -0.126 20 5 DBBDMO CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157761728 832062145 /nfs/dbraw/zinc/06/21/45/832062145.db2.gz ZMUDVOGJQCEYDO-NXEZZACHSA-N 1 1 300.359 -0.338 20 5 DBBDMO CN1CC(CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001159217643 832167116 /nfs/dbraw/zinc/16/71/16/832167116.db2.gz FMZCKHYEUIYJKD-UHFFFAOYSA-N 1 1 307.358 -0.232 20 5 DBBDMO Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001159301823 832804501 /nfs/dbraw/zinc/80/45/01/832804501.db2.gz NQCROHYEKRPIPB-UHFFFAOYSA-N 1 1 319.325 -0.227 20 5 DBBDMO COC[C@@]1(CO)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001194410688 834596500 /nfs/dbraw/zinc/59/65/00/834596500.db2.gz VSEBTRBCPVKTTB-OLZOCXBDSA-N 1 1 314.342 -0.517 20 5 DBBDMO [NH3+][C@@H]1NCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2NCN[C@H]21 ZINC001254589592 834601213 /nfs/dbraw/zinc/60/12/13/834601213.db2.gz PODRTLLTQPWYMN-XJFOESAGSA-N 1 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O=C(NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001266900832 835404210 /nfs/dbraw/zinc/40/42/10/835404210.db2.gz JXFPLPORBBJSIZ-LBELIVKGSA-N 1 1 322.365 -0.776 20 5 DBBDMO CN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371352 835495506 /nfs/dbraw/zinc/49/55/06/835495506.db2.gz KNXKWFUIXUNSLW-VXGBXAGGSA-N 1 1 308.338 -0.402 20 5 DBBDMO C[N@H+]1CCC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1 ZINC001224797285 979583922 /nfs/dbraw/zinc/58/39/22/979583922.db2.gz NIOGMIJYAOBKAN-SECBINFHSA-N 1 1 302.287 -0.811 20 5 DBBDMO NC(=O)c1ccnc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC001327281350 979803491 /nfs/dbraw/zinc/80/34/91/979803491.db2.gz AVMPYQBZFDRHSJ-SECBINFHSA-N 1 1 307.310 -0.656 20 5 DBBDMO NC(=O)c1ccnc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC001327281350 979803496 /nfs/dbraw/zinc/80/34/96/979803496.db2.gz AVMPYQBZFDRHSJ-SECBINFHSA-N 1 1 307.310 -0.656 20 5 DBBDMO 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832119787 /nfs/dbraw/zinc/11/97/87/832119787.db2.gz XHAVOOLPMFULMG-CHWSQXEVSA-N 1 1 323.353 -0.151 20 5 DBBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001158784833 832136477 /nfs/dbraw/zinc/13/64/77/832136477.db2.gz XOHLZXFPEGZEJZ-MNOVXSKESA-N 1 1 306.322 -0.081 20 5 DBBDMO O=C(NCCCCCC[NH2+]CCOCCO)[C@@H]1CC1[N+](=O)[O-] ZINC001178463474 833508275 /nfs/dbraw/zinc/50/82/75/833508275.db2.gz DKMMHDUJRFYZML-CHWSQXEVSA-N 1 1 317.386 -0.073 20 5 DBBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001251748730 834504755 /nfs/dbraw/zinc/50/47/55/834504755.db2.gz GEFYSODHIKERJW-LBPRGKRZSA-N 1 1 324.385 -0.148 20 5 DBBDMO CS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001256603404 834632613 /nfs/dbraw/zinc/63/26/13/834632613.db2.gz JGGSOQBMUOJQRB-GHMZBOCLSA-N 1 1 318.355 -0.729 20 5 DBBDMO CS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001256603404 834632615 /nfs/dbraw/zinc/63/26/15/834632615.db2.gz 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536494563 /nfs/dbraw/zinc/49/45/63/536494563.db2.gz WXCNFHRMKMDTBE-GFCCVEGCSA-N 1 1 302.331 -0.253 20 5 DBBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261767799 527471624 /nfs/dbraw/zinc/47/16/24/527471624.db2.gz QZCQFGWCOLWCIS-LLVKDONJSA-N 1 1 319.325 -0.302 20 5 DBBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH2+][C@H](C(N)=O)C1 ZINC000286300755 536587644 /nfs/dbraw/zinc/58/76/44/536587644.db2.gz YGPKUAPYRADMGP-JTQLQIEISA-N 1 1 322.321 -0.047 20 5 DBBDMO C[N@H+](CC(=O)N1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610367110 664051444 /nfs/dbraw/zinc/05/14/44/664051444.db2.gz FFIJLRONOKXVKN-LBPRGKRZSA-N 1 1 311.342 -0.294 20 5 DBBDMO CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000991285225 674647130 /nfs/dbraw/zinc/64/71/30/674647130.db2.gz BHFHIKGSUURYNC-VXGBXAGGSA-N 1 1 324.381 -0.290 20 5 DBBDMO CC1(C)CC[N@H+](CC(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000991285225 674647135 /nfs/dbraw/zinc/64/71/35/674647135.db2.gz BHFHIKGSUURYNC-VXGBXAGGSA-N 1 1 324.381 -0.290 20 5 DBBDMO CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000991285225 674647143 /nfs/dbraw/zinc/64/71/43/674647143.db2.gz BHFHIKGSUURYNC-VXGBXAGGSA-N 1 1 324.381 -0.290 20 5 DBBDMO O=C(NC1CN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991293605 674660510 /nfs/dbraw/zinc/66/05/10/674660510.db2.gz CCEUTRVWMKACJJ-VXGBXAGGSA-N 1 1 322.365 -0.393 20 5 DBBDMO O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991299875 674672344 /nfs/dbraw/zinc/67/23/44/674672344.db2.gz YMCSVBMVNQQLHI-GHMZBOCLSA-N 1 1 308.338 -0.926 20 5 DBBDMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001025775237 665085153 /nfs/dbraw/zinc/08/51/53/665085153.db2.gz HARBXAZUDUZOHC-LBELIVKGSA-N 1 1 305.338 -0.368 20 5 DBBDMO Cn1cnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983648434 671223611 /nfs/dbraw/zinc/22/36/11/671223611.db2.gz IYVOUGHMOITPOB-GWOFURMSSA-N 1 1 308.342 -0.535 20 5 DBBDMO Cc1n[nH]c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000262051557 671223767 /nfs/dbraw/zinc/22/37/67/671223767.db2.gz MQQYYYQLKWCMRA-SNVBAGLBSA-N 1 1 308.342 -0.254 20 5 DBBDMO CCn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983652222 671227214 /nfs/dbraw/zinc/22/72/14/671227214.db2.gz ADHQTXDHQMCVPV-DDHJBXDOSA-N 1 1 322.369 -0.052 20 5 DBBDMO CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983655118 671228974 /nfs/dbraw/zinc/22/89/74/671228974.db2.gz PYXSUMWPRXKBEG-FPQZTECRSA-N 1 1 322.369 -0.052 20 5 DBBDMO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCN1C ZINC000896570613 671412378 /nfs/dbraw/zinc/41/23/78/671412378.db2.gz CXRVRGZYXQOQIM-PWSUYJOCSA-N 1 1 310.358 -0.458 20 5 DBBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCN1C ZINC000896569597 671413402 /nfs/dbraw/zinc/41/34/02/671413402.db2.gz UWZKUTZVHRAURU-DGCLKSJQSA-N 1 1 324.385 -0.068 20 5 DBBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896569597 671413417 /nfs/dbraw/zinc/41/34/17/671413417.db2.gz UWZKUTZVHRAURU-DGCLKSJQSA-N 1 1 324.385 -0.068 20 5 DBBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CN(C)CC[N@H+]1C ZINC000896569597 671413425 /nfs/dbraw/zinc/41/34/25/671413425.db2.gz UWZKUTZVHRAURU-DGCLKSJQSA-N 1 1 324.385 -0.068 20 5 DBBDMO Cn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429189 678247298 /nfs/dbraw/zinc/24/72/98/678247298.db2.gz LLXMKYPXJRIWRG-GHMZBOCLSA-N 1 1 308.342 -0.439 20 5 DBBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCC1 ZINC000996429206 678247566 /nfs/dbraw/zinc/24/75/66/678247566.db2.gz LXOJLNKLZDFAMT-CHWSQXEVSA-N 1 1 324.381 -0.145 20 5 DBBDMO O=C(NC1CC[NH+](CCn2cncn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789254 679001563 /nfs/dbraw/zinc/00/15/63/679001563.db2.gz TZAKSHRAXVSYGR-VXGBXAGGSA-N 1 1 308.342 -0.476 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CCCOCC1 ZINC001296677254 805646996 /nfs/dbraw/zinc/64/69/96/805646996.db2.gz LKIUXMXVMPDHCG-UHFFFAOYSA-N 1 1 311.342 -0.062 20 5 DBBDMO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001297047671 805666355 /nfs/dbraw/zinc/66/63/55/805666355.db2.gz TUCKRMYXATVCFR-VXGBXAGGSA-N 1 1 312.370 -0.290 20 5 DBBDMO CCC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297047671 805666360 /nfs/dbraw/zinc/66/63/60/805666360.db2.gz TUCKRMYXATVCFR-VXGBXAGGSA-N 1 1 312.370 -0.290 20 5 DBBDMO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297047671 805666365 /nfs/dbraw/zinc/66/63/65/805666365.db2.gz TUCKRMYXATVCFR-VXGBXAGGSA-N 1 1 312.370 -0.290 20 5 DBBDMO Cc1cccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1[N+](=O)[O-] ZINC001302503327 805910757 /nfs/dbraw/zinc/91/07/57/805910757.db2.gz GTZXCBDVRPHSSQ-CQSZACIVSA-N 1 1 309.322 -0.016 20 5 DBBDMO CC(C)NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316823365 805995338 /nfs/dbraw/zinc/99/53/38/805995338.db2.gz IWFFDQQTYXVXFF-GHMZBOCLSA-N 1 1 300.359 -0.386 20 5 DBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001318164676 806269164 /nfs/dbraw/zinc/26/91/64/806269164.db2.gz LWTDLCNMOQGDOQ-ZJUUUORDSA-N 1 1 310.314 -0.834 20 5 DBBDMO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863317084 806352536 /nfs/dbraw/zinc/35/25/36/806352536.db2.gz JHBDYWBORGCNJP-OLZOCXBDSA-N 1 1 309.322 -0.189 20 5 DBBDMO CCN(CC[NH2+]Cc1cnnn1CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320733839 806522888 /nfs/dbraw/zinc/52/28/88/806522888.db2.gz BZDUZGCPCLDDPA-VXGBXAGGSA-N 1 1 310.358 -0.099 20 5 DBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001323237758 806840834 /nfs/dbraw/zinc/84/08/34/806840834.db2.gz IDMKKDGYOJMYEA-VHSXEESVSA-N 1 1 309.326 -0.079 20 5 DBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001323237759 806841246 /nfs/dbraw/zinc/84/12/46/806841246.db2.gz IDMKKDGYOJMYEA-ZJUUUORDSA-N 1 1 309.326 -0.079 20 5 DBBDMO Cc1nn(C)c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC001323341956 806860490 /nfs/dbraw/zinc/86/04/90/806860490.db2.gz INULEQFFYLVXIW-WDEREUQCSA-N 1 1 323.353 -0.082 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC001324195927 806951056 /nfs/dbraw/zinc/95/10/56/806951056.db2.gz RTHZZHUPENVYBW-JQWIXIFHSA-N 1 1 307.314 -0.309 20 5 DBBDMO Cc1cccnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001279712162 803913286 /nfs/dbraw/zinc/91/32/86/803913286.db2.gz YECPSQJTYQIPAG-TZMCWYRMSA-N 1 1 322.365 -0.034 20 5 DBBDMO O=C(NCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC001283040615 804393591 /nfs/dbraw/zinc/39/35/91/804393591.db2.gz DETLVAQKRWZBPZ-OJAKKHQRSA-N 1 1 324.381 -0.338 20 5 DBBDMO C[N@H+](CCOCCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001283408288 804502078 /nfs/dbraw/zinc/50/20/78/804502078.db2.gz ONEMPDHIVMUYJJ-UHFFFAOYSA-N 1 1 324.337 -0.355 20 5 DBBDMO C[N@@H+](CCOCCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001283408288 804502081 /nfs/dbraw/zinc/50/20/81/804502081.db2.gz ONEMPDHIVMUYJJ-UHFFFAOYSA-N 1 1 324.337 -0.355 20 5 DBBDMO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001284053128 804631846 /nfs/dbraw/zinc/63/18/46/804631846.db2.gz UJEZPQPWNPKRKH-DDHJBXDOSA-N 1 1 324.381 -0.243 20 5 DBBDMO C[NH+](C)C1(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC001284972921 804814027 /nfs/dbraw/zinc/81/40/27/804814027.db2.gz GWEVXMYKGKOUOK-VXGBXAGGSA-N 1 1 324.381 -0.290 20 5 DBBDMO CCC[N@@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001285946206 805006652 /nfs/dbraw/zinc/00/66/52/805006652.db2.gz KOMPEDDPCRJJIM-GHMZBOCLSA-N 1 1 312.370 -0.242 20 5 DBBDMO CCC[N@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285946206 805006662 /nfs/dbraw/zinc/00/66/62/805006662.db2.gz KOMPEDDPCRJJIM-GHMZBOCLSA-N 1 1 312.370 -0.242 20 5 DBBDMO CCC[N@@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285946206 805006671 /nfs/dbraw/zinc/00/66/71/805006671.db2.gz KOMPEDDPCRJJIM-GHMZBOCLSA-N 1 1 312.370 -0.242 20 5 DBBDMO C[NH2+][C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1cnn(C)c1 ZINC001326597393 807197933 /nfs/dbraw/zinc/19/79/33/807197933.db2.gz BTUCPHDSSDSFFQ-LLVKDONJSA-N 1 1 307.314 -0.398 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nnnn2C2CC2)c1 ZINC001329139696 807527772 /nfs/dbraw/zinc/52/77/72/807527772.db2.gz DCLQLWXVSOCTTJ-SNVBAGLBSA-N 1 1 308.302 -0.737 20 5 DBBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCNCC[NH2+]CC2)c1 ZINC000923460357 807671220 /nfs/dbraw/zinc/67/12/20/807671220.db2.gz MQSPJWDLGRQAGF-CQSZACIVSA-N 1 1 324.381 -0.171 20 5 DBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001331280265 807786280 /nfs/dbraw/zinc/78/62/80/807786280.db2.gz RAHUDFXVVGUXBT-CYBMUJFWSA-N 1 1 323.353 -0.151 20 5 DBBDMO COCC[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001338152430 808520923 /nfs/dbraw/zinc/52/09/23/808520923.db2.gz GPBODBQUFPXNAP-UHFFFAOYSA-N 1 1 312.374 -0.207 20 5 DBBDMO C[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001011114347 812845955 /nfs/dbraw/zinc/84/59/55/812845955.db2.gz LEYYFLRFGPAGHW-CHWSQXEVSA-N 1 1 324.381 -0.336 20 5 DBBDMO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCCC1 ZINC001020138854 814311747 /nfs/dbraw/zinc/31/17/47/814311747.db2.gz DYVRRWQEGMYMPI-FDYHWXHSSA-N 1 1 324.381 -0.099 20 5 DBBDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001020139036 814311825 /nfs/dbraw/zinc/31/18/25/814311825.db2.gz NVBKAIMJPLAADE-DDHJBXDOSA-N 1 1 321.337 -0.113 20 5 DBBDMO CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050517044 817724621 /nfs/dbraw/zinc/72/46/21/817724621.db2.gz NNBYQKXFSMBAOG-GHMZBOCLSA-N 1 1 310.354 -0.678 20 5 DBBDMO O=C(NCc1nc(C[NH2+]CC2CC2)cc(=O)[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001087256673 825322410 /nfs/dbraw/zinc/32/24/10/825322410.db2.gz FKJCRYNBOCIRAA-GHMZBOCLSA-N 1 1 321.337 -0.037 20 5 DBBDMO CC(=O)NCCC[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001096243081 826364628 /nfs/dbraw/zinc/36/46/28/826364628.db2.gz NNOVZCQKZCIBEH-UHFFFAOYSA-N 1 1 323.357 -0.385 20 5 DBBDMO CS(=O)(=O)N(CC[NH3+])c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162129048 833076499 /nfs/dbraw/zinc/07/64/99/833076499.db2.gz QVAVRSXFMYDMHK-UHFFFAOYSA-N 1 1 300.340 -0.077 20 5 DBBDMO Cc1cc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1[N+](=O)[O-] ZINC001162440452 833100531 /nfs/dbraw/zinc/10/05/31/833100531.db2.gz RMFNABPSWBZOTM-FKTZTGRPSA-N 1 1 313.749 -0.551 20 5 DBBDMO Cc1cc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1[N+](=O)[O-] ZINC001162440453 833100609 /nfs/dbraw/zinc/10/06/09/833100609.db2.gz RMFNABPSWBZOTM-HGNGGELXSA-N 1 1 313.749 -0.551 20 5 DBBDMO [NH3+][C@@H]1NCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H]2NCN[C@@H]21 ZINC001162444854 833104820 /nfs/dbraw/zinc/10/48/20/833104820.db2.gz QUCAQILKCNRFFD-BZPMIXESSA-N 1 1 315.337 -0.360 20 5 DBBDMO CC(C)Oc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccc1[N+](=O)[O-] ZINC001162449213 833107423 /nfs/dbraw/zinc/10/74/23/833107423.db2.gz UHBYRRRGPDPACL-GRYCIOLGSA-N 1 1 323.357 -0.726 20 5 DBBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001163826757 833172027 /nfs/dbraw/zinc/17/20/27/833172027.db2.gz YKUSDAMFCSQAMD-UHFFFAOYSA-N 1 1 309.326 -0.094 20 5 DBBDMO NC(=O)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC001166724471 833279548 /nfs/dbraw/zinc/27/95/48/833279548.db2.gz BJZUVKKRHIZJGQ-NSHDSACASA-N 1 1 302.294 -0.199 20 5 DBBDMO COC(=O)c1cc([N+](=O)[O-])cc(-n2cnc(C[NH3+])cc2=N)n1 ZINC001167351180 833295837 /nfs/dbraw/zinc/29/58/37/833295837.db2.gz GSAMIBKYBLCBPD-UHFFFAOYSA-N 1 1 304.266 -0.100 20 5 DBBDMO Cc1ncc(CN)c(=N)n1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001167673172 833306184 /nfs/dbraw/zinc/30/61/84/833306184.db2.gz NTMFJGNVQRVMSY-UHFFFAOYSA-N 1 1 316.325 -0.496 20 5 DBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC001118738121 829127611 /nfs/dbraw/zinc/12/76/11/829127611.db2.gz QYTVCCZLWXNAOG-NSHDSACASA-N 1 1 323.353 -0.001 20 5 DBBDMO NS(=O)(=O)NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001118846618 829140256 /nfs/dbraw/zinc/14/02/56/829140256.db2.gz MQLOAFBTPLGADA-UHFFFAOYSA-N 1 1 318.359 -0.951 20 5 DBBDMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001175954955 833398200 /nfs/dbraw/zinc/39/82/00/833398200.db2.gz GIKSPACHLYVDTF-JTQLQIEISA-N 1 1 317.371 -0.338 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1CCOCC1 ZINC001122492156 829590632 /nfs/dbraw/zinc/59/06/32/829590632.db2.gz HENBTYLEIZMAAZ-UHFFFAOYSA-N 1 1 311.342 -0.039 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cc[n+]([O-])cc1 ZINC001123040413 829635300 /nfs/dbraw/zinc/63/53/00/829635300.db2.gz NVYSMYQEXPJGOC-UHFFFAOYSA-N 1 1 320.309 -0.519 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccc(=O)[nH]n1 ZINC001123091964 829640780 /nfs/dbraw/zinc/64/07/80/829640780.db2.gz SMXZUXIWUGZKEF-UHFFFAOYSA-N 1 1 321.297 -0.657 20 5 DBBDMO Cn1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC001123348337 829656340 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O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936416 829970142 /nfs/dbraw/zinc/97/01/42/829970142.db2.gz GQCKBFSPJYJGEJ-GHMZBOCLSA-N 1 1 319.383 -0.818 20 5 DBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCCC1 ZINC001126936814 829971553 /nfs/dbraw/zinc/97/15/53/829971553.db2.gz SDIPFXAYSGKWPV-VXGBXAGGSA-N 1 1 312.370 -0.240 20 5 DBBDMO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936648 829971759 /nfs/dbraw/zinc/97/17/59/829971759.db2.gz OKTBHJYUKHRVDV-NXEZZACHSA-N 1 1 301.347 -0.935 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCc1c[nH]cn1 ZINC001128986356 830147770 /nfs/dbraw/zinc/14/77/70/830147770.db2.gz STWLGJUGUOBIOA-UHFFFAOYSA-N 1 1 321.341 -0.110 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ncccn1 ZINC001135602152 831095800 /nfs/dbraw/zinc/09/58/00/831095800.db2.gz BQKNJSISCDWRJI-UHFFFAOYSA-N 1 1 305.298 -0.362 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1ncc[nH]1 ZINC001135761066 831118584 /nfs/dbraw/zinc/11/85/84/831118584.db2.gz XPUBCCJCOOALLP-UHFFFAOYSA-N 1 1 307.314 -0.500 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001142103128 831202678 /nfs/dbraw/zinc/20/26/78/831202678.db2.gz AFAOQNPMFHWHSK-JTQLQIEISA-N 1 1 311.342 -0.375 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001142103128 831202684 /nfs/dbraw/zinc/20/26/84/831202684.db2.gz AFAOQNPMFHWHSK-JTQLQIEISA-N 1 1 311.342 -0.375 20 5 DBBDMO CCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001157775341 832063520 /nfs/dbraw/zinc/06/35/20/832063520.db2.gz PGIJIZIIDSPOQX-VXGBXAGGSA-N 1 1 312.370 -0.242 20 5 DBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001159092300 832156354 /nfs/dbraw/zinc/15/63/54/832156354.db2.gz XEOBPKQKFCNKJT-NSHDSACASA-N 1 1 311.342 -0.246 20 5 DBBDMO O=C1C[NH2+]CCN1CCNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001161019701 832965979 /nfs/dbraw/zinc/96/59/79/832965979.db2.gz UCTVIVHGYMKBKD-UHFFFAOYSA-N 1 1 310.270 -0.258 20 5 DBBDMO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC([NH2+]C2COC2)C1 ZINC001179462010 833548475 /nfs/dbraw/zinc/54/84/75/833548475.db2.gz RAVRFJVYCLGWDF-UHFFFAOYSA-N 1 1 301.690 -0.216 20 5 DBBDMO CS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001256603405 834632579 /nfs/dbraw/zinc/63/25/79/834632579.db2.gz JGGSOQBMUOJQRB-MNOVXSKESA-N 1 1 318.355 -0.729 20 5 DBBDMO CS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001256603405 834632581 /nfs/dbraw/zinc/63/25/81/834632581.db2.gz JGGSOQBMUOJQRB-MNOVXSKESA-N 1 1 318.355 -0.729 20 5 DBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCOCCO)CC1 ZINC001195761934 834723005 /nfs/dbraw/zinc/72/30/05/834723005.db2.gz SLQLORKBXLMFNF-VXGBXAGGSA-N 1 1 301.343 -0.805 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCOCCO)CC1 ZINC001195761934 834723010 /nfs/dbraw/zinc/72/30/10/834723010.db2.gz SLQLORKBXLMFNF-VXGBXAGGSA-N 1 1 301.343 -0.805 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCOCCO)CC1 ZINC001195761934 834723024 /nfs/dbraw/zinc/72/30/24/834723024.db2.gz SLQLORKBXLMFNF-VXGBXAGGSA-N 1 1 301.343 -0.805 20 5 DBBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001261246844 834772669 /nfs/dbraw/zinc/77/26/69/834772669.db2.gz BYJWYNRQAIMPIV-SECBINFHSA-N 1 1 308.342 -0.452 20 5 DBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001261246844 834772674 /nfs/dbraw/zinc/77/26/74/834772674.db2.gz BYJWYNRQAIMPIV-SECBINFHSA-N 1 1 308.342 -0.452 20 5 DBBDMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCC1CCC1 ZINC001265476918 835146043 /nfs/dbraw/zinc/14/60/43/835146043.db2.gz UYNKHUKDPGWABM-FDYHWXHSSA-N 1 1 324.381 -0.195 20 5 DBBDMO C[N@H+]1CCC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)CC1 ZINC001224797356 979583613 /nfs/dbraw/zinc/58/36/13/979583613.db2.gz ODPDGLNNOJQEKK-JTQLQIEISA-N 1 1 316.314 -0.421 20 5 DBBDMO CC[N@H+]1CCC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1 ZINC001224798811 979585946 /nfs/dbraw/zinc/58/59/46/979585946.db2.gz CXVUNPJXTZHTTP-SNVBAGLBSA-N 1 1 316.314 -0.421 20 5 DBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001347773547 980248421 /nfs/dbraw/zinc/24/84/21/980248421.db2.gz XJLQNURQLCVXPE-UHFFFAOYSA-N 1 1 308.342 -0.600 20 5 DBBDMO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001348220911 980271000 /nfs/dbraw/zinc/27/10/00/980271000.db2.gz NOBHQAKKHISVET-VXGBXAGGSA-N 1 1 312.370 -0.336 20 5 DBBDMO CCC[N@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001348220911 980271015 /nfs/dbraw/zinc/27/10/15/980271015.db2.gz NOBHQAKKHISVET-VXGBXAGGSA-N 1 1 312.370 -0.336 20 5 DBBDMO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001348220911 980271022 /nfs/dbraw/zinc/27/10/22/980271022.db2.gz NOBHQAKKHISVET-VXGBXAGGSA-N 1 1 312.370 -0.336 20 5 DBBDMO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001355389938 980892385 /nfs/dbraw/zinc/89/23/85/980892385.db2.gz AEHCRYTZJHIJOT-LLVKDONJSA-N 1 1 310.358 -0.455 20 5 DBBDMO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001355389938 980892388 /nfs/dbraw/zinc/89/23/88/980892388.db2.gz AEHCRYTZJHIJOT-LLVKDONJSA-N 1 1 310.358 -0.455 20 5 DBBDMO CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001355592063 980901449 /nfs/dbraw/zinc/90/14/49/980901449.db2.gz OBQLCRSJCCVCPF-GHMZBOCLSA-N 1 1 300.359 -0.432 20 5 DBBDMO CCCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001490889803 1015148988 /nfs/dbraw/zinc/14/89/88/1015148988.db2.gz YCUXYNHKBRIGPK-DDHJBXDOSA-N 1 1 312.370 -0.195 20 5 DBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)n1 ZINC001542951792 1015533038 /nfs/dbraw/zinc/53/30/38/1015533038.db2.gz DEWCLCAQJWMAMS-UHFFFAOYSA-N 1 1 324.341 -0.778 20 5 DBBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC(O)CC2)n1 ZINC001556641898 1015928636 /nfs/dbraw/zinc/92/86/36/1015928636.db2.gz RPYTYDLUTOLHOE-UHFFFAOYSA-N 1 1 311.342 -0.002 20 5 DBBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001593467180 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RCCFPADMKAKNSQ-KOLCDFICSA-N 1 1 309.326 -0.127 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000347384674 527415368 /nfs/dbraw/zinc/41/53/68/527415368.db2.gz WZDNTFSNOBYLHR-CMPLNLGQSA-N 1 1 316.383 -0.048 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000348767304 527415466 /nfs/dbraw/zinc/41/54/66/527415466.db2.gz VZXHTUVSLYNUGQ-QWHCGFSZSA-N 1 1 311.342 -0.831 20 5 DBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000363806820 527486270 /nfs/dbraw/zinc/48/62/70/527486270.db2.gz RLZZCGOUJOEODL-CYBMUJFWSA-N 1 1 308.338 -0.227 20 5 DBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000363806820 527486274 /nfs/dbraw/zinc/48/62/74/527486274.db2.gz RLZZCGOUJOEODL-CYBMUJFWSA-N 1 1 308.338 -0.227 20 5 DBBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCO)CC2)c(-c2nn[nH]n2)c1 ZINC000823650908 599388164 /nfs/dbraw/zinc/38/81/64/599388164.db2.gz DDTPETXSNZGJBK-UHFFFAOYSA-N 1 1 320.313 -0.716 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000933389364 664215192 /nfs/dbraw/zinc/21/51/92/664215192.db2.gz ZGMXUEVVKVSZNB-ZYHUDNBSSA-N 1 1 324.385 -0.150 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000933389360 664215299 /nfs/dbraw/zinc/21/52/99/664215299.db2.gz ZGMXUEVVKVSZNB-JQWIXIFHSA-N 1 1 324.385 -0.150 20 5 DBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888989059 664449264 /nfs/dbraw/zinc/44/92/64/664449264.db2.gz YSNDBGBHXVSTBK-UHFFFAOYSA-N 1 1 310.358 -0.352 20 5 DBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888989059 664449266 /nfs/dbraw/zinc/44/92/66/664449266.db2.gz YSNDBGBHXVSTBK-UHFFFAOYSA-N 1 1 310.358 -0.352 20 5 DBBDMO O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973256897 665015994 /nfs/dbraw/zinc/01/59/94/665015994.db2.gz YXLJPEJIPPIICP-DDHJBXDOSA-N 1 1 310.354 -0.489 20 5 DBBDMO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC000983653224 671226027 /nfs/dbraw/zinc/22/60/27/671226027.db2.gz HWGDMJCXNYMGFW-CNVPUSNMSA-N 1 1 308.342 -0.535 20 5 DBBDMO C[N@@H+](CCn1cncn1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433553 671481908 /nfs/dbraw/zinc/48/19/08/671481908.db2.gz MEFRVQFMPUKVQZ-CHWSQXEVSA-N 1 1 322.369 -0.134 20 5 DBBDMO C[N@H+](CCn1cncn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985433553 671481909 /nfs/dbraw/zinc/48/19/09/671481909.db2.gz MEFRVQFMPUKVQZ-CHWSQXEVSA-N 1 1 322.369 -0.134 20 5 DBBDMO C[N@@H+](CCn1cncn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985433553 671481912 /nfs/dbraw/zinc/48/19/12/671481912.db2.gz MEFRVQFMPUKVQZ-CHWSQXEVSA-N 1 1 322.369 -0.134 20 5 DBBDMO Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662671 677494986 /nfs/dbraw/zinc/49/49/86/677494986.db2.gz KIVMUKJMNMNYQT-CHWSQXEVSA-N 1 1 307.354 -0.324 20 5 DBBDMO Cn1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996428432 678247586 /nfs/dbraw/zinc/24/75/86/678247586.db2.gz COJOWSDZYRFIRB-VXGBXAGGSA-N 1 1 308.342 -0.439 20 5 DBBDMO Cn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000997773048 678509857 /nfs/dbraw/zinc/50/98/57/678509857.db2.gz RLENOVQARINOCE-CHWSQXEVSA-N 1 1 322.369 -0.192 20 5 DBBDMO CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296134684 805612937 /nfs/dbraw/zinc/61/29/37/805612937.db2.gz ZADACKVBINXSLT-VXGBXAGGSA-N 1 1 312.370 -0.432 20 5 DBBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001302506066 805910395 /nfs/dbraw/zinc/91/03/95/805910395.db2.gz KGNLOSNIQHHGJF-CQSZACIVSA-N 1 1 309.322 -0.016 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC001307781216 805931211 /nfs/dbraw/zinc/93/12/11/805931211.db2.gz WNANREYTNZVOAO-KOLCDFICSA-N 1 1 306.269 -0.146 20 5 DBBDMO O=C1NC(=O)[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC001307785027 805932540 /nfs/dbraw/zinc/93/25/40/805932540.db2.gz HBLLHGXIFWZQQW-TUAOUCFPSA-N 1 1 305.290 -0.167 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC001308107854 805933397 /nfs/dbraw/zinc/93/33/97/805933397.db2.gz ZMBUJDGLFAABQI-RWMBFGLXSA-N 1 1 312.326 -0.358 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC001308107854 805933401 /nfs/dbraw/zinc/93/34/01/805933401.db2.gz ZMBUJDGLFAABQI-RWMBFGLXSA-N 1 1 312.326 -0.358 20 5 DBBDMO CCn1cc(S(=O)(=O)NCC[N@H+](C)CCO)c([N+](=O)[O-])n1 ZINC001309846670 805941294 /nfs/dbraw/zinc/94/12/94/805941294.db2.gz WVGRSQVAVCMMIO-UHFFFAOYSA-N 1 1 321.359 -0.986 20 5 DBBDMO CCn1cc(S(=O)(=O)NCC[N@@H+](C)CCO)c([N+](=O)[O-])n1 ZINC001309846670 805941300 /nfs/dbraw/zinc/94/13/00/805941300.db2.gz WVGRSQVAVCMMIO-UHFFFAOYSA-N 1 1 321.359 -0.986 20 5 DBBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000861342897 806265487 /nfs/dbraw/zinc/26/54/87/806265487.db2.gz DXOXGYQZHWXEOG-CABZTGNLSA-N 1 1 313.314 -0.161 20 5 DBBDMO C[C@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)N1CC[NH2+]CC1=O ZINC000863670134 806368483 /nfs/dbraw/zinc/36/84/83/806368483.db2.gz JYMAGZQSMNVWCI-SSDOTTSWSA-N 1 1 321.297 -0.129 20 5 DBBDMO O=c1cc2c(n[nH]1)CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001320408930 806487017 /nfs/dbraw/zinc/48/70/17/806487017.db2.gz TUWQZEDMYVXYDQ-NSHDSACASA-N 1 1 320.309 -0.294 20 5 DBBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](CCCCO)CC1 ZINC000742410788 803970160 /nfs/dbraw/zinc/97/01/60/803970160.db2.gz AXQUPXHMJCETNW-UHFFFAOYSA-N 1 1 323.353 -0.017 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC[C@H]2CCO)c1 ZINC000762337527 804247923 /nfs/dbraw/zinc/24/79/23/804247923.db2.gz HRKWVGOWYDTJSX-ZYHUDNBSSA-N 1 1 300.315 -0.765 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@H]2CCO)c1 ZINC000762337527 804247933 /nfs/dbraw/zinc/24/79/33/804247933.db2.gz HRKWVGOWYDTJSX-ZYHUDNBSSA-N 1 1 300.315 -0.765 20 5 DBBDMO CNC(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001324864687 807012436 /nfs/dbraw/zinc/01/24/36/807012436.db2.gz RCKJUDSVGVIPTN-GHMZBOCLSA-N 1 1 312.370 -0.384 20 5 DBBDMO Cn1cncc1CC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285545791 804913258 /nfs/dbraw/zinc/91/32/58/804913258.db2.gz SIZSGOMUTKTEFP-JGLYPNHGSA-N 1 1 321.337 -0.584 20 5 DBBDMO C[N@H+](CCO)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000830414299 805433918 /nfs/dbraw/zinc/43/39/18/805433918.db2.gz PRSZTGQBOGGTIO-UHFFFAOYSA-N 1 1 303.340 -0.203 20 5 DBBDMO C[N@@H+](CCO)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000830414299 805433921 /nfs/dbraw/zinc/43/39/21/805433921.db2.gz PRSZTGQBOGGTIO-UHFFFAOYSA-N 1 1 303.340 -0.203 20 5 DBBDMO C[NH+](C)CCC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001293731147 805443148 /nfs/dbraw/zinc/44/31/48/805443148.db2.gz NVHYNWOHSATCRI-VXGBXAGGSA-N 1 1 312.370 -0.336 20 5 DBBDMO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839649518 805557613 /nfs/dbraw/zinc/55/76/13/805557613.db2.gz HCAQVSBUNFTLAZ-VXGBXAGGSA-N 1 1 312.370 -0.336 20 5 DBBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]2N1 ZINC001328428831 807426001 /nfs/dbraw/zinc/42/60/01/807426001.db2.gz IRODIZBCTCNNLG-RAIGVLPGSA-N 1 1 323.353 -0.247 20 5 DBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001331730171 807822119 /nfs/dbraw/zinc/82/21/19/807822119.db2.gz JUIOOAPQALORFC-ZJUUUORDSA-N 1 1 309.326 -0.391 20 5 DBBDMO C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC001340914984 808663525 /nfs/dbraw/zinc/66/35/25/808663525.db2.gz HRWNJYSEVUBPOG-GWCFXTLKSA-N 1 1 324.337 -0.408 20 5 DBBDMO C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001340914984 808663527 /nfs/dbraw/zinc/66/35/27/808663527.db2.gz HRWNJYSEVUBPOG-GWCFXTLKSA-N 1 1 324.337 -0.408 20 5 DBBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000954242587 809199943 /nfs/dbraw/zinc/19/99/43/809199943.db2.gz VDEVDKXCKNMMLR-CHWSQXEVSA-N 1 1 324.381 -0.195 20 5 DBBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000954242587 809199944 /nfs/dbraw/zinc/19/99/44/809199944.db2.gz VDEVDKXCKNMMLR-CHWSQXEVSA-N 1 1 324.381 -0.195 20 5 DBBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000954242587 809199948 /nfs/dbraw/zinc/19/99/48/809199948.db2.gz VDEVDKXCKNMMLR-CHWSQXEVSA-N 1 1 324.381 -0.195 20 5 DBBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000954243177 809201373 /nfs/dbraw/zinc/20/13/73/809201373.db2.gz LQLGMGNGKGZVIB-VXGBXAGGSA-N 1 1 324.381 -0.195 20 5 DBBDMO NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000957547742 809653429 /nfs/dbraw/zinc/65/34/29/809653429.db2.gz OIINUFJPBTUZKD-VXGBXAGGSA-N 1 1 324.381 -0.159 20 5 DBBDMO COc1nccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020138902 814312025 /nfs/dbraw/zinc/31/20/25/814312025.db2.gz HGEMQYKHAXFHDE-DDHJBXDOSA-N 1 1 321.337 -0.113 20 5 DBBDMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001049021217 817511544 /nfs/dbraw/zinc/51/15/44/817511544.db2.gz QFJQREVKZHUBCZ-TXEJJXNPSA-N 1 1 318.333 -0.030 20 5 DBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@H+](CC2CC2)CC1 ZINC001070963346 820587547 /nfs/dbraw/zinc/58/75/47/820587547.db2.gz MZXHAFDDMXOJIH-CHWSQXEVSA-N 1 1 324.381 -0.288 20 5 DBBDMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725196 820996690 /nfs/dbraw/zinc/99/66/90/820996690.db2.gz KKXOENDTFHIUBU-GHMZBOCLSA-N 1 1 310.354 -0.726 20 5 DBBDMO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCC1 ZINC001086083002 825175268 /nfs/dbraw/zinc/17/52/68/825175268.db2.gz KIYPWSRNDXUWSI-YVECIDJPSA-N 1 1 324.381 -0.242 20 5 DBBDMO Cc1nn(C)c(C(=O)NCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC001161333310 833006364 /nfs/dbraw/zinc/00/63/64/833006364.db2.gz NRBSOLOZXJDKDW-UHFFFAOYSA-N 1 1 311.342 -0.177 20 5 DBBDMO CCC[N@@H+](C)CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001093788255 826169451 /nfs/dbraw/zinc/16/94/51/826169451.db2.gz VUKMBWPAXXXPTM-UHFFFAOYSA-N 1 1 311.346 -0.163 20 5 DBBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C[N@@H+]1CCO ZINC001162247838 833084368 /nfs/dbraw/zinc/08/43/68/833084368.db2.gz BRKVPAFKJOQOPI-ZJUUUORDSA-N 1 1 311.342 -0.145 20 5 DBBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C[N@H+]1CCO ZINC001162247838 833084374 /nfs/dbraw/zinc/08/43/74/833084374.db2.gz BRKVPAFKJOQOPI-ZJUUUORDSA-N 1 1 311.342 -0.145 20 5 DBBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162441469 833101730 /nfs/dbraw/zinc/10/17/30/833101730.db2.gz YDWZRWUVHDSRGD-UJNFCWOMSA-N 1 1 313.749 -0.551 20 5 DBBDMO COc1nc(C)nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163235775 833139670 /nfs/dbraw/zinc/13/96/70/833139670.db2.gz GCFXJVIRZGQDOL-KRTXAFLBSA-N 1 1 308.298 -0.308 20 5 DBBDMO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490671 833214024 /nfs/dbraw/zinc/21/40/24/833214024.db2.gz QRFVPTCBTRRWKX-GHMZBOCLSA-N 1 1 312.370 -0.384 20 5 DBBDMO Cn1nncc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164491027 833214255 /nfs/dbraw/zinc/21/42/55/833214255.db2.gz XWWYTROHTMSKMM-VXGBXAGGSA-N 1 1 322.369 -0.144 20 5 DBBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+][C@H](C(N)=O)C2)n1 ZINC001166724254 833279184 /nfs/dbraw/zinc/27/91/84/833279184.db2.gz RQRSJZMRJXGUCC-LURJTMIESA-N 1 1 300.706 -0.390 20 5 DBBDMO CNS(=O)(=O)[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001168317162 833322414 /nfs/dbraw/zinc/32/24/14/833322414.db2.gz JWGZZHSURKZNBG-JTQLQIEISA-N 1 1 317.371 -0.277 20 5 DBBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001168317162 833322416 /nfs/dbraw/zinc/32/24/16/833322416.db2.gz JWGZZHSURKZNBG-JTQLQIEISA-N 1 1 317.371 -0.277 20 5 DBBDMO CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169028379 833332835 /nfs/dbraw/zinc/33/28/35/833332835.db2.gz RWUQLLHHSKEWQX-NFAWXSAZSA-N 1 1 324.381 -0.145 20 5 DBBDMO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001175668897 833394383 /nfs/dbraw/zinc/39/43/83/833394383.db2.gz IPLJYXDJDKYZHY-AWEZNQCLSA-N 1 1 323.305 -0.197 20 5 DBBDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001175668897 833394385 /nfs/dbraw/zinc/39/43/85/833394385.db2.gz IPLJYXDJDKYZHY-AWEZNQCLSA-N 1 1 323.305 -0.197 20 5 DBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001175698233 833394943 /nfs/dbraw/zinc/39/49/43/833394943.db2.gz NADUJGOLLXBBFS-SECBINFHSA-N 1 1 305.298 -0.241 20 5 DBBDMO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123809329 829679234 /nfs/dbraw/zinc/67/92/34/829679234.db2.gz CEDUSYQEMVALEK-UHFFFAOYSA-N 1 1 312.330 -0.988 20 5 DBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001124009858 829696151 /nfs/dbraw/zinc/69/61/51/829696151.db2.gz FCTKHZYWLZQFOB-UHFFFAOYSA-N 1 1 309.326 -0.563 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cccc(=O)[nH]1 ZINC001125293183 829852068 /nfs/dbraw/zinc/85/20/68/829852068.db2.gz XOWHHRNYVPHJFD-UHFFFAOYSA-N 1 1 320.309 -0.052 20 5 DBBDMO 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Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605617 830672785 /nfs/dbraw/zinc/67/27/85/830672785.db2.gz ZBVHZDUPKKJIEJ-JZYVYDRUSA-N 1 1 309.326 -0.574 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCc1cn[nH]c1 ZINC001135046049 831002158 /nfs/dbraw/zinc/00/21/58/831002158.db2.gz WHJIVYJGVGIKHJ-UHFFFAOYSA-N 1 1 321.341 -0.110 20 5 DBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001138061775 831173533 /nfs/dbraw/zinc/17/35/33/831173533.db2.gz UGUIENIEELHHAM-SNVBAGLBSA-N 1 1 303.706 -0.232 20 5 DBBDMO Cc1nonc1CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001146251042 831272959 /nfs/dbraw/zinc/27/29/59/831272959.db2.gz HUFVVMZLKYVMOX-UHFFFAOYSA-N 1 1 323.313 -0.532 20 5 DBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001146376786 831277705 /nfs/dbraw/zinc/27/77/05/831277705.db2.gz MLYGGBAHXBVSGX-KBPBESRZSA-N 1 1 322.365 -0.010 20 5 DBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147506267 831377732 /nfs/dbraw/zinc/37/77/32/831377732.db2.gz FFYHQDMDXNRDSA-VXGBXAGGSA-N 1 1 313.354 -0.805 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147506267 831377736 /nfs/dbraw/zinc/37/77/36/831377736.db2.gz FFYHQDMDXNRDSA-VXGBXAGGSA-N 1 1 313.354 -0.805 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147506267 831377742 /nfs/dbraw/zinc/37/77/42/831377742.db2.gz FFYHQDMDXNRDSA-VXGBXAGGSA-N 1 1 313.354 -0.805 20 5 DBBDMO Cn1ccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001151084962 831664185 /nfs/dbraw/zinc/66/41/85/831664185.db2.gz WFWWJDQQHXAWNK-UHFFFAOYSA-N 1 1 307.314 -0.419 20 5 DBBDMO COc1nc(C)c([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155568668 831939199 /nfs/dbraw/zinc/93/91/99/831939199.db2.gz BAZGXJZYYBAQFK-MADCSZMMSA-N 1 1 308.298 -0.308 20 5 DBBDMO COC(=O)c1cnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001155568885 831939332 /nfs/dbraw/zinc/93/93/32/831939332.db2.gz CCQHRISZUFBMPJ-RNCFNFMXSA-N 1 1 321.293 -0.234 20 5 DBBDMO Cc1nc(C)n(CC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157767129 832061839 /nfs/dbraw/zinc/06/18/39/832061839.db2.gz IAZDSNDJZGPHSO-VXGBXAGGSA-N 1 1 310.358 -0.344 20 5 DBBDMO CC(C)(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767822 832061954 /nfs/dbraw/zinc/06/19/54/832061954.db2.gz WASSOHNBTGHZIA-GHMZBOCLSA-N 1 1 314.386 -0.090 20 5 DBBDMO Cc1cnc(CN)n1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158162949 832093344 /nfs/dbraw/zinc/09/33/44/832093344.db2.gz JNIGIGILBHMUBE-UHFFFAOYSA-N 1 1 318.341 -0.253 20 5 DBBDMO CN(CC1CC1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001269411755 832430370 /nfs/dbraw/zinc/43/03/70/832430370.db2.gz RVOANEKBXKMGLS-VXGBXAGGSA-N 1 1 324.381 -0.242 20 5 DBBDMO CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC001187724023 833944119 /nfs/dbraw/zinc/94/41/19/833944119.db2.gz AGMWTPCKVJGIOR-UHFFFAOYSA-N 1 1 322.369 -0.228 20 5 DBBDMO NC(=O)[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC001196091748 834757130 /nfs/dbraw/zinc/75/71/30/834757130.db2.gz BKGFRFSWYBIJED-AOOOYVTPSA-N 1 1 310.285 -0.248 20 5 DBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nnc3n2CCCC3)c1 ZINC001261435788 834784082 /nfs/dbraw/zinc/78/40/82/834784082.db2.gz FVMNFRXEFCCEKO-LLVKDONJSA-N 1 1 321.341 -0.130 20 5 DBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCn2cncn2)CC1 ZINC001205230024 835337815 /nfs/dbraw/zinc/33/78/15/835337815.db2.gz LUZATBBYWRIJFT-CHWSQXEVSA-N 1 1 322.369 -0.229 20 5 DBBDMO CC[NH+](CC)CC(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528184468 1014371109 /nfs/dbraw/zinc/37/11/09/1014371109.db2.gz ARCRFHXMNOSQGN-GHMZBOCLSA-N 1 1 300.359 -0.432 20 5 DBBDMO Cc1[nH]nc(C(=O)N2CCN(C3C[NH+](C)C3)CC2)c1[N+](=O)[O-] ZINC001347363105 980216005 /nfs/dbraw/zinc/21/60/05/980216005.db2.gz PLXVXRLJJFGVKV-UHFFFAOYSA-N 1 1 308.342 -0.302 20 5 DBBDMO Cc1nn(C)c(C(=O)N2CCN(C3C[NH+](C)C3)CC2)c1[N+](=O)[O-] ZINC001347771934 980248061 /nfs/dbraw/zinc/24/80/61/980248061.db2.gz GDOKDRJLZOECCA-UHFFFAOYSA-N 1 1 322.369 -0.291 20 5 DBBDMO C[NH+]1CC(N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC001348304337 980278009 /nfs/dbraw/zinc/27/80/09/980278009.db2.gz FRWGURKGIDAKJQ-UHFFFAOYSA-N 1 1 322.369 -0.360 20 5 DBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001556662689 1015929697 /nfs/dbraw/zinc/92/96/97/1015929697.db2.gz KVZAWIGIMLYKTH-NSHDSACASA-N 1 1 311.342 -0.246 20 5 DBBDMO C[N@@H+]1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1CO ZINC001591193990 1016417020 /nfs/dbraw/zinc/41/70/20/1016417020.db2.gz OTRRFXFDYCAQNE-VIFPVBQESA-N 1 1 319.325 -0.112 20 5 DBBDMO C[N@H+]1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1CO ZINC001591193990 1016417032 /nfs/dbraw/zinc/41/70/32/1016417032.db2.gz OTRRFXFDYCAQNE-VIFPVBQESA-N 1 1 319.325 -0.112 20 5 DBBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC([NH2+]C2COC2)C1 ZINC001593468008 1016896149 /nfs/dbraw/zinc/89/61/49/1016896149.db2.gz IDQPEGPJNIJEOJ-UHFFFAOYSA-N 1 1 317.309 -0.048 20 5 DBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001470287378 1009729061 /nfs/dbraw/zinc/72/90/61/1009729061.db2.gz XFCNJSMOTMOBIJ-LLVKDONJSA-N 1 1 324.341 -0.756 20 5 DBBDMO C[C@@H]1NC(=O)[C@H](C)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC001473600222 1009934767 /nfs/dbraw/zinc/93/47/67/1009934767.db2.gz LZCTYDXNAGIPLG-GMOBBJLQSA-N 1 1 311.342 -0.251 20 5 DBBDMO C[C@@H]1NC(=O)[C@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC001473600222 1009934778 /nfs/dbraw/zinc/93/47/78/1009934778.db2.gz LZCTYDXNAGIPLG-GMOBBJLQSA-N 1 1 311.342 -0.251 20 5 DBBDMO NC(=O)[C@H]1C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(N)=O ZINC001473642414 1009940309 /nfs/dbraw/zinc/94/03/09/1009940309.db2.gz KAKNTYIEOPLJMJ-YUMQZZPRSA-N 1 1 310.285 -0.248 20 5 DBBDMO CNS(=O)(=O)CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001474454338 1009973543 /nfs/dbraw/zinc/97/35/43/1009973543.db2.gz WVDCXZZOVIIBRN-UHFFFAOYSA-N 1 1 319.339 -0.052 20 5 DBBDMO CN(CC[NH2+]CC(=O)N1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001481229527 1010866546 /nfs/dbraw/zinc/86/65/46/1010866546.db2.gz RDAADEPQIZJNEX-VXGBXAGGSA-N 1 1 312.370 -0.288 20 5 DBBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@]1(CO)COCC[NH2+]1 ZINC001454772475 1012122291 /nfs/dbraw/zinc/12/22/91/1012122291.db2.gz BVXGWGKQKDJFMK-AWEZNQCLSA-N 1 1 309.322 -0.396 20 5 DBBDMO C[NH+]1CC(N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)C1 ZINC001455661709 1012476157 /nfs/dbraw/zinc/47/61/57/1012476157.db2.gz GSHPZTXBUNUEME-UHFFFAOYSA-N 1 1 320.353 -0.356 20 5 DBBDMO C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001596047854 1017113628 /nfs/dbraw/zinc/11/36/28/1017113628.db2.gz DDTPWXCZYLCFIB-UHFFFAOYSA-N 1 1 300.290 -0.030 20 5 DBBDMO CS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001499221934 1018035250 /nfs/dbraw/zinc/03/52/50/1018035250.db2.gz WKTBKHRFBZZXEZ-NXEZZACHSA-N 1 1 319.383 -0.675 20 5 DBBDMO NC(=O)[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001606408791 1018825704 /nfs/dbraw/zinc/82/57/04/1018825704.db2.gz HVIOEYYWNHZCPR-MRVPVSSYSA-N 1 1 318.297 -0.962 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001617646543 1019786044 /nfs/dbraw/zinc/78/60/44/1019786044.db2.gz TZFZHUURTHYPMO-ZDUSSCGKSA-N 1 1 322.325 -0.226 20 5 DBBDMO CN1C(=O)CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1=O ZINC001578512926 1020250049 /nfs/dbraw/zinc/25/00/49/1020250049.db2.gz DVXFYINHXWPBDF-CQSZACIVSA-N 1 1 320.305 -0.404 20 5 DBBDMO C[N@H+]1CC[C@@](O)(CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001579349727 1020428098 /nfs/dbraw/zinc/42/80/98/1020428098.db2.gz SAXZPYYNBCASFY-GFCCVEGCSA-N 1 1 320.313 -0.352 20 5 DBBDMO CCN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581088599 1020823274 /nfs/dbraw/zinc/82/32/74/1020823274.db2.gz MYUGBTFJPHIBPM-VXGBXAGGSA-N 1 1 312.370 -0.288 20 5 DBBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001586275466 1021079591 /nfs/dbraw/zinc/07/95/91/1021079591.db2.gz JUCZQHVHMYJPHW-UHFFFAOYSA-N 1 1 310.314 -0.836 20 5 DBBDMO C[C@@H]1C[N@H+](CCO)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001559211046 1023983597 /nfs/dbraw/zinc/98/35/97/1023983597.db2.gz FWSFCKJCJCEXCI-SECBINFHSA-N 1 1 309.326 -0.409 20 5 DBBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001559211046 1023983639 /nfs/dbraw/zinc/98/36/39/1023983639.db2.gz FWSFCKJCJCEXCI-SECBINFHSA-N 1 1 309.326 -0.409 20 5 DBBDMO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC[N+](=O)[O-] ZINC001559874326 1024000579 /nfs/dbraw/zinc/00/05/79/1024000579.db2.gz MLXJSUFUEJYZBV-UHFFFAOYSA-N 1 1 303.340 -0.079 20 5 DBBDMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC[N+](=O)[O-] ZINC001559874326 1024000598 /nfs/dbraw/zinc/00/05/98/1024000598.db2.gz MLXJSUFUEJYZBV-UHFFFAOYSA-N 1 1 303.340 -0.079 20 5 DBBDMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566971808 1024446707 /nfs/dbraw/zinc/44/67/07/1024446707.db2.gz JXJBFNVUKOSABJ-HMUNZLOLSA-N 1 1 310.354 -0.824 20 5 DBBDMO 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CC(C)(C)CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936658 829971612 /nfs/dbraw/zinc/97/16/12/829971612.db2.gz PGZNXCRDBRODGZ-GHMZBOCLSA-N 1 1 314.386 -0.090 20 5 DBBDMO O=C(NCC[NH2+]CCCCCn1cncn1)[C@@H]1CC1[N+](=O)[O-] ZINC001126938528 829971718 /nfs/dbraw/zinc/97/17/18/829971718.db2.gz CQMTUYHUZIGYIQ-VXGBXAGGSA-N 1 1 310.358 -0.181 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129992445 830241419 /nfs/dbraw/zinc/24/14/19/830241419.db2.gz FHHIPGLXFNGCKL-UHFFFAOYSA-N 1 1 321.297 -0.657 20 5 DBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccnnc1 ZINC001134284079 830917791 /nfs/dbraw/zinc/91/77/91/830917791.db2.gz RKZTTZRRFQEQBP-UHFFFAOYSA-N 1 1 305.298 -0.362 20 5 DBBDMO Cc1c[nH]c(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001135051839 831002970 /nfs/dbraw/zinc/00/29/70/831002970.db2.gz CRWBLFRKLCBONH-UHFFFAOYSA-N 1 1 307.314 -0.121 20 5 DBBDMO C[NH+]1CCN(CC2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC001141387759 831191517 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1021083261 /nfs/dbraw/zinc/08/32/61/1021083261.db2.gz HLGPNLKACLWCBJ-CQSZACIVSA-N 1 1 309.322 -0.396 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001518056641 1021558287 /nfs/dbraw/zinc/55/82/87/1021558287.db2.gz VMVDRUIXEUIGNQ-MWLCHTKSSA-N 1 1 311.342 -0.065 20 5 DBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001518056641 1021558317 /nfs/dbraw/zinc/55/83/17/1021558317.db2.gz VMVDRUIXEUIGNQ-MWLCHTKSSA-N 1 1 311.342 -0.065 20 5 DBBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001519613823 1021572375 /nfs/dbraw/zinc/57/23/75/1021572375.db2.gz GQSDBXNOPKDWTE-NSHDSACASA-N 1 1 310.358 -0.107 20 5 DBBDMO O=C1NCC[C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]12 ZINC001560096945 1023998701 /nfs/dbraw/zinc/99/87/01/1023998701.db2.gz LHVZCCHDSRIADI-CYZMBNFOSA-N 1 1 323.353 -0.247 20 5 DBBDMO Cn1cc(C[NH+]2CCC(O)(COCCO)CC2)c([N+](=O)[O-])n1 ZINC001560155899 1024006018 /nfs/dbraw/zinc/00/60/18/1024006018.db2.gz XLNYREYKDXVJDD-UHFFFAOYSA-N 1 1 314.342 -0.336 20 5 DBBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCOCCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001568103615 1024863606 /nfs/dbraw/zinc/86/36/06/1024863606.db2.gz YNTNHSPFYYNNPS-FDYHWXHSSA-N 1 1 315.370 -0.323 20 5 DBBDMO CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001570674427 1025700210 /nfs/dbraw/zinc/70/02/10/1025700210.db2.gz YJKSPYDFFRPSMN-NXEZZACHSA-N 1 1 300.359 -0.528 20 5 DBBDMO