smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ncnc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164668473 719393991 /nfs/dbraw/zinc/39/39/91/719393991.db2.gz RTOJSIBSYSFHIA-DTWKUNHWSA-N 1 0 295.299 -0.087 20 5 CBBDRO NC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157339709 790403593 /nfs/dbraw/zinc/40/35/93/790403593.db2.gz KQCRNHLTOBUGNC-UHFFFAOYSA-N 1 0 267.289 -0.011 20 5 CBBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000702053077 790718652 /nfs/dbraw/zinc/71/86/52/790718652.db2.gz UWFGETJLMVBOAN-VIFPVBQESA-N 1 0 267.289 -0.141 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH2+]CC1 ZINC000702051185 790719111 /nfs/dbraw/zinc/71/91/11/790719111.db2.gz SHXZBTMBVNRNRL-UHFFFAOYSA-N 1 0 253.262 -0.341 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000720925615 790774591 /nfs/dbraw/zinc/77/45/91/790774591.db2.gz OREJWRKZKGSYCN-GDPRMGEGSA-N 1 0 270.289 -0.487 20 5 CBBDRO COCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031660146 799530335 /nfs/dbraw/zinc/53/03/35/799530335.db2.gz BQZKLNQUJTVKBU-NXEZZACHSA-N 1 0 257.290 -0.654 20 5 CBBDRO CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055483811 802395627 /nfs/dbraw/zinc/39/56/27/802395627.db2.gz QSTGZYLFXDVDJX-VXGBXAGGSA-N 1 0 298.343 -0.632 20 5 CBBDRO NC(=O)COC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC001322380312 803891496 /nfs/dbraw/zinc/89/14/96/803891496.db2.gz AYNGPZQMAAEXDZ-UHFFFAOYSA-N 1 0 283.288 -0.285 20 5 CBBDRO CN(CCNS(C)(=O)=O)CCn1cc([N+](=O)[O-])cn1 ZINC001323485662 804033167 /nfs/dbraw/zinc/03/31/67/804033167.db2.gz MNRWDEOXMOEJBS-UHFFFAOYSA-N 1 0 291.333 -0.728 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCOCC[NH+](C)C ZINC001152947255 815142704 /nfs/dbraw/zinc/14/27/04/815142704.db2.gz JGJPFGFQBARCIQ-UHFFFAOYSA-N 1 0 299.331 -0.206 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(CC[NH3+])S(C)(=O)=O ZINC001154770475 815239582 /nfs/dbraw/zinc/23/95/82/815239582.db2.gz KIVIPUQZRSFMAC-UHFFFAOYSA-N 1 0 290.301 -0.739 20 5 CBBDRO COC(=O)c1cnc(N[C@@H]2COC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001155346270 815278537 /nfs/dbraw/zinc/27/85/37/815278537.db2.gz WVPXHQVERUMVBV-JGVFFNPUSA-N 1 0 282.256 -0.086 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001155347337 815278718 /nfs/dbraw/zinc/27/87/18/815278718.db2.gz VKCGQAMYNSGUFA-DTWKUNHWSA-N 1 0 282.256 -0.086 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155573149 815295639 /nfs/dbraw/zinc/29/56/39/815295639.db2.gz YPDGXSXNIDAVCI-KWQFWETISA-N 1 0 278.272 -0.317 20 5 CBBDRO Nc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155574085 815296655 /nfs/dbraw/zinc/29/66/55/815296655.db2.gz DWXRKUOQWBWTAW-KWQFWETISA-N 1 0 278.272 -0.438 20 5 CBBDRO COc1nc(N(CC[NH3+])CCO)ccc1[N+](=O)[O-] ZINC001155949508 815324902 /nfs/dbraw/zinc/32/49/02/815324902.db2.gz OKKUJAGHBHYLPC-UHFFFAOYSA-N 1 0 256.262 -0.244 20 5 CBBDRO COc1ncnc(N(CC[NH3+])CCO)c1[N+](=O)[O-] ZINC001155949854 815325571 /nfs/dbraw/zinc/32/55/71/815325571.db2.gz ZYGYBNURYHTIJX-UHFFFAOYSA-N 1 0 257.250 -0.849 20 5 CBBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084132 810241892 /nfs/dbraw/zinc/24/18/92/810241892.db2.gz DXHSMKWTFNQGIO-UTINFBMNSA-N 1 0 257.290 -0.872 20 5 CBBDRO CN1CC[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1=O ZINC001156509239 815363754 /nfs/dbraw/zinc/36/37/54/815363754.db2.gz LYNKZWPQCLYOOW-QMMMGPOBSA-N 1 0 292.299 -0.286 20 5 CBBDRO CN[C@H]1CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156660055 815372520 /nfs/dbraw/zinc/37/25/20/815372520.db2.gz MAYGOOWIMMUAKT-SECBINFHSA-N 1 0 264.289 -0.173 20 5 CBBDRO CCC(CO)(CO)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157206093 815413773 /nfs/dbraw/zinc/41/37/73/815413773.db2.gz XEVOZMLXDGRUBR-UHFFFAOYSA-N 1 0 297.315 -0.383 20 5 CBBDRO COc1nc(N2C[C@@H]3C[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157619173 815448695 /nfs/dbraw/zinc/44/86/95/815448695.db2.gz YQWZZGZDEZSEOK-NKWVEPMBSA-N 1 0 251.246 -0.199 20 5 CBBDRO Cn1cc(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001157767055 815462949 /nfs/dbraw/zinc/46/29/49/815462949.db2.gz FUIFIKCLQMHZQY-VXGBXAGGSA-N 1 0 295.343 -0.276 20 5 CBBDRO Cn1ccnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760749 815463306 /nfs/dbraw/zinc/46/33/06/815463306.db2.gz IGNOMXUGUMHNQU-NXEZZACHSA-N 1 0 281.316 -0.319 20 5 CBBDRO COc1nc(-n2nnnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001158074433 815500371 /nfs/dbraw/zinc/50/03/71/815500371.db2.gz ACIVXGWTEQSKOB-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO Cc1nc(CC[NH3+])nn1-c1ncc([N+](=O)[O-])cc1N ZINC001158130459 815506434 /nfs/dbraw/zinc/50/64/34/815506434.db2.gz CJUWNRPUTPCBDD-UHFFFAOYSA-N 1 0 263.261 -0.038 20 5 CBBDRO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCC[NH2+]C1 ZINC001118082270 812468281 /nfs/dbraw/zinc/46/82/81/812468281.db2.gz WPMHQEMJZUVOSV-BDAKNGLRSA-N 1 0 282.304 -0.309 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](C[NH3+])C1 ZINC001118139017 812476932 /nfs/dbraw/zinc/47/69/32/812476932.db2.gz ACMUBEKQDBSBMQ-SECBINFHSA-N 1 0 267.289 -0.093 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC1CC[NH2+]CC1 ZINC001118194387 812489539 /nfs/dbraw/zinc/48/95/39/812489539.db2.gz NSNNQFVYHMXPIR-UHFFFAOYSA-N 1 0 268.277 -0.698 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC001118195715 812490123 /nfs/dbraw/zinc/49/01/23/812490123.db2.gz PGTKQDFVOHVVBR-UHFFFAOYSA-N 1 0 268.277 -0.603 20 5 CBBDRO C[C@@H]1C[NH2+]CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118195581 812490298 /nfs/dbraw/zinc/49/02/98/812490298.db2.gz ODXWZEAGNSWALH-SECBINFHSA-N 1 0 280.284 -0.423 20 5 CBBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001158481792 815535671 /nfs/dbraw/zinc/53/56/71/815535671.db2.gz HNQPJZAABZTDBJ-VIFPVBQESA-N 1 0 297.315 -0.106 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC001118512152 812565491 /nfs/dbraw/zinc/56/54/91/812565491.db2.gz IGIGJIVVIHDNDQ-SNVBAGLBSA-N 1 0 253.262 -0.190 20 5 CBBDRO COc1nc(N2C[C@@H](OC)[C@@H]([NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001158705356 815543593 /nfs/dbraw/zinc/54/35/93/815543593.db2.gz JJRVEVJSQQSLNT-NKWVEPMBSA-N 1 0 299.287 -0.436 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]([NH3+])C2(COC2)C1 ZINC001158765508 815546083 /nfs/dbraw/zinc/54/60/83/815546083.db2.gz DDYJERDKFVGDEZ-JTQLQIEISA-N 1 0 280.284 -0.299 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(NCCN(C)CC[NH3+])n1 ZINC001159438125 815572650 /nfs/dbraw/zinc/57/26/50/815572650.db2.gz BRQRXPDDPRDQSN-UHFFFAOYSA-N 1 0 254.294 -0.004 20 5 CBBDRO CN(CC[NH3+])CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001159439386 815574070 /nfs/dbraw/zinc/57/40/70/815574070.db2.gz PZPHBAAHPDCUCA-UHFFFAOYSA-N 1 0 254.294 -0.126 20 5 CBBDRO Nc1cc(NCCOCCOCC[NH3+])ncc1[N+](=O)[O-] ZINC001159445234 815573694 /nfs/dbraw/zinc/57/36/94/815573694.db2.gz GZGGHRUIXBWPOO-UHFFFAOYSA-N 1 0 285.304 -0.024 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001122184474 813129321 /nfs/dbraw/zinc/12/93/21/813129321.db2.gz GIOKYKGOCGCWRD-IUCAKERBSA-N 1 0 265.273 -0.328 20 5 CBBDRO CC(=O)NCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001122667582 813183601 /nfs/dbraw/zinc/18/36/01/813183601.db2.gz HDJQAAFCIKIKTN-UHFFFAOYSA-N 1 0 294.311 -0.063 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1ncnc(OC)c1[N+](=O)[O-] ZINC001159864388 815601160 /nfs/dbraw/zinc/60/11/60/815601160.db2.gz TUQJIKPBELLWNN-UHFFFAOYSA-N 1 0 299.287 -0.278 20 5 CBBDRO COc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126932107 813695527 /nfs/dbraw/zinc/69/55/27/813695527.db2.gz IWLNBDPJIITKCO-GHMZBOCLSA-N 1 0 294.311 -0.039 20 5 CBBDRO O=C(NCC[NH2+]Cc1cccnc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932284 813695857 /nfs/dbraw/zinc/69/58/57/813695857.db2.gz QFSXLGNMJXPZRK-GHMZBOCLSA-N 1 0 264.285 -0.047 20 5 CBBDRO COCCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936289 813697416 /nfs/dbraw/zinc/69/74/16/813697416.db2.gz FKYGDBDIWIULKZ-NXEZZACHSA-N 1 0 275.305 -0.980 20 5 CBBDRO Cc1oncc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936444 813697788 /nfs/dbraw/zinc/69/77/88/813697788.db2.gz IEFRKHRDAURPGD-NXEZZACHSA-N 1 0 268.273 -0.146 20 5 CBBDRO C[NH+]1CCN(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001139589492 814624194 /nfs/dbraw/zinc/62/41/94/814624194.db2.gz FTCWTGUCHNTKOU-GHMZBOCLSA-N 1 0 268.317 -0.890 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159672972 815585003 /nfs/dbraw/zinc/58/50/03/815585003.db2.gz UDZRRZFJSVJIGK-OIBJUYFYSA-N 1 0 296.283 -0.231 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@H]2CO)n1 ZINC001159675040 815585972 /nfs/dbraw/zinc/58/59/72/815585972.db2.gz BGYWSSAASVXOQC-YUMQZZPRSA-N 1 0 283.288 -0.306 20 5 CBBDRO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001147350944 814890160 /nfs/dbraw/zinc/89/01/60/814890160.db2.gz DQDCNLOLHVOGJJ-SCZZXKLOSA-N 1 0 296.331 -0.318 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(-n2cc(C[NH3+])cnc2=N)n1 ZINC001161415691 815753407 /nfs/dbraw/zinc/75/34/07/815753407.db2.gz XFJBVVQEELHLCD-UHFFFAOYSA-N 1 0 261.245 -0.183 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1cccnc1[N+](=O)[O-] ZINC001162127279 815805276 /nfs/dbraw/zinc/80/52/76/815805276.db2.gz UBEOKMNSOBXRPB-UHFFFAOYSA-N 1 0 260.275 -0.286 20 5 CBBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162093469 815802864 /nfs/dbraw/zinc/80/28/64/815802864.db2.gz WRDMVFOFTPKHTO-JTQLQIEISA-N 1 0 295.343 -0.001 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1ncnc(Cl)c1[N+](=O)[O-] ZINC001162123957 815803726 /nfs/dbraw/zinc/80/37/26/815803726.db2.gz FMXWSBGVBYFANU-UHFFFAOYSA-N 1 0 295.708 -0.237 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001162129358 815805023 /nfs/dbraw/zinc/80/50/23/815805023.db2.gz WWLSCYPOVNSFSL-UHFFFAOYSA-N 1 0 299.312 -0.033 20 5 CBBDRO O=[N+]([O-])c1cnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc1 ZINC001163191737 815863481 /nfs/dbraw/zinc/86/34/81/815863481.db2.gz STBPNYUGKPPAGO-GMSGAONNSA-N 1 0 251.246 -0.072 20 5 CBBDRO NC(=O)c1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc1[N+](=O)[O-] ZINC001163191774 815863525 /nfs/dbraw/zinc/86/35/25/815863525.db2.gz TVWQHNVDYTZGNO-JMCQJSRRSA-N 1 0 293.283 -0.369 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2c[n+]([O-])ccc2[N+](=O)[O-])N1 ZINC001163249695 815872421 /nfs/dbraw/zinc/87/24/21/815872421.db2.gz LFEKXZLNTSXRGL-ONGXEEELSA-N 1 0 279.256 -0.782 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1F ZINC001163335944 815878010 /nfs/dbraw/zinc/87/80/10/815878010.db2.gz DNCKZQGBLSBTRZ-FWWHASMVSA-N 1 0 284.247 -0.092 20 5 CBBDRO COC(=O)[C@@H](CO)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163794673 815901179 /nfs/dbraw/zinc/90/11/79/815901179.db2.gz ZMDYHXWMUPVMGN-SSDOTTSWSA-N 1 0 297.271 -0.983 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001302818497 816759273 /nfs/dbraw/zinc/75/92/73/816759273.db2.gz TXAWRWFSIVNNNL-NSHDSACASA-N 1 0 283.288 -0.544 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001304085149 816778954 /nfs/dbraw/zinc/77/89/54/816778954.db2.gz RUUWFGUIVDFOGB-SSDOTTSWSA-N 1 0 281.272 -0.479 20 5 CBBDRO CC[C@@H](CO)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001307803182 816808919 /nfs/dbraw/zinc/80/89/19/816808919.db2.gz APHRNRDWLUDIIM-GXSJLCMTSA-N 1 0 272.305 -0.145 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC001308004772 816817717 /nfs/dbraw/zinc/81/77/17/816817717.db2.gz YNVQXCRWICINFY-ZJUUUORDSA-N 1 0 256.262 -0.781 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001308162970 816822698 /nfs/dbraw/zinc/82/26/98/816822698.db2.gz JXDJHJKIPRSBDC-QWRGUYRKSA-N 1 0 284.316 -0.286 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001317997161 817061154 /nfs/dbraw/zinc/06/11/54/817061154.db2.gz SSIZHSYTGCGMIM-VHSXEESVSA-N 1 0 294.315 -0.071 20 5 CBBDRO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001319607629 817225054 /nfs/dbraw/zinc/22/50/54/817225054.db2.gz OBSYNNDBDWQRTL-SECBINFHSA-N 1 0 296.331 -0.316 20 5 CBBDRO CCOC(=O)c1cnc(N(CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC001163827238 819854762 /nfs/dbraw/zinc/85/47/62/819854762.db2.gz AWWXGOSDMYFBGH-UHFFFAOYSA-N 1 0 298.299 -0.076 20 5 CBBDRO CNc1cc([N+](=O)[O-])cnc1N(CC[NH3+])CCO ZINC001163830095 819856889 /nfs/dbraw/zinc/85/68/89/819856889.db2.gz RYTXPSAZDFYFDE-UHFFFAOYSA-N 1 0 255.278 -0.211 20 5 CBBDRO NC(=O)c1ccnc(N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164280880 819897018 /nfs/dbraw/zinc/89/70/18/819897018.db2.gz KTBNTQVARVCFED-LURJTMIESA-N 1 0 251.246 -0.374 20 5 CBBDRO COc1cnc(N(C)S(=O)(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC001164292125 819901560 /nfs/dbraw/zinc/90/15/60/819901560.db2.gz DMLZCJBOPVMRFU-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO CN(c1cccc2ncc([N+](=O)[O-])n21)S(=O)(=O)CC[NH3+] ZINC001164299847 819904930 /nfs/dbraw/zinc/90/49/30/819904930.db2.gz ABXFEPISVQSZOW-UHFFFAOYSA-N 1 0 299.312 -0.033 20 5 CBBDRO CN(c1cnc(F)c([N+](=O)[O-])c1)S(=O)(=O)CC[NH3+] ZINC001164297378 819905414 /nfs/dbraw/zinc/90/54/14/819905414.db2.gz UTRJBOUAMRSONL-UHFFFAOYSA-N 1 0 278.265 -0.146 20 5 CBBDRO CN(c1cnc([N+](=O)[O-])cn1)S(=O)(=O)CC[NH3+] ZINC001164297322 819906446 /nfs/dbraw/zinc/90/64/46/819906446.db2.gz RIWMLMYTKMNAIH-UHFFFAOYSA-N 1 0 261.263 -0.891 20 5 CBBDRO NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164491072 819916718 /nfs/dbraw/zinc/91/67/18/819916718.db2.gz ZSRUQDICVIYRBE-RKDXNWHRSA-N 1 0 284.316 -0.987 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCOCC23C[NH2+]C3)c1 ZINC001165287684 819948773 /nfs/dbraw/zinc/94/87/73/819948773.db2.gz LKRHBXHMKVJZLW-UHFFFAOYSA-N 1 0 266.257 -0.593 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCOCC12C[NH2+]C2 ZINC001165288056 819948943 /nfs/dbraw/zinc/94/89/43/819948943.db2.gz BWUWFPMNHFJFMU-UHFFFAOYSA-N 1 0 280.284 -0.285 20 5 CBBDRO Cc1ccnc(N2CCNC(=O)C23C[NH2+]C3)c1[N+](=O)[O-] ZINC001165297151 819951169 /nfs/dbraw/zinc/95/11/69/819951169.db2.gz BBNRHFNKEQRHNJ-UHFFFAOYSA-N 1 0 277.284 -0.424 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001165438123 819963053 /nfs/dbraw/zinc/96/30/53/819963053.db2.gz DKWXWSZGYFPQJN-SECBINFHSA-N 1 0 281.272 -0.356 20 5 CBBDRO NC(=O)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001165613315 819975588 /nfs/dbraw/zinc/97/55/88/819975588.db2.gz LVOIENDCWUZPLX-UHFFFAOYSA-N 1 0 286.313 -0.263 20 5 CBBDRO COc1nc(N2CCO[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001166937623 820047738 /nfs/dbraw/zinc/04/77/38/820047738.db2.gz DFSNBQBDDGEMCZ-ZETCQYMHSA-N 1 0 269.261 -0.443 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001166966158 820053022 /nfs/dbraw/zinc/05/30/22/820053022.db2.gz CNMYKYILCUTBQV-SVRRBLITSA-N 1 0 281.272 -0.349 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncnc(OC)c1[N+](=O)[O-] ZINC001166962983 820053753 /nfs/dbraw/zinc/05/37/53/820053753.db2.gz CCFIORMBRCSBKB-RQJHMYQMSA-N 1 0 297.271 -0.528 20 5 CBBDRO [NH3+]CCc1nnn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])n1 ZINC001167788355 820117068 /nfs/dbraw/zinc/11/70/68/820117068.db2.gz ZOOLFGZMCJPABC-UHFFFAOYSA-N 1 0 285.651 -0.642 20 5 CBBDRO COc1nc(C)nc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001167790673 820118708 /nfs/dbraw/zinc/11/87/08/820118708.db2.gz AQWNHMMYXPDAKD-UHFFFAOYSA-N 1 0 280.248 -0.821 20 5 CBBDRO COc1cc(-n2nnc(CC[NH3+])n2)cnc1[N+](=O)[O-] ZINC001167791395 820118867 /nfs/dbraw/zinc/11/88/67/820118867.db2.gz AKOKTKVIDQFVIN-UHFFFAOYSA-N 1 0 265.233 -0.525 20 5 CBBDRO O=[N+]([O-])c1c(NC2(CO)COC2)ncnc1C1C[NH2+]C1 ZINC001168174214 820147487 /nfs/dbraw/zinc/14/74/87/820147487.db2.gz NXYPKKZUAHBPGS-UHFFFAOYSA-N 1 0 281.272 -0.755 20 5 CBBDRO CCOC(=O)c1cnc(-n2nnnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001168919026 820191593 /nfs/dbraw/zinc/19/15/93/820191593.db2.gz REBZGNZODYLPEG-UHFFFAOYSA-N 1 0 293.243 -0.399 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2nnnc2C[NH3+])n1 ZINC001168919000 820191800 /nfs/dbraw/zinc/19/18/00/820191800.db2.gz PYRLKDCMURJGGI-UHFFFAOYSA-N 1 0 279.216 -0.789 20 5 CBBDRO CCOC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168971353 820198043 /nfs/dbraw/zinc/19/80/43/820198043.db2.gz JOFLISULCAZKQP-VHSXEESVSA-N 1 0 287.316 -0.299 20 5 CBBDRO COC(=O)[C@H](CN)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977846 820199140 /nfs/dbraw/zinc/19/91/40/820199140.db2.gz MXKMTCPHIPHOQB-AEJSXWLSSA-N 1 0 259.306 -0.231 20 5 CBBDRO O=C1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C(=O)N1 ZINC001168975992 820198882 /nfs/dbraw/zinc/19/88/82/820198882.db2.gz YDMXYYUBJUGJAZ-VGMNWLOBSA-N 1 0 255.274 -0.173 20 5 CBBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998362 820200685 /nfs/dbraw/zinc/20/06/85/820200685.db2.gz LUHUHVFTQJOHAA-LPEHRKFASA-N 1 0 287.316 -0.301 20 5 CBBDRO COC(=O)CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168997902 820200834 /nfs/dbraw/zinc/20/08/34/820200834.db2.gz GISPNPOPZBAJLL-GUBZILKMSA-N 1 0 287.316 -0.172 20 5 CBBDRO CS(=O)(=O)N(C1C[NH2+]C1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033029 820201113 /nfs/dbraw/zinc/20/11/13/820201113.db2.gz BEEXEUTYKGPXFK-DTWKUNHWSA-N 1 0 277.346 -0.335 20 5 CBBDRO Cn1cc(-n2cncc2C[C@@H]([NH3+])CO)cc([N+](=O)[O-])c1=O ZINC001169073224 820204611 /nfs/dbraw/zinc/20/46/11/820204611.db2.gz DGEKVUPUIQVMTJ-MRVPVSSYSA-N 1 0 293.283 -0.659 20 5 CBBDRO Cc1c[n+]([O-])c(-n2nncc2C[NH3+])cc1[N+](=O)[O-] ZINC001169304117 820225117 /nfs/dbraw/zinc/22/51/17/820225117.db2.gz NMRNLJCWXCZVIA-UHFFFAOYSA-N 1 0 250.218 -0.424 20 5 CBBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)C(N)=O)c([N+](=O)[O-])c1 ZINC001170306609 820286574 /nfs/dbraw/zinc/28/65/74/820286574.db2.gz YMYKNZNNLKLXMF-LDYMZIIASA-N 1 0 297.311 -0.030 20 5 CBBDRO CN(CC[NH3+])CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001170498786 820296130 /nfs/dbraw/zinc/29/61/30/820296130.db2.gz ZZPAYNQRVQYBPL-UHFFFAOYSA-N 1 0 282.304 -0.609 20 5 CBBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)n1)[C@@H]1C[NH2+]CCO1 ZINC001170564565 820306154 /nfs/dbraw/zinc/30/61/54/820306154.db2.gz QGHSIZBVLIEVGX-CBAPKCEASA-N 1 0 295.299 -0.123 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170774038 820317623 /nfs/dbraw/zinc/31/76/23/820317623.db2.gz KWHPYHQBKIRZGJ-GMSGAONNSA-N 1 0 296.283 -0.231 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170774042 820318268 /nfs/dbraw/zinc/31/82/68/820318268.db2.gz KWHPYHQBKIRZGJ-XVKPBYJWSA-N 1 0 296.283 -0.231 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170775724 820319123 /nfs/dbraw/zinc/31/91/23/820319123.db2.gz YUHRPOREFNYJEA-HZGVNTEJSA-N 1 0 281.272 -0.919 20 5 CBBDRO Cn1cc(N[C@H]2C[NH2+]C[C@@H]2CO)cc([N+](=O)[O-])c1=O ZINC001170777437 820319649 /nfs/dbraw/zinc/31/96/49/820319649.db2.gz CLYDLOIJEDCUCP-APPZFPTMSA-N 1 0 268.273 -0.714 20 5 CBBDRO Cn1cc(N[C@H]2C[NH2+]C[C@H]2CO)cc([N+](=O)[O-])c1=O ZINC001170777438 820320012 /nfs/dbraw/zinc/32/00/12/820320012.db2.gz CLYDLOIJEDCUCP-CBAPKCEASA-N 1 0 268.273 -0.714 20 5 CBBDRO Cc1c[n+]([O-])c(N[C@H]2C[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001170780081 820322091 /nfs/dbraw/zinc/32/20/91/820322091.db2.gz ZRHWWMKQYHRIGS-IUCAKERBSA-N 1 0 268.273 -0.471 20 5 CBBDRO Nc1ccnc(N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170780499 820323041 /nfs/dbraw/zinc/32/30/41/820323041.db2.gz UIIUQKWHVXHRID-XPUUQOCRSA-N 1 0 253.262 -0.436 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170783712 820324761 /nfs/dbraw/zinc/32/47/61/820324761.db2.gz ZZIQGXPUKLMTSP-HTQZYQBOSA-N 1 0 268.273 -0.009 20 5 CBBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC001170871027 820330008 /nfs/dbraw/zinc/33/00/08/820330008.db2.gz YENQGVMBDRIMDB-RKDXNWHRSA-N 1 0 281.272 -0.052 20 5 CBBDRO Cn1cc(CN2CCC(CO)(CO)C2)c([N+](=O)[O-])n1 ZINC001171943326 820372063 /nfs/dbraw/zinc/37/20/63/820372063.db2.gz QGXGAWNDHLQWQA-UHFFFAOYSA-N 1 0 270.289 -0.495 20 5 CBBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(CO)(CO)CO ZINC001173216321 820400469 /nfs/dbraw/zinc/40/04/69/820400469.db2.gz IQUWKTLILMZVFB-SNVBAGLBSA-N 1 0 284.312 -0.169 20 5 CBBDRO CN(CC[N@H+](C)CCO)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001187024454 821210409 /nfs/dbraw/zinc/21/04/09/821210409.db2.gz FNXYZJPXPLMOHG-UHFFFAOYSA-N 1 0 297.315 -0.551 20 5 CBBDRO COCOCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224818917 825249151 /nfs/dbraw/zinc/24/91/51/825249151.db2.gz DKUMPLUHJMFVDB-SNVBAGLBSA-N 1 0 250.315 -0.393 20 5 CBBDRO Cc1nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(=O)[nH]1 ZINC001226510211 825280357 /nfs/dbraw/zinc/28/03/57/825280357.db2.gz JPSFMVMJCVMGEQ-SECBINFHSA-O 1 0 270.309 -0.147 20 5 CBBDRO COc1cncnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229394024 825330922 /nfs/dbraw/zinc/33/09/22/825330922.db2.gz JMMQZNDDTJIXHW-SECBINFHSA-N 1 0 270.309 -0.152 20 5 CBBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(N)=O ZINC001254549647 825965128 /nfs/dbraw/zinc/96/51/28/825965128.db2.gz VPUWUXLCTLCUEQ-VIFPVBQESA-N 1 0 294.311 -0.283 20 5 CBBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(N)=O ZINC001254549646 825965363 /nfs/dbraw/zinc/96/53/63/825965363.db2.gz VPUWUXLCTLCUEQ-SECBINFHSA-N 1 0 294.311 -0.283 20 5 CBBDRO NC(=O)CNC(=O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588682 825967689 /nfs/dbraw/zinc/96/76/89/825967689.db2.gz HUEVHDHHIAWRHZ-SNVBAGLBSA-N 1 0 292.295 -0.747 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCN1CC[NH2+]CC1 ZINC001261459756 826516748 /nfs/dbraw/zinc/51/67/48/826516748.db2.gz AVZDLFMSUMPIQG-UHFFFAOYSA-N 1 0 296.331 -0.647 20 5 CBBDRO CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268540924 827358628 /nfs/dbraw/zinc/35/86/28/827358628.db2.gz GMTHUZBYVKTZLM-HIHHVFROSA-N 1 0 284.316 -0.998 20 5 CBBDRO O=c1ccn(CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001349114503 890762525 /nfs/dbraw/zinc/76/25/25/890762525.db2.gz URJXTCLOAGUAOY-UHFFFAOYSA-N 1 0 252.274 -0.338 20 5 CBBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001329518839 886103846 /nfs/dbraw/zinc/10/38/46/886103846.db2.gz CMJGZYGSHIBLSG-NKWVEPMBSA-N 1 0 256.266 -0.572 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(C[NH+](C)C)C1 ZINC001331204498 886728124 /nfs/dbraw/zinc/72/81/24/886728124.db2.gz CAJQVLPOXNEYNL-UHFFFAOYSA-N 1 0 267.289 -0.038 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C[C@H]2CO)c1 ZINC001175678143 884695200 /nfs/dbraw/zinc/69/52/00/884695200.db2.gz MLDUXHNVKMTHGO-GXSJLCMTSA-N 1 0 268.273 -0.615 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001326046569 884886713 /nfs/dbraw/zinc/88/67/13/884886713.db2.gz GMVLQQITMXVBOZ-ZETCQYMHSA-N 1 0 253.262 -0.190 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001326305260 884980094 /nfs/dbraw/zinc/98/00/94/884980094.db2.gz DQLSDHWGYPXOSU-DTWKUNHWSA-N 1 0 280.288 -0.603 20 5 CBBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001326492362 885046733 /nfs/dbraw/zinc/04/67/33/885046733.db2.gz XWQTWDMTDDIWGL-QMMMGPOBSA-N 1 0 286.313 -0.041 20 5 CBBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001326584297 885074167 /nfs/dbraw/zinc/07/41/67/885074167.db2.gz VOQJFHDOAJATLD-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO C[NH2+][C@@H](C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001326582877 885074337 /nfs/dbraw/zinc/07/43/37/885074337.db2.gz UOBOGTABIPQJNI-ZETCQYMHSA-N 1 0 256.266 -0.700 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC1=CC[NH2+]CC1 ZINC001326594955 885076823 /nfs/dbraw/zinc/07/68/23/885076823.db2.gz CUPJJJUYYQDQOA-UHFFFAOYSA-N 1 0 266.261 -0.778 20 5 CBBDRO [NH3+]CCOCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326598309 885081408 /nfs/dbraw/zinc/08/14/08/885081408.db2.gz JXTMPBXXLRDIBE-UHFFFAOYSA-N 1 0 297.315 -0.070 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC001327023039 885230552 /nfs/dbraw/zinc/23/05/52/885230552.db2.gz TZPYNORYSMOHQS-ZETCQYMHSA-N 1 0 294.271 -0.091 20 5 CBBDRO CC[NH2+]CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001327073704 885243666 /nfs/dbraw/zinc/24/36/66/885243666.db2.gz PYGMFNXNQBETBW-UHFFFAOYSA-N 1 0 256.266 -0.698 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(CO)CC2)c1 ZINC001327548645 885401259 /nfs/dbraw/zinc/40/12/59/885401259.db2.gz JTYOXXAHHCYKSK-UHFFFAOYSA-N 1 0 270.289 -0.390 20 5 CBBDRO C[NH2+]C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001328477226 885702765 /nfs/dbraw/zinc/70/27/65/885702765.db2.gz GOJMZURARLJTMC-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO CN1CC[NH+](CC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001328720478 885789531 /nfs/dbraw/zinc/78/95/31/885789531.db2.gz BCWRGCRBOZFQOT-VXGBXAGGSA-N 1 0 282.344 -0.643 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001329348565 886026462 /nfs/dbraw/zinc/02/64/62/886026462.db2.gz FZXIRNKAVINBSX-BQBZGAKWSA-N 1 0 271.252 -0.242 20 5 CBBDRO CCC[NH2+]CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001329513669 886103559 /nfs/dbraw/zinc/10/35/59/886103559.db2.gz IRWFTUHVOHKIBF-UHFFFAOYSA-N 1 0 282.300 -0.128 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC001330216318 886394676 /nfs/dbraw/zinc/39/46/76/886394676.db2.gz YXRZQIMVFPLGAC-QMMMGPOBSA-N 1 0 283.288 -0.875 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001332241888 887168131 /nfs/dbraw/zinc/16/81/31/887168131.db2.gz HBYVBAISNIZUKY-BDINMYNLSA-N 1 0 251.246 -0.724 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC001332334549 887208527 /nfs/dbraw/zinc/20/85/27/887208527.db2.gz LTYGFSQZSHEWLQ-ATZCPNFKSA-N 1 0 267.289 -0.802 20 5 CBBDRO C[NH2+]C[C@H](C)c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC001332358350 887222711 /nfs/dbraw/zinc/22/27/11/887222711.db2.gz ICMPLYSGXOZVHJ-LURJTMIESA-N 1 0 267.249 -0.060 20 5 CBBDRO [NH3+]CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001332413515 887266181 /nfs/dbraw/zinc/26/61/81/887266181.db2.gz OEWHUZOZSYQZBW-UHFFFAOYSA-N 1 0 268.277 -0.616 20 5 CBBDRO [NH3+]C[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001332413851 887268736 /nfs/dbraw/zinc/26/87/36/887268736.db2.gz RBHFKNPDJADTLZ-MRVPVSSYSA-N 1 0 268.277 -0.616 20 5 CBBDRO O=[N+]([O-])CCN1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001333015857 887501779 /nfs/dbraw/zinc/50/17/79/887501779.db2.gz DCRANESWJYNRRY-SNVBAGLBSA-N 1 0 277.346 -0.237 20 5 CBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333353928 887608005 /nfs/dbraw/zinc/60/80/05/887608005.db2.gz GRMAKTNCFPFBQB-IUCAKERBSA-N 1 0 278.268 -0.671 20 5 CBBDRO CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+](C)CC1 ZINC001335245713 888466777 /nfs/dbraw/zinc/46/67/77/888466777.db2.gz ZXWJMSNFWSMHPT-UHFFFAOYSA-N 1 0 296.375 -0.030 20 5 CBBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342127826 889718327 /nfs/dbraw/zinc/71/83/27/889718327.db2.gz CCIDRILQFBZPSY-QMSLJYSESA-N 1 0 265.273 -0.382 20 5 CBBDRO C[C@@](C[NH3+])(NC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC001345596205 890143124 /nfs/dbraw/zinc/14/31/24/890143124.db2.gz BLINZTMQORQANS-JTQLQIEISA-N 1 0 268.277 -0.570 20 5 CBBDRO C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC(=O)N1 ZINC001345619366 890145924 /nfs/dbraw/zinc/14/59/24/890145924.db2.gz RESADNWSJQIVBO-ZYHUDNBSSA-N 1 0 297.315 -0.590 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cn(CC2CC[NH2+]CC2)c1=O ZINC001345781274 890165065 /nfs/dbraw/zinc/16/50/65/890165065.db2.gz OIMGOVXSHKYBEX-UHFFFAOYSA-N 1 0 280.284 -0.145 20 5 CBBDRO C[NH2+]C[C@H](C)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001346014053 890194729 /nfs/dbraw/zinc/19/47/29/890194729.db2.gz JZCMXPWAURWLHN-VIFPVBQESA-N 1 0 282.300 -0.272 20 5 CBBDRO O=C(COc1cccnc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC001349112279 890761557 /nfs/dbraw/zinc/76/15/57/890761557.db2.gz JLDVDKUJXGCCMQ-UHFFFAOYSA-N 1 0 266.257 -0.200 20 5 CBBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001351550549 891154137 /nfs/dbraw/zinc/15/41/37/891154137.db2.gz GNHNPLOYTVFMGZ-SNVBAGLBSA-N 1 0 292.295 -0.311 20 5 CBBDRO CN1CC[NH+](C2CCN(CC[N+](=O)[O-])CC2)CC1 ZINC001351572139 891158449 /nfs/dbraw/zinc/15/84/49/891158449.db2.gz QGPJVPJNKJRMSE-UHFFFAOYSA-N 1 0 256.350 -0.025 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NOC[C@@H](C)[NH3+] ZINC001354060462 891508100 /nfs/dbraw/zinc/50/81/00/891508100.db2.gz HUCSALHEDLCCGT-SSDOTTSWSA-N 1 0 271.277 -0.115 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001456295928 914458653 /nfs/dbraw/zinc/45/86/53/914458653.db2.gz KAUPIJAQAFVHFJ-VIFPVBQESA-N 1 0 295.299 -0.619 20 5 CBBDRO O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001506883400 921634133 /nfs/dbraw/zinc/63/41/33/921634133.db2.gz GFOWNXZRKFRRBS-ZYUZMQFOSA-N 1 0 257.290 -0.872 20 5 CBBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001439895916 911308274 /nfs/dbraw/zinc/30/82/74/911308274.db2.gz UXMQYBCKQNJHNC-SECBINFHSA-N 1 0 282.304 -0.213 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)n1 ZINC001468606148 915316607 /nfs/dbraw/zinc/31/66/07/915316607.db2.gz OYXPCARHQKRFNO-SECBINFHSA-N 1 0 297.315 -0.485 20 5 CBBDRO C[NH+]1CCC(N(CCO)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001469563872 915411343 /nfs/dbraw/zinc/41/13/43/915411343.db2.gz BTZNLKBYUPRYCE-UHFFFAOYSA-N 1 0 297.315 -0.153 20 5 CBBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472084061 915692082 /nfs/dbraw/zinc/69/20/82/915692082.db2.gz YRBTUHCNBOBBSU-ZETCQYMHSA-N 1 0 281.272 -0.479 20 5 CBBDRO Cn1nccc1CC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480862900 916587125 /nfs/dbraw/zinc/58/71/25/916587125.db2.gz HMHOSYJZYQRSFY-VXGBXAGGSA-N 1 0 295.343 -0.324 20 5 CBBDRO NC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001481998099 917028776 /nfs/dbraw/zinc/02/87/76/917028776.db2.gz JXNMLPFDBSALQI-GHMZBOCLSA-N 1 0 298.343 -0.645 20 5 CBBDRO CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001488729430 918763360 /nfs/dbraw/zinc/76/33/60/918763360.db2.gz HPNDIWWUWQPGFR-LMLFDSFASA-N 1 0 298.343 -0.776 20 5 CBBDRO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001544139059 923298249 /nfs/dbraw/zinc/29/82/49/923298249.db2.gz JHNYCYIFKPTNEV-PSASIEDQSA-N 1 0 296.331 -0.318 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001558042886 924146785 /nfs/dbraw/zinc/14/67/85/924146785.db2.gz IBOHERCVGMGBBS-GFCCVEGCSA-N 1 0 297.315 -0.533 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2CO)c1 ZINC000266561543 230193234 /nfs/dbraw/zinc/19/32/34/230193234.db2.gz XSIBUVVPAZYNGT-GXSJLCMTSA-N 1 0 270.289 -0.391 20 5 CBBDRO C[N@H+](CCOCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337487384 214114641 /nfs/dbraw/zinc/11/46/41/214114641.db2.gz JHHCGEQRHZFULV-LLVKDONJSA-N 1 0 288.304 -0.907 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[NH+]1CCC1 ZINC000337574120 214163507 /nfs/dbraw/zinc/16/35/07/214163507.db2.gz FFNNZWYMTNUFAW-UHFFFAOYSA-N 1 0 253.262 -0.387 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[NH+]1CCC1 ZINC000337598880 214175261 /nfs/dbraw/zinc/17/52/61/214175261.db2.gz QNJWYQHLABXPGO-UHFFFAOYSA-N 1 0 280.284 -0.422 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000274489676 352538972 /nfs/dbraw/zinc/53/89/72/352538972.db2.gz BPQHJYVPCDOTQV-UHFFFAOYSA-N 1 0 299.331 -0.470 20 5 CBBDRO CN1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000084086987 282684257 /nfs/dbraw/zinc/68/42/57/282684257.db2.gz TXYZCPDKVNRCBX-GXSJLCMTSA-N 1 0 297.315 -0.637 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000339782176 215337750 /nfs/dbraw/zinc/33/77/50/215337750.db2.gz WXKGXNOSZBQAGF-NWDGAFQWSA-N 1 0 284.316 -0.001 20 5 CBBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037668501 351402555 /nfs/dbraw/zinc/40/25/55/351402555.db2.gz POHDPCZDTWUIJU-MNOVXSKESA-N 1 0 265.269 -0.066 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000044721356 351446208 /nfs/dbraw/zinc/44/62/08/351446208.db2.gz DQZBFELZIMSSQJ-GWCFXTLKSA-N 1 0 295.343 -0.022 20 5 CBBDRO COC[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037875212 351410003 /nfs/dbraw/zinc/41/00/03/351410003.db2.gz MKGNXYGJCLIBFP-PSASIEDQSA-N 1 0 258.278 -0.223 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000037882053 351410373 /nfs/dbraw/zinc/41/03/73/351410373.db2.gz BYTAMAXDRVHIEN-WDEREUQCSA-N 1 0 270.289 -0.079 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+]CC1 ZINC000057878212 351556663 /nfs/dbraw/zinc/55/66/63/351556663.db2.gz RHMOEKAAPPYCTH-UHFFFAOYSA-N 1 0 266.257 -0.812 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)C2CC2)c1 ZINC000071304729 351643116 /nfs/dbraw/zinc/64/31/16/351643116.db2.gz LULOMGOMDYMRDL-MNOVXSKESA-N 1 0 270.289 -0.487 20 5 CBBDRO CC[N@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075714359 351670262 /nfs/dbraw/zinc/67/02/62/351670262.db2.gz CZJCPWSKSWAYGE-SNVBAGLBSA-N 1 0 258.278 -0.534 20 5 CBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)nc1 ZINC000095091928 351767596 /nfs/dbraw/zinc/76/75/96/351767596.db2.gz KRZFDGLIDPHKAJ-SSDOTTSWSA-N 1 0 272.286 -0.370 20 5 CBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)CO)cc1 ZINC000095082616 351767772 /nfs/dbraw/zinc/76/77/72/351767772.db2.gz DOASXPUDFCLNMD-QWRGUYRKSA-N 1 0 256.258 -0.429 20 5 CBBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C[NH3+])C1 ZINC000122610815 351852349 /nfs/dbraw/zinc/85/23/49/351852349.db2.gz OWSUKRLTPXJKFH-SECBINFHSA-N 1 0 267.289 -0.362 20 5 CBBDRO Cn1cc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000149015956 351930151 /nfs/dbraw/zinc/93/01/51/351930151.db2.gz YEYAMWXHHXRTML-GFCCVEGCSA-N 1 0 294.315 -0.282 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000134252828 351904203 /nfs/dbraw/zinc/90/42/03/351904203.db2.gz CSIBFVWZGBGGMT-SECBINFHSA-N 1 0 268.273 -0.349 20 5 CBBDRO Cn1c(C(=O)NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000134255634 351904799 /nfs/dbraw/zinc/90/47/99/351904799.db2.gz XTAFYVFQGYBXSR-MRVPVSSYSA-N 1 0 268.273 -0.349 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000171127102 352007698 /nfs/dbraw/zinc/00/76/98/352007698.db2.gz GCULOLAKMGCCBY-UHFFFAOYSA-N 1 0 299.331 -0.124 20 5 CBBDRO Cn1c(C(=O)N2CCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000165595854 351985301 /nfs/dbraw/zinc/98/53/01/351985301.db2.gz JRNHUILCBARUEV-MRVPVSSYSA-N 1 0 268.273 -0.267 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000165550067 351985858 /nfs/dbraw/zinc/98/58/58/351985858.db2.gz KXJUBVGXICHTDR-QMMMGPOBSA-N 1 0 254.246 -0.277 20 5 CBBDRO CC(C)NC(=O)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174708180 352049361 /nfs/dbraw/zinc/04/93/61/352049361.db2.gz PNXFGDJRFXOHRA-LLVKDONJSA-N 1 0 299.331 -0.391 20 5 CBBDRO CCCC[N@@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173537828 352037657 /nfs/dbraw/zinc/03/76/57/352037657.db2.gz XVTQNVMAPZYHRG-NSHDSACASA-N 1 0 299.331 -0.260 20 5 CBBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000185130921 352115526 /nfs/dbraw/zinc/11/55/26/352115526.db2.gz GDIMCROPUZEUFC-IEBDPFPHSA-N 1 0 279.300 -0.013 20 5 CBBDRO C[C@@H](O)C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000189358682 352168075 /nfs/dbraw/zinc/16/80/75/352168075.db2.gz LLWFTHMDOWGDKD-LLVKDONJSA-N 1 0 283.332 -0.210 20 5 CBBDRO C[NH+](C)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188041997 352146675 /nfs/dbraw/zinc/14/66/75/352146675.db2.gz UNFSNWNTBPWKQB-UHFFFAOYSA-N 1 0 254.246 -0.013 20 5 CBBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000193570211 352206687 /nfs/dbraw/zinc/20/66/87/352206687.db2.gz PIXGFPIMSZSDMY-WPRPVWTQSA-N 1 0 267.289 -0.095 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000227691062 352258680 /nfs/dbraw/zinc/25/86/80/352258680.db2.gz PKTZYNWMZWIIKH-YUSALJHKSA-N 1 0 284.316 -0.097 20 5 CBBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228861969 352266234 /nfs/dbraw/zinc/26/62/34/352266234.db2.gz ZFBPEIJYJDYRFR-OUAUKWLOSA-N 1 0 284.316 -0.099 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000133011218 187659636 /nfs/dbraw/zinc/65/96/36/187659636.db2.gz ADMVVPHSAZPPHS-LBPRGKRZSA-N 1 0 297.315 -0.187 20 5 CBBDRO O=C(C[NH2+]C1CC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000238166012 352314574 /nfs/dbraw/zinc/31/45/74/352314574.db2.gz CROMFZBBTIPHRA-UHFFFAOYSA-N 1 0 253.262 -0.341 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000246692767 352337680 /nfs/dbraw/zinc/33/76/80/352337680.db2.gz IOBVTAHBCCELMF-GHMZBOCLSA-N 1 0 270.289 -0.391 20 5 CBBDRO CCC[NH2+]CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000261794576 352396815 /nfs/dbraw/zinc/39/68/15/352396815.db2.gz IJUTUHFAVACSSM-UHFFFAOYSA-N 1 0 256.266 -0.698 20 5 CBBDRO [NH3+][C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000261961872 352402073 /nfs/dbraw/zinc/40/20/73/352402073.db2.gz RYYRDEZZLINUIA-MRVPVSSYSA-N 1 0 253.262 -0.355 20 5 CBBDRO C[NH2+][C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000269144530 352463191 /nfs/dbraw/zinc/46/31/91/352463191.db2.gz XUUFSDNKWQEYID-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO CCc1n[nH]c(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000269908322 352483148 /nfs/dbraw/zinc/48/31/48/352483148.db2.gz OLMLWOCVGQQHSB-GFCCVEGCSA-N 1 0 299.331 -0.077 20 5 CBBDRO CCc1n[nH]c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000269908326 352483883 /nfs/dbraw/zinc/48/38/83/352483883.db2.gz OLMLWOCVGQQHSB-LBPRGKRZSA-N 1 0 299.331 -0.077 20 5 CBBDRO COc1cc(C[NH2+]C[C@H](O)CO)c([N+](=O)[O-])cc1O ZINC000276704294 352560978 /nfs/dbraw/zinc/56/09/78/352560978.db2.gz FRYKCWJDVKQTHQ-QMMMGPOBSA-N 1 0 272.257 -0.248 20 5 CBBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000279690729 352585124 /nfs/dbraw/zinc/58/51/24/352585124.db2.gz GBSAQVXVZXYOPY-QWRGUYRKSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1O ZINC000286580536 352646895 /nfs/dbraw/zinc/64/68/95/352646895.db2.gz QEMYBLCNIUGYTB-QJPTWQEYSA-N 1 0 284.316 -0.003 20 5 CBBDRO COC[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)OC ZINC000300562856 352733818 /nfs/dbraw/zinc/73/38/18/352733818.db2.gz CVKGAJNIZCEQDG-MNOVXSKESA-N 1 0 288.304 -0.597 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000330403384 352820072 /nfs/dbraw/zinc/82/00/72/352820072.db2.gz BYJJXERTCMSEHA-ZJUUUORDSA-N 1 0 256.262 -0.781 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(CO)CCOCC2)c1 ZINC000330970347 352861281 /nfs/dbraw/zinc/86/12/81/352861281.db2.gz CGGJSPOTHYVSTN-UHFFFAOYSA-N 1 0 270.289 -0.078 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)CC2CC2)c1 ZINC000352469827 353486810 /nfs/dbraw/zinc/48/68/10/353486810.db2.gz ZOEQUSXEQDOEGB-LBPRGKRZSA-N 1 0 284.316 -0.144 20 5 CBBDRO C[NH+](C)CCOCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000349744426 353462298 /nfs/dbraw/zinc/46/22/98/353462298.db2.gz MKSWDIGEQCYWNH-UHFFFAOYSA-N 1 0 285.304 -0.514 20 5 CBBDRO CC[NH2+]CCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000353218363 353529293 /nfs/dbraw/zinc/52/92/93/353529293.db2.gz OADCFRVJMNAHQZ-UHFFFAOYSA-N 1 0 291.333 -0.301 20 5 CBBDRO Cn1c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358046028 353621601 /nfs/dbraw/zinc/62/16/01/353621601.db2.gz KBTCZWIFLDSBRV-LBPRGKRZSA-N 1 0 282.300 -0.270 20 5 CBBDRO CC1=CC[N@H+](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000358062982 353623530 /nfs/dbraw/zinc/62/35/30/353623530.db2.gz IMHLUMHMIKDNRK-UHFFFAOYSA-N 1 0 294.315 -0.046 20 5 CBBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000371597495 353703970 /nfs/dbraw/zinc/70/39/70/353703970.db2.gz QNNFJNROQVMJEB-FRRDWIJNSA-N 1 0 296.371 -0.110 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405328861 353807286 /nfs/dbraw/zinc/80/72/86/353807286.db2.gz YLSPKETWGKBZML-GXSJLCMTSA-N 1 0 295.299 -0.931 20 5 CBBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408152498 353859510 /nfs/dbraw/zinc/85/95/10/353859510.db2.gz AUQNKKYGDPQHIY-ZJUUUORDSA-N 1 0 294.315 -0.119 20 5 CBBDRO C[NH2+]CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422779413 354154571 /nfs/dbraw/zinc/15/45/71/354154571.db2.gz IPYKYVUVYUEZHD-UHFFFAOYSA-N 1 0 294.311 -0.031 20 5 CBBDRO CCn1cc(S(=O)(=O)NC[C@H](C)C[NH3+])c([N+](=O)[O-])n1 ZINC000447239505 354293325 /nfs/dbraw/zinc/29/33/25/354293325.db2.gz NICXVXRROIWVII-SSDOTTSWSA-N 1 0 291.333 -0.316 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)[C@H]2CCCO2)n1 ZINC000447921926 354309365 /nfs/dbraw/zinc/30/93/65/354309365.db2.gz NBGJUSNCGNQWIC-NXEZZACHSA-N 1 0 270.289 -0.079 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445207102 354281111 /nfs/dbraw/zinc/28/11/11/354281111.db2.gz BTWBDDAQXJXPGG-LBPRGKRZSA-N 1 0 296.283 -0.508 20 5 CBBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000451289429 354335882 /nfs/dbraw/zinc/33/58/82/354335882.db2.gz WDGSRGJFHBFCJQ-LLVKDONJSA-N 1 0 270.289 -0.127 20 5 CBBDRO CN(CCC[NH+](C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000538316459 354613027 /nfs/dbraw/zinc/61/30/27/354613027.db2.gz WOUQCQKUSSCHSK-UHFFFAOYSA-N 1 0 270.293 -0.404 20 5 CBBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000563820644 354706023 /nfs/dbraw/zinc/70/60/23/354706023.db2.gz XUEKIHUMDBTGBA-GFCCVEGCSA-N 1 0 295.299 -0.496 20 5 CBBDRO COCC[NH2+]CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000564083428 354709805 /nfs/dbraw/zinc/70/98/05/354709805.db2.gz JWAGLJHIVKBMQI-UHFFFAOYSA-N 1 0 257.250 -0.716 20 5 CBBDRO CO[C@@H](C[NH3+])CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000565595750 354741598 /nfs/dbraw/zinc/74/15/98/354741598.db2.gz FKQQJQPWPYELTC-SECBINFHSA-N 1 0 271.277 -0.729 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[NH2+]CCCO1 ZINC000568629596 354828462 /nfs/dbraw/zinc/82/84/62/354828462.db2.gz JJPFJMYSSGSFTN-LLVKDONJSA-N 1 0 297.315 -0.324 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)n1 ZINC000571059010 354875632 /nfs/dbraw/zinc/87/56/32/354875632.db2.gz GTZSYUYATHMCPI-WPRPVWTQSA-N 1 0 297.315 -0.442 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000569358661 354843107 /nfs/dbraw/zinc/84/31/07/354843107.db2.gz FYQFGZBAIWBZBH-SFYZADRCSA-N 1 0 265.273 -0.001 20 5 CBBDRO [NH3+][C@H]1C[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702586 354878888 /nfs/dbraw/zinc/87/88/88/354878888.db2.gz NMXGHLKRVDNQGH-ONGXEEELSA-N 1 0 294.315 -0.965 20 5 CBBDRO O=C(C[C@@H]1COCC[NH2+]1)NCCn1cc([N+](=O)[O-])cn1 ZINC000573083439 354903956 /nfs/dbraw/zinc/90/39/56/354903956.db2.gz NDSWMZMCWJJHOA-SECBINFHSA-N 1 0 283.288 -0.714 20 5 CBBDRO CC[NH2+]CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000575401696 354935226 /nfs/dbraw/zinc/93/52/26/354935226.db2.gz IHRRIXXARODYRJ-UHFFFAOYSA-N 1 0 282.300 -0.128 20 5 CBBDRO [NH3+][C@H]1C[C@H]2CN(c3ncccc3[N+](=O)[O-])CCN2C1=O ZINC000578787363 354955627 /nfs/dbraw/zinc/95/56/27/354955627.db2.gz MHXXJTGEGNADMQ-IUCAKERBSA-N 1 0 277.284 -0.262 20 5 CBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000582419754 355015915 /nfs/dbraw/zinc/01/59/15/355015915.db2.gz FVRJPUOVYYTURX-LURJTMIESA-N 1 0 255.234 -0.964 20 5 CBBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590044092 355073747 /nfs/dbraw/zinc/07/37/47/355073747.db2.gz GYCRAVMTCBZOMU-GXSJLCMTSA-N 1 0 279.300 -0.046 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000588863774 355062077 /nfs/dbraw/zinc/06/20/77/355062077.db2.gz KQXACLGOBMCGOR-QMMMGPOBSA-N 1 0 282.300 -0.171 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000588863811 355062270 /nfs/dbraw/zinc/06/22/70/355062270.db2.gz VLDRCNDQHPKCTO-SECBINFHSA-N 1 0 285.304 -0.862 20 5 CBBDRO C[NH+](C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000589102096 355064676 /nfs/dbraw/zinc/06/46/76/355064676.db2.gz ZQNSGMPITWOSGQ-SSDOTTSWSA-N 1 0 283.288 -0.577 20 5 CBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000591985801 355123969 /nfs/dbraw/zinc/12/39/69/355123969.db2.gz SJNKJQXZQWJIKC-VIFPVBQESA-N 1 0 294.315 -0.059 20 5 CBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1c([N+](=O)[O-])ncn1C ZINC000591982691 355124036 /nfs/dbraw/zinc/12/40/36/355124036.db2.gz PVALMENUXHNDAA-VIFPVBQESA-N 1 0 296.331 -0.116 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000592551676 355161480 /nfs/dbraw/zinc/16/14/80/355161480.db2.gz KPHDGDDZSPDIIQ-SECBINFHSA-N 1 0 296.283 -0.100 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cn(CC2C[NH2+]C2)c1=O ZINC000592158846 355135914 /nfs/dbraw/zinc/13/59/14/355135914.db2.gz WPKZVXXYAQIOPK-UHFFFAOYSA-N 1 0 267.241 -0.238 20 5 CBBDRO O=C(NCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592289860 355146464 /nfs/dbraw/zinc/14/64/64/355146464.db2.gz NRMLSWHXLBWBNM-UHFFFAOYSA-N 1 0 295.299 -0.670 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCN(C)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000592309009 355147257 /nfs/dbraw/zinc/14/72/57/355147257.db2.gz NBZCPEFHMQMWPC-MRVPVSSYSA-N 1 0 282.304 -0.659 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000592308398 355147329 /nfs/dbraw/zinc/14/73/29/355147329.db2.gz LIUIEOGZDDNTNE-HTRCEHHLSA-N 1 0 269.261 -0.494 20 5 CBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1C[NH2+]C1 ZINC000592368505 355149903 /nfs/dbraw/zinc/14/99/03/355149903.db2.gz ROLCHGXEJWFHGI-UHFFFAOYSA-N 1 0 287.297 -0.147 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000592985021 355188750 /nfs/dbraw/zinc/18/87/50/355188750.db2.gz ZZVDNRKPXPQWIH-LLVKDONJSA-N 1 0 297.315 -0.372 20 5 CBBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593061567 355191322 /nfs/dbraw/zinc/19/13/22/355191322.db2.gz SLWRDLKAOZRQJO-VHSXEESVSA-N 1 0 270.289 -0.127 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593907512 355227170 /nfs/dbraw/zinc/22/71/70/355227170.db2.gz REAAXEDXCXYWEO-CABZTGNLSA-N 1 0 295.299 -0.857 20 5 CBBDRO O=[N+]([O-])c1cnn(CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594026637 355235421 /nfs/dbraw/zinc/23/54/21/355235421.db2.gz GCWZAQAYJHSAIE-CMPLNLGQSA-N 1 0 281.316 -0.458 20 5 CBBDRO C[C@@H](O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000594064153 355236053 /nfs/dbraw/zinc/23/60/53/355236053.db2.gz KZRRLDACWPUBBA-BXKDBHETSA-N 1 0 284.316 -0.003 20 5 CBBDRO [NH3+][C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1F ZINC000595260600 355275248 /nfs/dbraw/zinc/27/52/48/355275248.db2.gz FHNPDGFRQFBEMG-RKDXNWHRSA-N 1 0 271.252 -0.311 20 5 CBBDRO CN(CCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595102620 355271255 /nfs/dbraw/zinc/27/12/55/355271255.db2.gz OOTHNLMWZXQGBC-UHFFFAOYSA-N 1 0 274.302 -0.041 20 5 CBBDRO C[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595107231 355271667 /nfs/dbraw/zinc/27/16/67/355271667.db2.gz GNWVJOLQHBGPJE-ZCFIWIBFSA-N 1 0 260.275 -0.385 20 5 CBBDRO C[C@]1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC000595993167 355337304 /nfs/dbraw/zinc/33/73/04/355337304.db2.gz WFWMCXZKSQJOSO-JTQLQIEISA-N 1 0 253.262 -0.341 20 5 CBBDRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595765595 355305714 /nfs/dbraw/zinc/30/57/14/355305714.db2.gz JQRKEAHDYVJREI-ZMLRMANQSA-N 1 0 284.316 -0.003 20 5 CBBDRO [NH3+]CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)CO ZINC000595901129 355315934 /nfs/dbraw/zinc/31/59/34/355315934.db2.gz ARICZJFJUJWFAX-LBPRGKRZSA-N 1 0 299.327 -0.413 20 5 CBBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(O)C[NH2+]C1 ZINC000595926409 355319342 /nfs/dbraw/zinc/31/93/42/355319342.db2.gz FBKAFNBSMRPLTQ-UHFFFAOYSA-N 1 0 265.269 -0.113 20 5 CBBDRO COC(=O)c1cc(NC(=O)C2(O)C[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595928369 355319842 /nfs/dbraw/zinc/31/98/42/355319842.db2.gz CDOLRYVRTHLJRA-UHFFFAOYSA-N 1 0 295.251 -0.346 20 5 CBBDRO COc1ccc(NC(=O)C2(O)C[NH2+]C2)cc1[N+](=O)[O-] ZINC000595950189 355326017 /nfs/dbraw/zinc/32/60/17/355326017.db2.gz CCHFTAPRZLXHFM-UHFFFAOYSA-N 1 0 267.241 -0.124 20 5 CBBDRO C[C@@]1(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC000597430899 355386157 /nfs/dbraw/zinc/38/61/57/355386157.db2.gz BCTCZBGNDHJZDB-LLVKDONJSA-N 1 0 282.304 -0.158 20 5 CBBDRO Nc1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc1[N+](=O)[O-] ZINC000596013651 355338708 /nfs/dbraw/zinc/33/87/08/355338708.db2.gz ITVYQHDBMIGKBY-IONNQARKSA-N 1 0 292.299 -0.680 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCOC2(C[NH2+]C2)C1 ZINC000596106110 355343904 /nfs/dbraw/zinc/34/39/04/355343904.db2.gz OPVQOQLZBZOCCX-UHFFFAOYSA-N 1 0 267.245 -0.868 20 5 CBBDRO C[NH+](C)[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1O ZINC000596242594 355350540 /nfs/dbraw/zinc/35/05/40/355350540.db2.gz YSJLSQNRPXYTSV-IUCAKERBSA-N 1 0 268.273 -0.194 20 5 CBBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1c([N+](=O)[O-])ncn1C ZINC000596463818 355357517 /nfs/dbraw/zinc/35/75/17/355357517.db2.gz SSQBLNQCWIOZCE-UHFFFAOYSA-N 1 0 298.347 -0.216 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000597623597 355401983 /nfs/dbraw/zinc/40/19/83/355401983.db2.gz BFJOGXPGYPGNDW-VIFPVBQESA-N 1 0 294.315 -0.562 20 5 CBBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000598670282 355449913 /nfs/dbraw/zinc/44/99/13/355449913.db2.gz TVCFVRWCSLEROW-GZMMTYOYSA-N 1 0 280.288 -0.474 20 5 CBBDRO C[NH2+]CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598916421 355456244 /nfs/dbraw/zinc/45/62/44/355456244.db2.gz YNUWECZGVPLGDR-UHFFFAOYSA-N 1 0 266.257 -0.131 20 5 CBBDRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097337 355463337 /nfs/dbraw/zinc/46/33/37/355463337.db2.gz BXOIQWWGYWAGHP-BQBZGAKWSA-N 1 0 289.317 -0.562 20 5 CBBDRO C[NH2+]CCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599100796 355464194 /nfs/dbraw/zinc/46/41/94/355464194.db2.gz OPIDNEOQJATXPN-UHFFFAOYSA-N 1 0 291.333 -0.442 20 5 CBBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098702 355464258 /nfs/dbraw/zinc/46/42/58/355464258.db2.gz YPPGHXXMGDFKQD-SSDOTTSWSA-N 1 0 291.333 -0.410 20 5 CBBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599106922 355464315 /nfs/dbraw/zinc/46/43/15/355464315.db2.gz ISMFZSZIRAEGOD-LURJTMIESA-N 1 0 277.306 -0.656 20 5 CBBDRO [NH3+]CCCOCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599609833 355504180 /nfs/dbraw/zinc/50/41/80/355504180.db2.gz BPVTVEVKJLIYJN-UHFFFAOYSA-N 1 0 283.288 -0.101 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000600698984 355561432 /nfs/dbraw/zinc/56/14/32/355561432.db2.gz HECSTJNKQUFAMS-VIFPVBQESA-N 1 0 268.273 -0.281 20 5 CBBDRO Cc1n[nH]c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809575 355566940 /nfs/dbraw/zinc/56/69/40/355566940.db2.gz VALVALKRCBRICH-QMMMGPOBSA-N 1 0 283.288 -0.577 20 5 CBBDRO COCC[N@H+](C)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601966314 355623138 /nfs/dbraw/zinc/62/31/38/355623138.db2.gz ZFMMKLDKFPKXCQ-SECBINFHSA-N 1 0 258.278 -0.270 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601973329 355623769 /nfs/dbraw/zinc/62/37/69/355623769.db2.gz KMSUOHVKUNXNAZ-UMNHJUIQSA-N 1 0 282.300 -0.270 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCO1 ZINC000603430131 355715146 /nfs/dbraw/zinc/71/51/46/355715146.db2.gz SWFWDGZHXBDSIM-WCBMZHEXSA-N 1 0 269.305 -0.124 20 5 CBBDRO Cn1cc(CN2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430580 355715361 /nfs/dbraw/zinc/71/53/61/355715361.db2.gz TXJITZAYXATUIP-JTQLQIEISA-N 1 0 269.305 -0.122 20 5 CBBDRO C[N@@H+]1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000609257910 355766736 /nfs/dbraw/zinc/76/67/36/355766736.db2.gz RXRLTBNWXDCAMK-QMMMGPOBSA-N 1 0 268.277 -0.603 20 5 CBBDRO CC[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000341797414 216108859 /nfs/dbraw/zinc/10/88/59/216108859.db2.gz KVNYFOULJOQQAZ-VIFPVBQESA-N 1 0 282.304 -0.261 20 5 CBBDRO C[C@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178496224 189121138 /nfs/dbraw/zinc/12/11/38/189121138.db2.gz XRARRZUEQIKSFC-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[C@H]([NH3+])CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000178688968 189137700 /nfs/dbraw/zinc/13/77/00/189137700.db2.gz SEEBJRLZZFYXMZ-QMMMGPOBSA-N 1 0 268.273 -0.390 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCC[NH2+]1 ZINC000178779174 189145280 /nfs/dbraw/zinc/14/52/80/189145280.db2.gz GAXHOPKYASRBJD-VIFPVBQESA-N 1 0 280.284 -0.375 20 5 CBBDRO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[NH2+]C1 ZINC000179050124 189164991 /nfs/dbraw/zinc/16/49/91/189164991.db2.gz HRNXMLCODUYZBA-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000179180202 189175392 /nfs/dbraw/zinc/17/53/92/189175392.db2.gz LBNFFWFBRZETRG-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[NH+](C)C ZINC000550604086 283956587 /nfs/dbraw/zinc/95/65/87/283956587.db2.gz FPJJQEBMAQYLHO-QMMMGPOBSA-N 1 0 298.299 -0.016 20 5 CBBDRO CCn1cc(S(=O)(=O)NCCC[NH3+])c([N+](=O)[O-])n1 ZINC000353270145 220000774 /nfs/dbraw/zinc/00/07/74/220000774.db2.gz ZVRQTZZKXCSCHZ-UHFFFAOYSA-N 1 0 277.306 -0.562 20 5 CBBDRO Cc1nn(C)c(C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000330622839 203051821 /nfs/dbraw/zinc/05/18/21/203051821.db2.gz DFIRBFZEAUSKPE-UHFFFAOYSA-N 1 0 255.278 -0.072 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000330650997 203079904 /nfs/dbraw/zinc/07/99/04/203079904.db2.gz JYUSCFYZWGVLFX-VIFPVBQESA-N 1 0 297.315 -0.269 20 5 CBBDRO CC[N@@H+]1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330662290 203091395 /nfs/dbraw/zinc/09/13/95/203091395.db2.gz SHDRNJBQUCFCTO-VIFPVBQESA-N 1 0 282.304 -0.213 20 5 CBBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000330708098 203137558 /nfs/dbraw/zinc/13/75/58/203137558.db2.gz MYIXBKOXUJHKAH-VIFPVBQESA-N 1 0 267.289 -0.141 20 5 CBBDRO C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330755449 203193830 /nfs/dbraw/zinc/19/38/30/203193830.db2.gz JYNLVIXFSVDWMS-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330804730 203256635 /nfs/dbraw/zinc/25/66/35/203256635.db2.gz LFEKFESFSDJNKC-SNVBAGLBSA-N 1 0 296.331 -0.014 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331623638 204020443 /nfs/dbraw/zinc/02/04/43/204020443.db2.gz HCOBVCJEAAOKIO-VHSXEESVSA-N 1 0 294.315 -0.071 20 5 CBBDRO CCn1cc(S(=O)(=O)NCC(C)(C)[NH3+])c([N+](=O)[O-])n1 ZINC000353459423 220094871 /nfs/dbraw/zinc/09/48/71/220094871.db2.gz TXQNQGCXSMRGLO-UHFFFAOYSA-N 1 0 291.333 -0.173 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1COC[C@H]1O ZINC000285888003 372946584 /nfs/dbraw/zinc/94/65/84/372946584.db2.gz JVAKOYWVQAIGFC-GHMZBOCLSA-N 1 0 283.284 -0.552 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360850810 373242510 /nfs/dbraw/zinc/24/25/10/373242510.db2.gz CXKGTJQVIRICEA-UHFFFAOYSA-N 1 0 285.304 -0.628 20 5 CBBDRO CC1(C)[C@H](O)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361420752 373293358 /nfs/dbraw/zinc/29/33/58/373293358.db2.gz PIZKTBPPTNTXPI-GHMZBOCLSA-N 1 0 284.316 -0.003 20 5 CBBDRO COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000363375179 373489520 /nfs/dbraw/zinc/48/95/20/373489520.db2.gz QAZMLQCCDCGHQA-GHMZBOCLSA-N 1 0 271.317 -0.168 20 5 CBBDRO Cn1cc([C@H](CO)[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000494810280 373743010 /nfs/dbraw/zinc/74/30/10/373743010.db2.gz RKJIHHWOMQWNFF-NSHDSACASA-N 1 0 280.288 -0.152 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000514601760 373755823 /nfs/dbraw/zinc/75/58/23/373755823.db2.gz AXOVXAMDKPXSJQ-RNFRBKRXSA-N 1 0 255.278 -0.048 20 5 CBBDRO CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000519774746 373826048 /nfs/dbraw/zinc/82/60/48/373826048.db2.gz RZDLGZUMXYMSMR-ZETCQYMHSA-N 1 0 268.277 -0.967 20 5 CBBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1c[nH]nc1[N+](=O)[O-] ZINC000574530772 335027543 /nfs/dbraw/zinc/02/75/43/335027543.db2.gz GNUBCPKARJLDTQ-LBPRGKRZSA-N 1 0 295.299 -0.496 20 5 CBBDRO C[NH+](C)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000263994015 190087946 /nfs/dbraw/zinc/08/79/46/190087946.db2.gz HOQUSRUPKAEXMX-JTQLQIEISA-N 1 0 294.311 -0.081 20 5 CBBDRO C[NH2+]CCN(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000237280090 248164492 /nfs/dbraw/zinc/16/44/92/248164492.db2.gz NRLVBZHXRWUROL-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000212780492 248165254 /nfs/dbraw/zinc/16/52/54/248165254.db2.gz NUYIUHQNQIQILG-UHFFFAOYSA-N 1 0 256.262 -0.111 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376122134 248867405 /nfs/dbraw/zinc/86/74/05/248867405.db2.gz FHLQFYDFCPKAMS-MXWKQRLJSA-N 1 0 268.317 -0.842 20 5 CBBDRO COC[C@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000265283704 190171732 /nfs/dbraw/zinc/17/17/32/190171732.db2.gz ZWALFRSZSFSSSA-LLVKDONJSA-N 1 0 283.288 -0.136 20 5 CBBDRO COCCN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347159071 218141285 /nfs/dbraw/zinc/14/12/85/218141285.db2.gz QWSFGYUOWNBCDJ-UHFFFAOYSA-N 1 0 299.331 -0.022 20 5 CBBDRO C[C@H](O)CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266512030 190262637 /nfs/dbraw/zinc/26/26/37/190262637.db2.gz BMQQXPAEODFRPC-ONGXEEELSA-N 1 0 272.305 -0.145 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000347693590 218325200 /nfs/dbraw/zinc/32/52/00/218325200.db2.gz OXJPCMXALVCAKG-UHFFFAOYSA-N 1 0 295.299 -0.802 20 5 CBBDRO Cn1c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000347884311 218389250 /nfs/dbraw/zinc/38/92/50/218389250.db2.gz LQTIEHVUMSNBDX-SNVBAGLBSA-N 1 0 295.343 -0.091 20 5 CBBDRO C[N@H+]1C[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC000279183387 194322605 /nfs/dbraw/zinc/32/26/05/194322605.db2.gz IYVROWDLRXXOAR-AOOOYVTPSA-N 1 0 279.300 -0.189 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)[NH2+]1 ZINC000154087205 207381544 /nfs/dbraw/zinc/38/15/44/207381544.db2.gz JDYBFYGBYUACHU-NXEZZACHSA-N 1 0 294.311 -0.035 20 5 CBBDRO CCCC[C@H](C[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000162750755 207395691 /nfs/dbraw/zinc/39/56/91/207395691.db2.gz BFRGHGMUAOGJHK-MRVPVSSYSA-N 1 0 270.293 -0.180 20 5 CBBDRO CS(=O)(=O)c1cc(C(=O)NCC[NH3+])cc([N+](=O)[O-])c1 ZINC000428764650 208100156 /nfs/dbraw/zinc/10/01/56/208100156.db2.gz NBXNSVNZRNXTBC-UHFFFAOYSA-N 1 0 287.297 -0.313 20 5 CBBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000427573567 208064410 /nfs/dbraw/zinc/06/44/10/208064410.db2.gz KKGNABTYKQRKSS-HTQZYQBOSA-N 1 0 268.277 -0.700 20 5 CBBDRO C[NH2+][C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428449529 208088363 /nfs/dbraw/zinc/08/83/63/208088363.db2.gz UDXKSHABSLUMQA-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429521313 208123283 /nfs/dbraw/zinc/12/32/83/208123283.db2.gz ZHFKLQSVWBKNSR-MRVPVSSYSA-N 1 0 268.277 -0.603 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000429158519 208113225 /nfs/dbraw/zinc/11/32/25/208113225.db2.gz OYTMTCAYPFEMLS-WCBMZHEXSA-N 1 0 267.289 -0.013 20 5 CBBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429262545 208117271 /nfs/dbraw/zinc/11/72/71/208117271.db2.gz JHAQUTAFRZQIRS-JTQLQIEISA-N 1 0 270.293 -0.324 20 5 CBBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000432516994 208225256 /nfs/dbraw/zinc/22/52/56/208225256.db2.gz YMLLPEBMEMYEEM-MWLCHTKSSA-N 1 0 294.311 -0.129 20 5 CBBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000432525459 208228667 /nfs/dbraw/zinc/22/86/67/208228667.db2.gz HUBKPESWBGIUOQ-WCBMZHEXSA-N 1 0 267.289 -0.095 20 5 CBBDRO C[C@H]1[NH2+]CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1C ZINC000434672742 208264453 /nfs/dbraw/zinc/26/44/53/208264453.db2.gz ZLVFBTOWZHVGEA-SFYZADRCSA-N 1 0 268.277 -0.605 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353763166 220315401 /nfs/dbraw/zinc/31/54/01/220315401.db2.gz SRSGTWUQIXNVMF-JGVFFNPUSA-N 1 0 265.273 -0.001 20 5 CBBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285642834 196353157 /nfs/dbraw/zinc/35/31/57/196353157.db2.gz FLVBLHBFVKPUGN-NXEZZACHSA-N 1 0 295.299 -0.137 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCOC2)c1 ZINC000038094671 174108161 /nfs/dbraw/zinc/10/81/61/174108161.db2.gz PVIODNXTGGEGMR-GXSJLCMTSA-N 1 0 270.289 -0.222 20 5 CBBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000050015953 175506771 /nfs/dbraw/zinc/50/67/71/175506771.db2.gz IJQDMLSHAVVODG-ZJUUUORDSA-N 1 0 265.269 -0.066 20 5 CBBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+](CCO)CC2)nc1 ZINC000071349616 176133563 /nfs/dbraw/zinc/13/35/63/176133563.db2.gz DCNJBTAKZSVHKE-UHFFFAOYSA-N 1 0 267.289 -0.111 20 5 CBBDRO O=C(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]CC1 ZINC000040507970 419419290 /nfs/dbraw/zinc/41/92/90/419419290.db2.gz CLHKQMSSMCBPKY-UHFFFAOYSA-N 1 0 281.272 -0.916 20 5 CBBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000193582993 419548704 /nfs/dbraw/zinc/54/87/04/419548704.db2.gz CLNPGVMBYWRBEK-WPRPVWTQSA-N 1 0 267.289 -0.095 20 5 CBBDRO CCC(CC)(C[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000236760910 419569432 /nfs/dbraw/zinc/56/94/32/419569432.db2.gz PDKHFSHHNULZHX-UHFFFAOYSA-N 1 0 270.293 -0.180 20 5 CBBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000237881361 419585848 /nfs/dbraw/zinc/58/58/48/419585848.db2.gz RYCKLWLQTNQDIC-IUCAKERBSA-N 1 0 282.304 -0.180 20 5 CBBDRO [NH3+]C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCCC1 ZINC000237832007 419587455 /nfs/dbraw/zinc/58/74/55/419587455.db2.gz AVUPRTUGDGMHND-UHFFFAOYSA-N 1 0 282.304 -0.036 20 5 CBBDRO [NH3+]CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237992027 419587711 /nfs/dbraw/zinc/58/77/11/419587711.db2.gz OUAZVVXZZBLCAQ-UHFFFAOYSA-N 1 0 259.287 -0.027 20 5 CBBDRO C[C@H]1COCCN1CCNc1ncc([N+](=O)[O-])cn1 ZINC000354600239 419854220 /nfs/dbraw/zinc/85/42/20/419854220.db2.gz JWPZECDBMYGIGI-VIFPVBQESA-N 1 0 267.289 0.517 20 5 CBBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000359218763 419948842 /nfs/dbraw/zinc/94/88/42/419948842.db2.gz PBKVPARJDZFXRN-SECBINFHSA-N 1 0 282.304 -0.213 20 5 CBBDRO O=[N+]([O-])c1cnn(CCN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359276040 419953036 /nfs/dbraw/zinc/95/30/36/419953036.db2.gz LRPYBUMXQAPDBD-NXEZZACHSA-N 1 0 251.290 -0.058 20 5 CBBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364934177 420049713 /nfs/dbraw/zinc/04/97/13/420049713.db2.gz JTMDTBDFLXIOIN-OUAUKWLOSA-N 1 0 271.317 -0.433 20 5 CBBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367653630 420112630 /nfs/dbraw/zinc/11/26/30/420112630.db2.gz PJGPPUFYMYZGKF-NEPJUHHUSA-N 1 0 292.295 -0.010 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368372095 420131488 /nfs/dbraw/zinc/13/14/88/420131488.db2.gz ZXISLCZWWRLGLR-WCBMZHEXSA-N 1 0 265.273 -0.388 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000365851940 420071916 /nfs/dbraw/zinc/07/19/16/420071916.db2.gz XQDDKFZPPAVKDZ-QWHCGFSZSA-N 1 0 296.327 -0.001 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366462205 420085974 /nfs/dbraw/zinc/08/59/74/420085974.db2.gz NJHYLIUATFTOPL-IUCAKERBSA-N 1 0 285.279 -0.084 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000368787688 420143475 /nfs/dbraw/zinc/14/34/75/420143475.db2.gz ZHILTRASWCRVFB-QWRGUYRKSA-N 1 0 282.300 -0.391 20 5 CBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCN2C1=O ZINC000519613889 420384402 /nfs/dbraw/zinc/38/44/02/420384402.db2.gz LJSRUQLAUWBCJW-SFYZADRCSA-N 1 0 293.283 -0.693 20 5 CBBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)[NH2+]1 ZINC000599102359 420490786 /nfs/dbraw/zinc/49/07/86/420490786.db2.gz DLRPSHBJNZZJPT-KNVOCYPGSA-N 1 0 252.278 0.154 20 5 CBBDRO CC[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000517029517 261710618 /nfs/dbraw/zinc/71/06/18/261710618.db2.gz RUPHGODXODZIOM-MRVPVSSYSA-N 1 0 255.278 -0.047 20 5 CBBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000193661105 262225452 /nfs/dbraw/zinc/22/54/52/262225452.db2.gz FISIAIIDJGUWSL-JOYOIKCWSA-N 1 0 294.311 -0.129 20 5 CBBDRO CNC(=O)CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176228033 277226174 /nfs/dbraw/zinc/22/61/74/277226174.db2.gz IGESQQGTXDUMCG-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO C[NH2+]C[C@@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000577274735 327245704 /nfs/dbraw/zinc/24/57/04/327245704.db2.gz LQAGOYVVJSQFDB-MRVPVSSYSA-N 1 0 255.278 -0.237 20 5 CBBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1[nH]ncc1[N+](=O)[O-] ZINC000560508107 327316312 /nfs/dbraw/zinc/31/63/12/327316312.db2.gz RKQMHXPOPXRJQO-LBPRGKRZSA-N 1 0 295.299 -0.496 20 5 CBBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000571679902 328851201 /nfs/dbraw/zinc/85/12/01/328851201.db2.gz XYQSJOGQVOQOSD-SSDOTTSWSA-N 1 0 269.261 -0.574 20 5 CBBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000582419755 328985623 /nfs/dbraw/zinc/98/56/23/328985623.db2.gz FVRJPUOVYYTURX-ZCFIWIBFSA-N 1 0 255.234 -0.964 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C(CO)CO ZINC000575400998 335100739 /nfs/dbraw/zinc/10/07/39/335100739.db2.gz CMVRVHOVCGHXJJ-JTQLQIEISA-N 1 0 286.284 -0.723 20 5 CBBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000565711005 334589679 /nfs/dbraw/zinc/58/96/79/334589679.db2.gz BTFDFDHDIKHAFU-SSDOTTSWSA-N 1 0 268.277 -0.557 20 5 CBBDRO NC(=O)CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000572714248 334873701 /nfs/dbraw/zinc/87/37/01/334873701.db2.gz ADGXGMGZVKTDAN-JTQLQIEISA-N 1 0 297.315 -0.603 20 5 CBBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000576940896 335266664 /nfs/dbraw/zinc/26/66/64/335266664.db2.gz KKBTWDIBAMIPFF-VHSXEESVSA-N 1 0 283.288 -0.716 20 5 CBBDRO C[C@@H]1[NH2+]CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1C ZINC000581370839 336063312 /nfs/dbraw/zinc/06/33/12/336063312.db2.gz DQTYQVICKUMNBV-UWVGGRQHSA-N 1 0 294.311 -0.035 20 5 CBBDRO NC(=O)C1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000746472904 582284816 /nfs/dbraw/zinc/28/48/16/582284816.db2.gz REGTZGHGEUBILT-SNVBAGLBSA-N 1 0 297.315 -0.460 20 5 CBBDRO O=C(C[N@H+]1CCCN(CC[N+](=O)[O-])CC1)N1CCCC1 ZINC000791054791 582392384 /nfs/dbraw/zinc/39/23/84/582392384.db2.gz XVRLJDNLUKIUCO-UHFFFAOYSA-N 1 0 284.360 -0.107 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849760 582410757 /nfs/dbraw/zinc/41/07/57/582410757.db2.gz ADBUUNHFRSODGK-BDAKNGLRSA-N 1 0 295.299 -0.089 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000808171937 582441894 /nfs/dbraw/zinc/44/18/94/582441894.db2.gz OPYYVJQUTTWHFU-SECBINFHSA-N 1 0 282.300 -0.171 20 5 CBBDRO CON(C)C(=O)CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000819178009 582528431 /nfs/dbraw/zinc/52/84/31/582528431.db2.gz YKCTWMDFZBQVTH-UHFFFAOYSA-N 1 0 271.277 -0.209 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(-c2nc(N3CC[NH2+]CC3)no2)n1 ZINC000823335844 582666963 /nfs/dbraw/zinc/66/69/63/582666963.db2.gz ZMFSWNPXQJKZOG-UHFFFAOYSA-N 1 0 279.260 -0.212 20 5 CBBDRO O=[N+]([O-])c1cnn(Cc2nc(N3CC[NH2+]CC3)no2)c1 ZINC000823346119 582667410 /nfs/dbraw/zinc/66/74/10/582667410.db2.gz DQIHBWNHPYWXGT-UHFFFAOYSA-N 1 0 279.260 -0.368 20 5 CBBDRO COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839526014 583156358 /nfs/dbraw/zinc/15/63/58/583156358.db2.gz BPFDACVCVYEWNV-NXEZZACHSA-N 1 0 259.306 -0.264 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839605122 583156879 /nfs/dbraw/zinc/15/68/79/583156879.db2.gz JCZRKHNBUPKMLK-LMLFDSFASA-N 1 0 269.301 -0.369 20 5 CBBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000839730667 583158659 /nfs/dbraw/zinc/15/86/59/583158659.db2.gz HZLWVGOCVVATNI-GMTAPVOTSA-N 1 0 285.344 -0.045 20 5 CBBDRO C[C@@H](C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842782850 583192945 /nfs/dbraw/zinc/19/29/45/583192945.db2.gz YUQJNHKYIGGARZ-LURJTMIESA-N 1 0 260.275 -0.385 20 5 CBBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C(CO)CO)c1 ZINC000843060349 583198654 /nfs/dbraw/zinc/19/86/54/583198654.db2.gz UUHQLKGBKJVNNZ-NSHDSACASA-N 1 0 256.258 -0.429 20 5 CBBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)CO)c1 ZINC000843064568 583199200 /nfs/dbraw/zinc/19/92/00/583199200.db2.gz ZIBTVPFIKWJUDG-WDEREUQCSA-N 1 0 256.258 -0.429 20 5 CBBDRO O=C(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NCCO ZINC000843070591 583199518 /nfs/dbraw/zinc/19/95/18/583199518.db2.gz DMLZSFYTOPZWER-NSHDSACASA-N 1 0 283.284 -0.674 20 5 CBBDRO C[NH2+]C[C@@H](O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843078598 583200303 /nfs/dbraw/zinc/20/03/03/583200303.db2.gz QUMMENGPWZDQSM-VXGBXAGGSA-N 1 0 269.301 -0.202 20 5 CBBDRO C[C@](O)(CO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843080919 583200766 /nfs/dbraw/zinc/20/07/66/583200766.db2.gz MIKYUOHNSMRQAT-VXGBXAGGSA-N 1 0 270.285 -0.039 20 5 CBBDRO O=c1c(F)cc([N+](=O)[O-])cn1C[C@H]1C[NH2+]CCO1 ZINC000849240699 583475124 /nfs/dbraw/zinc/47/51/24/583475124.db2.gz SSIIZEUBONWVTP-MRVPVSSYSA-N 1 0 257.221 -0.116 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NOCC[NH+](C)C ZINC000854945605 583629196 /nfs/dbraw/zinc/62/91/96/583629196.db2.gz MTHBHELOVAFRSU-UHFFFAOYSA-N 1 0 257.250 -0.449 20 5 CBBDRO [NH3+]CCN(CCO)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000857768529 583683034 /nfs/dbraw/zinc/68/30/34/583683034.db2.gz SXXWAWCWGNPGMZ-UHFFFAOYSA-N 1 0 296.283 -0.687 20 5 CBBDRO Nc1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000863830857 583859053 /nfs/dbraw/zinc/85/90/53/583859053.db2.gz YDVBJFTWUQWYLT-JTQLQIEISA-N 1 0 294.311 -0.027 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872757683 584062913 /nfs/dbraw/zinc/06/29/13/584062913.db2.gz FHPXFTRYGZAKDG-VHSXEESVSA-N 1 0 281.316 -0.026 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750695 584535555 /nfs/dbraw/zinc/53/55/55/584535555.db2.gz QFKCHYBJFAZLGE-WRWGMCAJSA-N 1 0 283.328 -0.291 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000894430155 584657969 /nfs/dbraw/zinc/65/79/69/584657969.db2.gz RMUXZWFUYXBLAD-DTWKUNHWSA-N 1 0 267.289 -0.417 20 5 CBBDRO CCS(=O)(=O)N(C)CCC[NH2+]CC[N+](=O)[O-] ZINC000899870342 584782433 /nfs/dbraw/zinc/78/24/33/584782433.db2.gz MIZFZNVWOBJJNQ-UHFFFAOYSA-N 1 0 253.324 -0.476 20 5 CBBDRO CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000941406959 615087816 /nfs/dbraw/zinc/08/78/16/615087816.db2.gz KEDKJXKZSIISMK-VXGBXAGGSA-N 1 0 282.344 -0.500 20 5 CBBDRO CN(CC[N@H+](C)CCO)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000701123557 656178093 /nfs/dbraw/zinc/17/80/93/656178093.db2.gz VMDLHWXSPOFAJY-UHFFFAOYSA-N 1 0 284.316 -0.071 20 5 CBBDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905062640 656336705 /nfs/dbraw/zinc/33/67/05/656336705.db2.gz YINYPVHKZJTRLR-MRVPVSSYSA-N 1 0 251.308 -0.723 20 5 CBBDRO CCCNC(=O)CN1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905035710 656335485 /nfs/dbraw/zinc/33/54/85/656335485.db2.gz OSGTZVNZAPGXIU-UHFFFAOYSA-N 1 0 272.349 -0.157 20 5 CBBDRO CN(C)C(=O)CN1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905107283 656339207 /nfs/dbraw/zinc/33/92/07/656339207.db2.gz XVBDABBZPVDVMB-UHFFFAOYSA-N 1 0 258.322 -0.595 20 5 CBBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905255868 656346880 /nfs/dbraw/zinc/34/68/80/656346880.db2.gz LBUULOZFFSZLOI-SECBINFHSA-N 1 0 265.335 -0.333 20 5 CBBDRO O=C(NC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002786561 656841406 /nfs/dbraw/zinc/84/14/06/656841406.db2.gz BOHNJEKGLAJXBX-NXEZZACHSA-N 1 0 257.290 -0.776 20 5 CBBDRO CN(CC[N@H+](C)CCO)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000912608161 657297721 /nfs/dbraw/zinc/29/77/21/657297721.db2.gz RXHMERDIIZIUEU-UHFFFAOYSA-N 1 0 282.300 -0.014 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC12CC[NH+](CC1)C2 ZINC000913628305 657565660 /nfs/dbraw/zinc/56/56/60/657565660.db2.gz BLEVZUGISAOODZ-UHFFFAOYSA-N 1 0 265.273 -0.244 20 5 CBBDRO Cn1nccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138995 658017194 /nfs/dbraw/zinc/01/71/94/658017194.db2.gz LVFASTPXVUTQAU-CNVPUSNMSA-N 1 0 293.327 -0.178 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000923417076 658270203 /nfs/dbraw/zinc/27/02/03/658270203.db2.gz ULYSHYMGTJWNCN-JHJVBQTASA-N 1 0 295.343 -0.022 20 5 CBBDRO O=C(NC1CC2(C1)CC([NH2+]CCO)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963791910 658867805 /nfs/dbraw/zinc/86/78/05/658867805.db2.gz VEISADDVXVAISQ-GYEOWSFSSA-N 1 0 283.328 -0.339 20 5 CBBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC[N+](=O)[O-])CC1 ZINC000930073209 659202249 /nfs/dbraw/zinc/20/22/49/659202249.db2.gz XEQMWOYOBIMLCF-NSHDSACASA-N 1 0 270.333 -0.323 20 5 CBBDRO COC(=O)CC[N@@H+]1CCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000930237755 659236542 /nfs/dbraw/zinc/23/65/42/659236542.db2.gz WHLRJRZOQOOTLE-SNVBAGLBSA-N 1 0 259.306 -0.168 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000981764145 659330070 /nfs/dbraw/zinc/33/00/70/659330070.db2.gz OIDOEDAYDGEOAJ-VXGBXAGGSA-N 1 0 297.355 -0.042 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164393952 718829086 /nfs/dbraw/zinc/82/90/86/718829086.db2.gz XXRPNBHCFFVJCU-NSHDSACASA-N 1 0 279.300 -0.678 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2COCCO2)c1 ZINC000038061311 790323232 /nfs/dbraw/zinc/32/32/32/790323232.db2.gz FPJPITMCHCIKGL-WDEREUQCSA-N 1 0 286.288 -0.843 20 5 CBBDRO C[NH2+]C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000702053076 790720373 /nfs/dbraw/zinc/72/03/73/790720373.db2.gz UWFGETJLMVBOAN-SECBINFHSA-N 1 0 267.289 -0.141 20 5 CBBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1CO ZINC000828724117 790890614 /nfs/dbraw/zinc/89/06/14/790890614.db2.gz FHOMOAMISCFTQT-GFCCVEGCSA-N 1 0 296.327 -0.635 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC001117682797 812431373 /nfs/dbraw/zinc/43/13/73/812431373.db2.gz ICGRWMCOYHNZMN-WYUUTHIRSA-N 1 0 282.300 -0.678 20 5 CBBDRO O=C(NCC1(O)CN(CC2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001325214946 804260070 /nfs/dbraw/zinc/26/00/70/804260070.db2.gz WAJXBUQHMCFZCI-NXEZZACHSA-N 1 0 269.301 -0.776 20 5 CBBDRO CCCN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001325214948 804260968 /nfs/dbraw/zinc/26/09/68/804260968.db2.gz WCBMVPXIMCKRHQ-RKDXNWHRSA-N 1 0 257.290 -0.776 20 5 CBBDRO C[NH+](C)C[C@H]1COCCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001154960454 815254021 /nfs/dbraw/zinc/25/40/21/815254021.db2.gz AGORHRZWYKEKAF-NSHDSACASA-N 1 0 282.300 -0.005 20 5 CBBDRO C[NH+](C)C[C@@H]1COCCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001154960453 815254113 /nfs/dbraw/zinc/25/41/13/815254113.db2.gz AGORHRZWYKEKAF-LLVKDONJSA-N 1 0 282.300 -0.005 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CCO ZINC001155245117 815273084 /nfs/dbraw/zinc/27/30/84/815273084.db2.gz YVRHHPZDNXULNK-UHFFFAOYSA-N 1 0 270.289 -0.413 20 5 CBBDRO COc1cnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001155569175 815293139 /nfs/dbraw/zinc/29/31/39/815293139.db2.gz DIFXWSDIWRBXTK-SKDRFNHKSA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N(CC[NH3+])CCO)n1 ZINC001155949410 815324804 /nfs/dbraw/zinc/32/48/04/815324804.db2.gz KLHRTLOIJKLXIQ-UHFFFAOYSA-N 1 0 271.277 -0.541 20 5 CBBDRO [NH3+]CCN(CCO)c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001155953075 815325000 /nfs/dbraw/zinc/32/50/00/815325000.db2.gz PLKZUPKVDHTGFT-UHFFFAOYSA-N 1 0 276.680 -0.361 20 5 CBBDRO Cc1nc(N(C)S(=O)(=O)CC[NH3+])ncc1[N+](=O)[O-] ZINC001156240040 815351030 /nfs/dbraw/zinc/35/10/30/815351030.db2.gz GCHFFTOTOHBYAO-UHFFFAOYSA-N 1 0 275.290 -0.582 20 5 CBBDRO CN1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1=O ZINC001156509238 815363135 /nfs/dbraw/zinc/36/31/35/815363135.db2.gz LYNKZWPQCLYOOW-MRVPVSSYSA-N 1 0 292.299 -0.286 20 5 CBBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])cc[n+]2[O-])CC[NH2+]CC1 ZINC001156530713 815364923 /nfs/dbraw/zinc/36/49/23/815364923.db2.gz QYXPHAGPKHFBHH-UHFFFAOYSA-N 1 0 296.283 -0.065 20 5 CBBDRO O=[N+]([O-])c1cnc(NC[C@H]2COCCO2)nc1C1C[NH2+]C1 ZINC001157483282 815438046 /nfs/dbraw/zinc/43/80/46/815438046.db2.gz BCYXRCMMZRVJSS-VIFPVBQESA-N 1 0 295.299 -0.101 20 5 CBBDRO COc1nc(NC(=N)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001157911093 815481349 /nfs/dbraw/zinc/48/13/49/815481349.db2.gz XHQLXWBRDZPZJL-UHFFFAOYSA-N 1 0 295.303 -0.013 20 5 CBBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001116028389 812213773 /nfs/dbraw/zinc/21/37/73/812213773.db2.gz PQIIRPKVHZWQKR-QMMMGPOBSA-N 1 0 268.277 -0.746 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[NH+]1CC=CC1 ZINC001116192616 812228984 /nfs/dbraw/zinc/22/89/84/812228984.db2.gz PWFBYROACIUCKC-UHFFFAOYSA-N 1 0 266.261 -0.826 20 5 CBBDRO C[NH+](C)C[C@H](O)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001117684148 812432021 /nfs/dbraw/zinc/43/20/21/812432021.db2.gz FXQPCWKXOZFWRL-SSDOTTSWSA-N 1 0 283.288 -0.577 20 5 CBBDRO C[NH+](C)C[C@@H](O)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001117684149 812432674 /nfs/dbraw/zinc/43/26/74/812432674.db2.gz FXQPCWKXOZFWRL-ZETCQYMHSA-N 1 0 283.288 -0.577 20 5 CBBDRO C[C@]1(C[NH3+])CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001118085522 812468291 /nfs/dbraw/zinc/46/82/91/812468291.db2.gz HFFZRJWLZQLIKJ-SNVBAGLBSA-N 1 0 268.277 -0.616 20 5 CBBDRO CC1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC001118265973 812512181 /nfs/dbraw/zinc/51/21/81/812512181.db2.gz INKIOWWBVOXJMX-UHFFFAOYSA-N 1 0 282.304 -0.308 20 5 CBBDRO CC[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC001118270177 812513872 /nfs/dbraw/zinc/51/38/72/812513872.db2.gz XCUCLIKIDWDLFC-DTWKUNHWSA-N 1 0 282.304 -0.228 20 5 CBBDRO CC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC001118270179 812513876 /nfs/dbraw/zinc/51/38/76/812513876.db2.gz XCUCLIKIDWDLFC-RKDXNWHRSA-N 1 0 282.304 -0.228 20 5 CBBDRO COc1nc(N2C[C@@H](OC)[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001158704299 815543363 /nfs/dbraw/zinc/54/33/63/815543363.db2.gz NMXGWBNDYPJGBX-POYBYMJQSA-N 1 0 269.261 -0.444 20 5 CBBDRO CO[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)C[C@@H]1[NH3+] ZINC001158711835 815544842 /nfs/dbraw/zinc/54/48/42/815544842.db2.gz VKIFOFJLWXPZBX-POYBYMJQSA-N 1 0 253.262 -0.266 20 5 CBBDRO COc1nc(NC[C@H]2COCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001159034973 815556296 /nfs/dbraw/zinc/55/62/96/815556296.db2.gz CCPWWNUQMUSDCG-ZETCQYMHSA-N 1 0 269.261 -0.206 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122567641 813176840 /nfs/dbraw/zinc/17/68/40/813176840.db2.gz VGINQFLLFHYSFG-GDGBQDQQSA-N 1 0 279.300 -0.224 20 5 CBBDRO CC(=O)NCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001122668041 813182931 /nfs/dbraw/zinc/18/29/31/813182931.db2.gz UMZNKCDUHQZXMP-UHFFFAOYSA-N 1 0 294.311 -0.063 20 5 CBBDRO NC(=O)NCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123235124 813224419 /nfs/dbraw/zinc/22/44/19/813224419.db2.gz HUAAEWBBTHQAJD-UHFFFAOYSA-N 1 0 295.299 -0.531 20 5 CBBDRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932148 813694507 /nfs/dbraw/zinc/69/45/07/813694507.db2.gz JJOREVFFUHZHQB-GHMZBOCLSA-N 1 0 298.343 -0.774 20 5 CBBDRO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001126932424 813695421 /nfs/dbraw/zinc/69/54/21/813695421.db2.gz XCWVYCODWVPQIO-NXEZZACHSA-N 1 0 268.273 -0.146 20 5 CBBDRO Cn1cncc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932426 813695887 /nfs/dbraw/zinc/69/58/87/813695887.db2.gz XIZADFGWWUCWNT-NXEZZACHSA-N 1 0 267.289 -0.709 20 5 CBBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001130097943 813907979 /nfs/dbraw/zinc/90/79/79/813907979.db2.gz IKOIWZWUNOFUDR-VIFPVBQESA-N 1 0 282.304 -0.261 20 5 CBBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001159671068 815583625 /nfs/dbraw/zinc/58/36/25/815583625.db2.gz HZOFXOPFAMZJDF-XPUUQOCRSA-N 1 0 283.244 -0.110 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001159676418 815585523 /nfs/dbraw/zinc/58/55/23/815585523.db2.gz GZUCPBDMSMQNRI-SFYZADRCSA-N 1 0 253.262 -0.315 20 5 CBBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001159676649 815587053 /nfs/dbraw/zinc/58/70/53/815587053.db2.gz IGGINHCJFCVLCN-XPUUQOCRSA-N 1 0 288.691 -0.126 20 5 CBBDRO N=c1ncc(C[NH3+])cn1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001161415477 815752492 /nfs/dbraw/zinc/75/24/92/815752492.db2.gz KHHSBYOALGQMQP-UHFFFAOYSA-N 1 0 261.245 -0.304 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cc(C[NH3+])cnc1=N ZINC001161415481 815752604 /nfs/dbraw/zinc/75/26/04/815752604.db2.gz KKDDYVNIWJBLOM-UHFFFAOYSA-N 1 0 276.256 -0.340 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N(CC[NH3+])S(C)(=O)=O ZINC001162127106 815804993 /nfs/dbraw/zinc/80/49/93/815804993.db2.gz QJKNLWWIIMFWPS-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC001162634229 815837951 /nfs/dbraw/zinc/83/79/51/815837951.db2.gz JMMTVHMHWUBJDF-SECBINFHSA-N 1 0 297.315 -0.106 20 5 CBBDRO Cn1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc([N+](=O)[O-])c1=O ZINC001163101168 815859588 /nfs/dbraw/zinc/85/95/88/815859588.db2.gz HAVUAUOXECQAJL-HLUHBDAQSA-N 1 0 294.311 -0.060 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncccc2[N+](=O)[O-])N1 ZINC001163243450 815871165 /nfs/dbraw/zinc/87/11/65/815871165.db2.gz SLWXQYJKTCXMNP-KCJUWKMLSA-N 1 0 263.257 -0.020 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cccnc2[N+](=O)[O-])N1 ZINC001163250661 815872712 /nfs/dbraw/zinc/87/27/12/815872712.db2.gz OYIMLXHBGZAYNZ-LDYMZIIASA-N 1 0 263.257 -0.020 20 5 CBBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001295202976 816560637 /nfs/dbraw/zinc/56/06/37/816560637.db2.gz XHOCQXALYXJFIX-LMLFDSFASA-N 1 0 298.343 -0.633 20 5 CBBDRO C[NH+](C)C1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001295880879 816591238 /nfs/dbraw/zinc/59/12/38/816591238.db2.gz DLOSYHJZMDWTOJ-UHFFFAOYSA-N 1 0 265.273 -0.042 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001302816391 816758830 /nfs/dbraw/zinc/75/88/30/816758830.db2.gz JIKZCAHMMQERQT-LLVKDONJSA-N 1 0 283.288 -0.544 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001308162968 816822514 /nfs/dbraw/zinc/82/25/14/816822514.db2.gz JXDJHJKIPRSBDC-GHMZBOCLSA-N 1 0 284.316 -0.286 20 5 CBBDRO CN(CCCC[NH+](C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001318662213 817131315 /nfs/dbraw/zinc/13/13/15/817131315.db2.gz PZRRZICRLLSGPW-UHFFFAOYSA-N 1 0 284.320 -0.014 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001320222553 817296896 /nfs/dbraw/zinc/29/68/96/817296896.db2.gz BEXKOWWXFHXYDK-NSHDSACASA-N 1 0 283.288 -0.875 20 5 CBBDRO Cc1c[n+]([O-])c(N(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC001163828146 819854066 /nfs/dbraw/zinc/85/40/66/819854066.db2.gz QKPDWVVLQOJECW-UHFFFAOYSA-N 1 0 256.262 -0.706 20 5 CBBDRO COc1nc(N(CC[NH3+])CCO)nc(C)c1[N+](=O)[O-] ZINC001163827799 819854078 /nfs/dbraw/zinc/85/40/78/819854078.db2.gz OOTBZGZQBXWHOP-UHFFFAOYSA-N 1 0 271.277 -0.541 20 5 CBBDRO NC(=O)c1nc(N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001164275857 819896099 /nfs/dbraw/zinc/89/60/99/819896099.db2.gz SRCCICJHLNJIPJ-ZCFIWIBFSA-N 1 0 251.246 -0.374 20 5 CBBDRO [NH3+][C@H]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC001164279058 819897136 /nfs/dbraw/zinc/89/71/36/819897136.db2.gz MMJBOUNAHADRAN-VIFPVBQESA-N 1 0 294.315 -0.241 20 5 CBBDRO CN(c1c(F)c([N+](=O)[O-])cc[n+]1[O-])S(=O)(=O)CC[NH3+] ZINC001164287898 819899871 /nfs/dbraw/zinc/89/98/71/819899871.db2.gz YDTDJFSCJFTXDD-UHFFFAOYSA-N 1 0 294.264 -0.908 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(N(C)S(=O)(=O)CC[NH3+])n1 ZINC001164287429 819900089 /nfs/dbraw/zinc/90/00/89/819900089.db2.gz QNDGYQBWGDNZJJ-UHFFFAOYSA-N 1 0 291.289 -0.882 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N(C)S(=O)(=O)CC[NH3+] ZINC001164296827 819903138 /nfs/dbraw/zinc/90/31/38/819903138.db2.gz QVVWTYNZMGPPSO-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO [NH3+]CCON=c1nc[nH]c(N2CCOCC2)c1[N+](=O)[O-] ZINC001164413996 819911132 /nfs/dbraw/zinc/91/11/32/819911132.db2.gz AMRCVUDZKRCEQE-UHFFFAOYSA-N 1 0 284.276 -0.476 20 5 CBBDRO COc1ncnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165270304 819946728 /nfs/dbraw/zinc/94/67/28/819946728.db2.gz BFEXXIKRQNEMPC-IUCAKERBSA-N 1 0 295.299 -0.040 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCOCC23C[NH2+]C3)n1 ZINC001165286676 819948790 /nfs/dbraw/zinc/94/87/90/819948790.db2.gz QWGFCMXFMYIQDN-UHFFFAOYSA-N 1 0 295.299 -0.120 20 5 CBBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCNC(=O)C23C[NH2+]C3)n1 ZINC001165297504 819951708 /nfs/dbraw/zinc/95/17/08/819951708.db2.gz FMWWCKRWYMQOKQ-UHFFFAOYSA-N 1 0 291.311 -0.115 20 5 CBBDRO COc1nc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165380587 819958964 /nfs/dbraw/zinc/95/89/64/819958964.db2.gz CYBQYSOSOBPIBQ-UQWHLADISA-N 1 0 251.246 -0.213 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(OC)n1 ZINC001165437056 819961308 /nfs/dbraw/zinc/96/13/08/819961308.db2.gz OTSOYGKWIWSVLI-SECBINFHSA-N 1 0 296.283 -0.050 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001165438151 819962982 /nfs/dbraw/zinc/96/29/82/819962982.db2.gz FMGNXNQPGDMHAT-SECBINFHSA-N 1 0 281.272 -0.477 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001165439621 819963636 /nfs/dbraw/zinc/96/36/36/819963636.db2.gz SBURSHCYSLEGMT-SNVBAGLBSA-N 1 0 296.283 -0.512 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1ccnc1CC[NH3+] ZINC001166277400 819996405 /nfs/dbraw/zinc/99/64/05/819996405.db2.gz SEQLDTFSGPWUCQ-UHFFFAOYSA-N 1 0 276.256 -0.224 20 5 CBBDRO C[C@H]1C(=O)NCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166562419 820004381 /nfs/dbraw/zinc/00/43/81/820004381.db2.gz SGRPEDUOONWJOV-ZETCQYMHSA-N 1 0 292.299 -0.604 20 5 CBBDRO O=[N+]([O-])c1cnc(N2CC(O)C2)nc1C1C[NH2+]C1 ZINC001166938899 820047832 /nfs/dbraw/zinc/04/78/32/820047832.db2.gz PJBDPILBBPMCFL-UHFFFAOYSA-N 1 0 251.246 -0.748 20 5 CBBDRO CS(=O)(=O)N(c1ccc([N+](=O)[O-])c(N)n1)C1C[NH2+]C1 ZINC001166968045 820055405 /nfs/dbraw/zinc/05/54/05/820055405.db2.gz GZZXYCSJIHMZGT-UHFFFAOYSA-N 1 0 287.301 -0.690 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N(C2C[NH2+]C2)S(C)(=O)=O)n1 ZINC001166967423 820055638 /nfs/dbraw/zinc/05/56/38/820055638.db2.gz FPPHSUYZVWZHFL-UHFFFAOYSA-N 1 0 287.301 -0.569 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1-n1nnc(CC[NH3+])n1 ZINC001167790168 820117430 /nfs/dbraw/zinc/11/74/30/820117430.db2.gz ASOPMPJSOXCJKV-UHFFFAOYSA-N 1 0 265.233 -0.525 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2nnc(CC[NH3+])n2)c1 ZINC001167791650 820120311 /nfs/dbraw/zinc/12/03/11/820120311.db2.gz HKZOLQBIWDZABQ-UHFFFAOYSA-N 1 0 292.255 -0.142 20 5 CBBDRO Cc1c[n+]([O-])c(-n2nnc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001167791723 820120426 /nfs/dbraw/zinc/12/04/26/820120426.db2.gz SAVWYYONUPWHPI-UHFFFAOYSA-N 1 0 265.233 -0.986 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[N@H+](C)CCO ZINC001168349059 820159480 /nfs/dbraw/zinc/15/94/80/820159480.db2.gz IQBNYWDONMMGMM-UHFFFAOYSA-N 1 0 299.331 -0.518 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(NC(=N)N2CC[NH+](C)CC2)n1 ZINC001168735492 820169385 /nfs/dbraw/zinc/16/93/85/820169385.db2.gz RHRIJLDCXDOPNM-UHFFFAOYSA-N 1 0 295.303 -0.013 20 5 CBBDRO NCc1ncn(-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])n1 ZINC001168753295 820174706 /nfs/dbraw/zinc/17/47/06/820174706.db2.gz BKJQHNOHJQTBNG-UHFFFAOYSA-N 1 0 276.260 -0.889 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001168918850 820191330 /nfs/dbraw/zinc/19/13/30/820191330.db2.gz NUZRWNLWEWPRAU-UHFFFAOYSA-N 1 0 261.205 -0.700 20 5 CBBDRO COc1nc(C)nc(-n2nnnc2C[NH3+])c1[N+](=O)[O-] ZINC001168918680 820191385 /nfs/dbraw/zinc/19/13/85/820191385.db2.gz JXHOPFXASUWDJG-UHFFFAOYSA-N 1 0 266.221 -0.864 20 5 CBBDRO COC(=O)Cc1ccc(-n2nnnc2C[NH3+])cc1[N+](=O)[O-] ZINC001168923556 820193346 /nfs/dbraw/zinc/19/33/46/820193346.db2.gz AEBPBDYTNCNAKR-UHFFFAOYSA-N 1 0 292.255 -0.255 20 5 CBBDRO CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)S(=O)(=O)CC[NH3+] ZINC001168966475 820197498 /nfs/dbraw/zinc/19/74/98/820197498.db2.gz IKFQJEBBIMUUGC-RKDXNWHRSA-N 1 0 265.335 -0.348 20 5 CBBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCN(CCO)CCO)C1 ZINC001168967638 820198050 /nfs/dbraw/zinc/19/80/50/820198050.db2.gz RQLDYAPRQNNKHM-OLZOCXBDSA-N 1 0 289.376 -0.302 20 5 CBBDRO COC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984939 820199232 /nfs/dbraw/zinc/19/92/32/820199232.db2.gz RHELAIGAXILCED-DTWKUNHWSA-N 1 0 273.289 -0.689 20 5 CBBDRO Cc1nc(CC[NH3+])nn1-c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001168983644 820199304 /nfs/dbraw/zinc/19/93/04/820199304.db2.gz QKRCPQUITGMIAR-UHFFFAOYSA-N 1 0 291.271 -0.521 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(-n2cncc2C[C@@H]([NH3+])CO)n1 ZINC001169071819 820205078 /nfs/dbraw/zinc/20/50/78/820205078.db2.gz MYKPSXSLBHUTTL-SSDOTTSWSA-N 1 0 294.271 -0.559 20 5 CBBDRO NC(=O)c1nc(-n2nncc2C[NH3+])ccc1[N+](=O)[O-] ZINC001169303704 820224328 /nfs/dbraw/zinc/22/43/28/820224328.db2.gz CUGNWPBYTMJUQH-UHFFFAOYSA-N 1 0 263.217 -0.872 20 5 CBBDRO Cn1cc(-n2nncc2C[NH3+])cc([N+](=O)[O-])c1=O ZINC001169311223 820226554 /nfs/dbraw/zinc/22/65/54/820226554.db2.gz SLGLLRLSUGURQC-UHFFFAOYSA-N 1 0 250.218 -0.667 20 5 CBBDRO [NH3+]Cc1cnnn1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001169311685 820228112 /nfs/dbraw/zinc/22/81/12/820228112.db2.gz QVDHDFLRDDQKGN-UHFFFAOYSA-N 1 0 274.240 -0.122 20 5 CBBDRO [NH3+]Cc1cnnn1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001169311871 820228846 /nfs/dbraw/zinc/22/88/46/820228846.db2.gz GZELOYNYVAPHGD-UHFFFAOYSA-N 1 0 260.217 -0.323 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(NC[C@H]2COCC[NH2+]2)n1 ZINC001170035679 820273406 /nfs/dbraw/zinc/27/34/06/820273406.db2.gz OKBPYMBSUFMLSK-ZETCQYMHSA-N 1 0 269.261 -0.206 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(NC[C@@H]2COCC[NH2+]2)n1 ZINC001170035678 820274496 /nfs/dbraw/zinc/27/44/96/820274496.db2.gz OKBPYMBSUFMLSK-SSDOTTSWSA-N 1 0 269.261 -0.206 20 5 CBBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170340456 820288847 /nfs/dbraw/zinc/28/88/47/820288847.db2.gz WGOOISMALSMUFE-UHFFFAOYSA-N 1 0 293.283 -0.006 20 5 CBBDRO CN(CC[NH3+])CCNc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001170497327 820294105 /nfs/dbraw/zinc/29/41/05/820294105.db2.gz GZKJQNICNMANMB-UHFFFAOYSA-N 1 0 282.304 -0.609 20 5 CBBDRO CN(CC[NH3+])CCNc1nccc(N)c1[N+](=O)[O-] ZINC001170501812 820295945 /nfs/dbraw/zinc/29/59/45/820295945.db2.gz CQBITPYLVSQLHN-UHFFFAOYSA-N 1 0 254.294 -0.126 20 5 CBBDRO Nc1ccnc(NCCOCCOCC[NH3+])c1[N+](=O)[O-] ZINC001170507236 820296701 /nfs/dbraw/zinc/29/67/01/820296701.db2.gz HQAWZPGBPVLOKX-UHFFFAOYSA-N 1 0 285.304 -0.024 20 5 CBBDRO COc1ccnc(N[C@@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170773782 820318290 /nfs/dbraw/zinc/31/82/90/820318290.db2.gz QOYRSUMOHGYZCP-JGVFFNPUSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170773712 820318354 /nfs/dbraw/zinc/31/83/54/820318354.db2.gz PKSQFGFCNWDXED-APPZFPTMSA-N 1 0 268.273 -0.009 20 5 CBBDRO Cn1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc([N+](=O)[O-])c1=O ZINC001170777440 820319618 /nfs/dbraw/zinc/31/96/18/820319618.db2.gz CLYDLOIJEDCUCP-VXNVDRBHSA-N 1 0 268.273 -0.714 20 5 CBBDRO COc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc(C)c1[N+](=O)[O-] ZINC001170778472 820320389 /nfs/dbraw/zinc/32/03/89/820320389.db2.gz UKVYYNLBMUTULP-HTQZYQBOSA-N 1 0 283.288 -0.306 20 5 CBBDRO Cc1c[n+]([O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001170780083 820323080 /nfs/dbraw/zinc/32/30/80/820323080.db2.gz ZRHWWMKQYHRIGS-RKDXNWHRSA-N 1 0 268.273 -0.471 20 5 CBBDRO CC[C@@](N)(CO)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001170863825 820330086 /nfs/dbraw/zinc/33/00/86/820330086.db2.gz FNAZHFOGVIMHAP-NSHDSACASA-N 1 0 282.304 -0.459 20 5 CBBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nccnc1[N+](=O)[O-] ZINC001170869419 820331463 /nfs/dbraw/zinc/33/14/63/820331463.db2.gz BYIWHLRWDNXZFB-HTQZYQBOSA-N 1 0 281.272 -0.052 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001170992438 820341632 /nfs/dbraw/zinc/34/16/32/820341632.db2.gz KRJUCJUEQAUHPZ-UHFFFAOYSA-N 1 0 298.299 -0.135 20 5 CBBDRO COC[C@](C)(CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC001175284479 820423931 /nfs/dbraw/zinc/42/39/31/820423931.db2.gz KWBVIDDLNUVUAR-JTQLQIEISA-N 1 0 258.278 -0.222 20 5 CBBDRO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200462318 824320019 /nfs/dbraw/zinc/32/00/19/824320019.db2.gz WPNXBRNJASRPAZ-GHMZBOCLSA-N 1 0 298.343 -0.680 20 5 CBBDRO CC(C)OC(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001205886957 824389172 /nfs/dbraw/zinc/38/91/72/824389172.db2.gz PWJBQDJHIHANFT-SNVBAGLBSA-N 1 0 262.326 -0.062 20 5 CBBDRO COC(=O)[C@@H](C)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001205937755 824390510 /nfs/dbraw/zinc/39/05/10/824390510.db2.gz JDVYQCRAWPENGO-VHSXEESVSA-N 1 0 262.326 -0.204 20 5 CBBDRO Cc1nnc(COC(=O)C[C@@H](O)C[N+](C)(C)C)o1 ZINC001222244806 825205029 /nfs/dbraw/zinc/20/50/29/825205029.db2.gz KKHUPEVSTFWOML-SECBINFHSA-N 1 0 258.298 -0.122 20 5 CBBDRO Cn1cncc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222595041 825218281 /nfs/dbraw/zinc/21/82/81/825218281.db2.gz MIGFESCSBJMHDS-LLVKDONJSA-N 1 0 256.326 -0.080 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccncn1 ZINC001223206791 825226733 /nfs/dbraw/zinc/22/67/33/825226733.db2.gz LYDDBFIBHHFING-LLVKDONJSA-N 1 0 254.310 -0.023 20 5 CBBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646666 825231618 /nfs/dbraw/zinc/23/16/18/825231618.db2.gz LNEZOELVRJLCCE-SECBINFHSA-N 1 0 282.304 -0.205 20 5 CBBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646673 825231667 /nfs/dbraw/zinc/23/16/67/825231667.db2.gz LNEZOELVRJLCCE-VIFPVBQESA-N 1 0 282.304 -0.205 20 5 CBBDRO Cc1nonc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223983025 825233889 /nfs/dbraw/zinc/23/38/89/825233889.db2.gz ZYLOFYQXIBIRLD-SECBINFHSA-N 1 0 258.298 -0.122 20 5 CBBDRO C[N+](C)(C)CCO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-] ZINC001224776762 825247486 /nfs/dbraw/zinc/24/74/86/825247486.db2.gz ZOVHNYSXEOZGBP-LMLFDSFASA-N 1 0 277.297 -0.548 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC[C@H]1COC(=O)N1 ZINC001225143561 825255435 /nfs/dbraw/zinc/25/54/35/825255435.db2.gz YLQLPWZUHXWAKE-DTWKUNHWSA-O 1 0 261.298 -0.905 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)[nH]c(=S)[nH]1 ZINC001225765996 825263139 /nfs/dbraw/zinc/26/31/39/825263139.db2.gz PPMUKAHUPIAHSH-SSDOTTSWSA-O 1 0 288.349 -0.167 20 5 CBBDRO COc1cnnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228373946 825316609 /nfs/dbraw/zinc/31/66/09/825316609.db2.gz YPDBTGCWNCXSJD-SECBINFHSA-N 1 0 270.309 -0.152 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncncc1[N+](=O)[O-] ZINC001228656651 825321104 /nfs/dbraw/zinc/32/11/04/825321104.db2.gz IFNUAEREAQFCSY-MRVPVSSYSA-N 1 0 285.280 -0.253 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(F)nc2[nH]cnc21 ZINC001234686264 825477189 /nfs/dbraw/zinc/47/71/89/825477189.db2.gz CDZAGQPGLLRELK-SSDOTTSWSA-N 1 0 298.298 -0.145 20 5 CBBDRO CCOC(=O)[C@H](N)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246416353 825673041 /nfs/dbraw/zinc/67/30/41/825673041.db2.gz HOYGZWMWOUUGFS-KXUCPTDWSA-N 1 0 259.306 -0.088 20 5 CBBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1N ZINC001246935735 825733927 /nfs/dbraw/zinc/73/39/27/825733927.db2.gz YJRQTNRGJNEHQA-DBIOUOCHSA-N 1 0 271.317 -0.136 20 5 CBBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1N ZINC001246935740 825734201 /nfs/dbraw/zinc/73/42/01/825734201.db2.gz YJRQTNRGJNEHQA-ZDCRXTMVSA-N 1 0 271.317 -0.136 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC[NH+](C)CC1 ZINC001251171715 825778026 /nfs/dbraw/zinc/77/80/26/825778026.db2.gz DQICMSKKUCILIV-UHFFFAOYSA-N 1 0 282.304 -0.261 20 5 CBBDRO NC(=O)[C@@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579570 825967368 /nfs/dbraw/zinc/96/73/68/825967368.db2.gz SXUXPYNWMQAHTO-MWLCHTKSSA-N 1 0 265.269 -0.502 20 5 CBBDRO C[C@@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]1 ZINC001261494991 826525445 /nfs/dbraw/zinc/52/54/45/826525445.db2.gz MUZGEULUIKTVGE-SFYZADRCSA-N 1 0 268.277 -0.557 20 5 CBBDRO C[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]1 ZINC001261494990 826525944 /nfs/dbraw/zinc/52/59/44/826525944.db2.gz MUZGEULUIKTVGE-JGVFFNPUSA-N 1 0 268.277 -0.557 20 5 CBBDRO CCC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001266283857 826972488 /nfs/dbraw/zinc/97/24/88/826972488.db2.gz XLHXDIGDROWLPC-VXGBXAGGSA-N 1 0 284.360 -0.205 20 5 CBBDRO CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450351 827332306 /nfs/dbraw/zinc/33/23/06/827332306.db2.gz UIHBRZQJQJDAMZ-GHMZBOCLSA-N 1 0 298.343 -0.678 20 5 CBBDRO CCN(CC[NH2+]CCCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273375221 827896272 /nfs/dbraw/zinc/89/62/72/827896272.db2.gz QTLOZJQSDZIGOP-NXEZZACHSA-N 1 0 259.306 -0.528 20 5 CBBDRO CN1CC[C@H](N2CCC([NH2+]CC[N+](=O)[O-])CC2)C1=O ZINC001346339141 890271179 /nfs/dbraw/zinc/27/11/79/890271179.db2.gz KEWXCYYNZUFWBD-NSHDSACASA-N 1 0 270.333 -0.452 20 5 CBBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC001464883039 915024703 /nfs/dbraw/zinc/02/47/03/915024703.db2.gz RYWSIZLAHHQMOX-QJPTWQEYSA-N 1 0 284.360 -0.349 20 5 CBBDRO CCOC(=O)C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001204840758 884751501 /nfs/dbraw/zinc/75/15/01/884751501.db2.gz UBIQJGWEBFXWML-SECBINFHSA-N 1 0 276.309 -0.881 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[NH2+]1 ZINC001326046568 884886456 /nfs/dbraw/zinc/88/64/56/884886456.db2.gz GMVLQQITMXVBOZ-SSDOTTSWSA-N 1 0 253.262 -0.190 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001326093293 884905832 /nfs/dbraw/zinc/90/58/32/884905832.db2.gz QKICNAXLURRGKX-ZETCQYMHSA-N 1 0 269.261 -0.872 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001326168540 884931824 /nfs/dbraw/zinc/93/18/24/884931824.db2.gz MAVMTNJVPSHDJF-SFYZADRCSA-N 1 0 265.273 -0.238 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC001326201585 884941307 /nfs/dbraw/zinc/94/13/07/884941307.db2.gz XGGWOCFDCKYBIR-HOSYDEDBSA-N 1 0 282.300 -0.321 20 5 CBBDRO [NH3+]C1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001326297637 884977241 /nfs/dbraw/zinc/97/72/41/884977241.db2.gz NFKNGXHTNPOVMF-UHFFFAOYSA-N 1 0 268.277 -0.428 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001326400176 885016714 /nfs/dbraw/zinc/01/67/14/885016714.db2.gz GKCLDBZEHHCCSB-OCAPTIKFSA-N 1 0 265.273 -0.380 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001326597331 885080376 /nfs/dbraw/zinc/08/03/76/885080376.db2.gz BCFBKNHRMRFJOA-VIFPVBQESA-N 1 0 283.288 -0.714 20 5 CBBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001326702508 885114791 /nfs/dbraw/zinc/11/47/91/885114791.db2.gz MCGZHRHPFDFFFQ-YUMQZZPRSA-N 1 0 268.277 -0.476 20 5 CBBDRO [NH3+]C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001327073325 885246092 /nfs/dbraw/zinc/24/60/92/885246092.db2.gz SYEXDNPRDYORPF-UHFFFAOYSA-N 1 0 280.284 -0.294 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001328331448 885639752 /nfs/dbraw/zinc/63/97/52/885639752.db2.gz CIUGVDQBHWNWLS-MRVPVSSYSA-N 1 0 283.288 -0.563 20 5 CBBDRO NC(=O)[C@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCOC1 ZINC001329020064 885887667 /nfs/dbraw/zinc/88/76/67/885887667.db2.gz YIVXYOMNBRMDHG-JTQLQIEISA-N 1 0 269.261 -0.975 20 5 CBBDRO NC(=O)[C@@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCOC1 ZINC001329020065 885888203 /nfs/dbraw/zinc/88/82/03/885888203.db2.gz YIVXYOMNBRMDHG-SNVBAGLBSA-N 1 0 269.261 -0.975 20 5 CBBDRO C[NH+](C)CC1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC001329320907 886014388 /nfs/dbraw/zinc/01/43/88/886014388.db2.gz JCPBEEPPGHZQOK-UHFFFAOYSA-N 1 0 267.289 -0.189 20 5 CBBDRO C[NH2+]C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001329483832 886090302 /nfs/dbraw/zinc/09/03/02/886090302.db2.gz NKRGYJCLPWZXFV-SNVBAGLBSA-N 1 0 294.311 -0.176 20 5 CBBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001329518842 886103646 /nfs/dbraw/zinc/10/36/46/886103646.db2.gz CMJGZYGSHIBLSG-RQJHMYQMSA-N 1 0 256.266 -0.572 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001331883311 887029730 /nfs/dbraw/zinc/02/97/30/887029730.db2.gz QGQSKEFDNXSILS-ZETCQYMHSA-N 1 0 269.261 -0.886 20 5 CBBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001332449491 887288455 /nfs/dbraw/zinc/28/84/55/887288455.db2.gz GDTJNUYXBRUWNG-VIFPVBQESA-N 1 0 282.304 -0.226 20 5 CBBDRO CS(=O)(=O)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC001336136597 888704435 /nfs/dbraw/zinc/70/44/35/888704435.db2.gz RNAJSYSDNNYEDI-UHFFFAOYSA-N 1 0 251.308 -0.723 20 5 CBBDRO C[NH+](C)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001338739393 889197541 /nfs/dbraw/zinc/19/75/41/889197541.db2.gz UZIXIJKQJMEQJT-UHFFFAOYSA-N 1 0 282.304 -0.261 20 5 CBBDRO CC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CCOC)CC1 ZINC001341518327 889615412 /nfs/dbraw/zinc/61/54/12/889615412.db2.gz WOILSFRYGRDPHL-UHFFFAOYSA-N 1 0 298.347 -0.157 20 5 CBBDRO [NH3+]CC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)F ZINC001346055725 890203898 /nfs/dbraw/zinc/20/38/98/890203898.db2.gz DEFSMFDMTWLHMB-RXMQYKEDSA-N 1 0 278.219 -0.715 20 5 CBBDRO [NH3+]CC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F ZINC001348945075 890730485 /nfs/dbraw/zinc/73/04/85/890730485.db2.gz VFJPEUIEMGIYPK-YFKPBYRVSA-N 1 0 296.209 -0.418 20 5 CBBDRO O=c1[nH]ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC001350491093 890994956 /nfs/dbraw/zinc/99/49/56/890994956.db2.gz WZKUBDSOUBPQRB-SECBINFHSA-N 1 0 280.284 -0.049 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH3+])C2)n1 ZINC001351352569 891132835 /nfs/dbraw/zinc/13/28/35/891132835.db2.gz OPCMSZXOMCALFE-ZCFIWIBFSA-N 1 0 275.290 -0.950 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC([NH2+]C2CCOCC2)C1 ZINC001455794766 914411791 /nfs/dbraw/zinc/41/17/91/914411791.db2.gz HLHKODHSBTZJFC-GHMZBOCLSA-N 1 0 269.301 -0.369 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC001460220869 914772561 /nfs/dbraw/zinc/77/25/61/914772561.db2.gz MMWZMIXUJVITPL-PSASIEDQSA-N 1 0 256.262 -0.924 20 5 CBBDRO Cn1cc(CN2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC001460523420 914794078 /nfs/dbraw/zinc/79/40/78/914794078.db2.gz YNJLPLHLILRYHM-UWVGGRQHSA-N 1 0 270.289 -0.639 20 5 CBBDRO NC(=O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC001473643584 915845904 /nfs/dbraw/zinc/84/59/04/915845904.db2.gz TVTQUAHWNJFQPM-AOOOYVTPSA-N 1 0 292.295 -0.387 20 5 CBBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001473763024 915854274 /nfs/dbraw/zinc/85/42/74/915854274.db2.gz PXJKSWITVPXCFO-VIFPVBQESA-N 1 0 267.289 -0.095 20 5 CBBDRO COCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497584163 920343460 /nfs/dbraw/zinc/34/34/60/920343460.db2.gz OPCVNNMRKUAQCI-JAFKPYBISA-N 1 0 257.290 -0.440 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001521976757 922394820 /nfs/dbraw/zinc/39/48/20/922394820.db2.gz WXNDRVIZEAWSKR-QMMMGPOBSA-N 1 0 280.284 -0.206 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001547268582 923342658 /nfs/dbraw/zinc/34/26/58/923342658.db2.gz FBFZGLCWDKDRQI-UHFFFAOYSA-N 1 0 297.315 -0.120 20 5 CBBDRO O=C(CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC001556608227 924068920 /nfs/dbraw/zinc/06/89/20/924068920.db2.gz FNFAPYKDTOSUBF-GHMZBOCLSA-N 1 0 298.343 -0.630 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000351829760 219219286 /nfs/dbraw/zinc/21/92/86/219219286.db2.gz OUCPNSDKJRVRLX-IUCAKERBSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[C@@H](O)C[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000351936887 219255025 /nfs/dbraw/zinc/25/50/25/219255025.db2.gz MWCBIPFMQDILCL-SECBINFHSA-N 1 0 258.278 -0.534 20 5 CBBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000352119219 219327420 /nfs/dbraw/zinc/32/74/20/219327420.db2.gz CTUHLPMZTBNEKS-NSHDSACASA-N 1 0 285.304 -0.250 20 5 CBBDRO CC[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037888175 351410044 /nfs/dbraw/zinc/41/00/44/351410044.db2.gz OHTZDYFKOQFSTR-PSASIEDQSA-N 1 0 258.278 -0.487 20 5 CBBDRO C[NH+](C)CCN1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000077455515 351681243 /nfs/dbraw/zinc/68/12/43/351681243.db2.gz SCUCLBZRTLYFPD-NEPJUHHUSA-N 1 0 284.360 -0.253 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000075746098 351671234 /nfs/dbraw/zinc/67/12/34/351671234.db2.gz GCXZQCZBCAFYFG-SNVBAGLBSA-N 1 0 272.305 -0.145 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](O)C1 ZINC000090526207 351740641 /nfs/dbraw/zinc/74/06/41/351740641.db2.gz MFSIIPOHSDZWMB-JTQLQIEISA-N 1 0 253.258 -0.177 20 5 CBBDRO [NH3+][C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000137343889 351923061 /nfs/dbraw/zinc/92/30/61/351923061.db2.gz HZQZMUZNDPDXOZ-SNVBAGLBSA-N 1 0 280.284 -0.390 20 5 CBBDRO Cn1cc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000149015752 351929905 /nfs/dbraw/zinc/92/99/05/351929905.db2.gz YEYAMWXHHXRTML-LBPRGKRZSA-N 1 0 294.315 -0.282 20 5 CBBDRO C[C@@H](CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000132961369 351896421 /nfs/dbraw/zinc/89/64/21/351896421.db2.gz OZFZTGIYSMVMKZ-WCBMZHEXSA-N 1 0 258.278 -0.487 20 5 CBBDRO CCC[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134409344 351905496 /nfs/dbraw/zinc/90/54/96/351905496.db2.gz ZJAQLZIMRZKXND-MNOVXSKESA-N 1 0 272.305 -0.097 20 5 CBBDRO CC(C)(CO)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135091427 351910969 /nfs/dbraw/zinc/91/09/69/351910969.db2.gz VDMGLYHKYPRKMR-SNVBAGLBSA-N 1 0 272.305 -0.240 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000159112920 351961461 /nfs/dbraw/zinc/96/14/61/351961461.db2.gz SSTARJRCWNGEQV-VIFPVBQESA-N 1 0 267.289 -0.047 20 5 CBBDRO NC(=O)c1ccc(CN2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000165009644 351985525 /nfs/dbraw/zinc/98/55/25/351985525.db2.gz MERJKXGJYSIHOL-LLVKDONJSA-N 1 0 294.311 -0.147 20 5 CBBDRO C[C@@H](CN(C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000168904125 351995761 /nfs/dbraw/zinc/99/57/61/351995761.db2.gz IAHNYXZGBHSHDT-GXSJLCMTSA-N 1 0 271.321 -0.308 20 5 CBBDRO CC(C)NC(=O)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174708168 352049149 /nfs/dbraw/zinc/04/91/49/352049149.db2.gz PNXFGDJRFXOHRA-NSHDSACASA-N 1 0 299.331 -0.391 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000174649576 352049314 /nfs/dbraw/zinc/04/93/14/352049314.db2.gz IOBVTAHBCCELMF-QWRGUYRKSA-N 1 0 270.289 -0.391 20 5 CBBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000186820327 352132483 /nfs/dbraw/zinc/13/24/83/352132483.db2.gz BUCRDJPIUVKGFK-RKDXNWHRSA-N 1 0 267.289 -0.095 20 5 CBBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000185196964 352117246 /nfs/dbraw/zinc/11/72/46/352117246.db2.gz YIWORVQUTBKBER-BBBLOLIVSA-N 1 0 279.300 -0.013 20 5 CBBDRO C[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193130706 352203145 /nfs/dbraw/zinc/20/31/45/352203145.db2.gz YTYDFEGRQJGKLB-UHFFFAOYSA-N 1 0 267.289 -0.045 20 5 CBBDRO Cn1c(C(=O)NC[C@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000236080319 352288236 /nfs/dbraw/zinc/28/82/36/352288236.db2.gz CGQPICITYHTLDE-QMMMGPOBSA-N 1 0 268.273 -0.349 20 5 CBBDRO Cn1c(C(=O)NC[C@@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000236080186 352288654 /nfs/dbraw/zinc/28/86/54/352288654.db2.gz CGQPICITYHTLDE-MRVPVSSYSA-N 1 0 268.273 -0.349 20 5 CBBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237098802 352299768 /nfs/dbraw/zinc/29/97/68/352299768.db2.gz OLQVHHXEDPXRTG-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO C[C@@H](C[NH3+])CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000237330694 352303313 /nfs/dbraw/zinc/30/33/13/352303313.db2.gz BAJWLSRVNOSSKQ-QMMMGPOBSA-N 1 0 255.278 -0.108 20 5 CBBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237614702 352308286 /nfs/dbraw/zinc/30/82/86/352308286.db2.gz ACUVQDZZCZTGAN-VHSXEESVSA-N 1 0 294.311 -0.035 20 5 CBBDRO [NH3+]C[C@H]1CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000238040756 352312792 /nfs/dbraw/zinc/31/27/92/352312792.db2.gz GGMNLKMOXPLZRK-MRVPVSSYSA-N 1 0 253.262 -0.259 20 5 CBBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC000248586074 352354172 /nfs/dbraw/zinc/35/41/72/352354172.db2.gz GDIMCROPUZEUFC-DVVUODLYSA-N 1 0 279.300 -0.013 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000246692789 352337262 /nfs/dbraw/zinc/33/72/62/352337262.db2.gz IOBVTAHBCCELMF-MNOVXSKESA-N 1 0 270.289 -0.391 20 5 CBBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261924167 352400968 /nfs/dbraw/zinc/40/09/68/352400968.db2.gz ZZKIMBQMYTWOOI-BDAKNGLRSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000248935424 352358429 /nfs/dbraw/zinc/35/84/29/352358429.db2.gz NDNZQPUZEQHOCY-NXEZZACHSA-N 1 0 272.305 -0.145 20 5 CBBDRO C[C@@H](O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)CO ZINC000248957758 352358777 /nfs/dbraw/zinc/35/87/77/352358777.db2.gz QMSURNZKPXZMGW-NXEZZACHSA-N 1 0 272.305 -0.145 20 5 CBBDRO Nc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000274843617 352546020 /nfs/dbraw/zinc/54/60/20/352546020.db2.gz XCCDJBAEGGTNKR-SECBINFHSA-N 1 0 280.284 -0.023 20 5 CBBDRO CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000271011000 352507277 /nfs/dbraw/zinc/50/72/77/352507277.db2.gz ZTRCZUQHSIEYRD-ADEWGFFLSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@@H](C[NH+](C)C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000286868108 352650496 /nfs/dbraw/zinc/65/04/96/352650496.db2.gz CXBHVRYJCRSZJX-QMMMGPOBSA-N 1 0 255.278 -0.142 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290073551 352671782 /nfs/dbraw/zinc/67/17/82/352671782.db2.gz IJYSUAOJNZQNQO-UWVGGRQHSA-N 1 0 279.300 -0.141 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@H]2CO)c1 ZINC000300740881 352734988 /nfs/dbraw/zinc/73/49/88/352734988.db2.gz VLYAAMMWKRHEDC-WCQGTBRESA-N 1 0 284.316 -0.097 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)C1CC1 ZINC000304788100 352747249 /nfs/dbraw/zinc/74/72/49/352747249.db2.gz QBJUAQXSWKBRAO-NWDGAFQWSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000305764401 352750935 /nfs/dbraw/zinc/75/09/35/352750935.db2.gz PHAHWUNPXZMYNF-JLLWLGSASA-N 1 0 284.316 -0.145 20 5 CBBDRO [NH3+][C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000158452200 188376623 /nfs/dbraw/zinc/37/66/23/188376623.db2.gz UKSRJZLZFIADKW-VIFPVBQESA-N 1 0 280.284 -0.294 20 5 CBBDRO C[C@@H](CC[NH3+])NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000349938232 353468587 /nfs/dbraw/zinc/46/85/87/353468587.db2.gz PNFSXAVGUFMYBR-QMMMGPOBSA-N 1 0 268.273 -0.390 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1COC[C@H]1O ZINC000352801307 353506265 /nfs/dbraw/zinc/50/62/65/353506265.db2.gz JVAKOYWVQAIGFC-WDEREUQCSA-N 1 0 283.284 -0.552 20 5 CBBDRO CCn1cc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])n1 ZINC000353217843 353529121 /nfs/dbraw/zinc/52/91/21/353529121.db2.gz MVPSIVYGYOUKLH-ZETCQYMHSA-N 1 0 291.333 -0.221 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1O ZINC000352661011 353500060 /nfs/dbraw/zinc/50/00/60/353500060.db2.gz QEMYBLCNIUGYTB-TUAOUCFPSA-N 1 0 284.316 -0.003 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354345262 353556096 /nfs/dbraw/zinc/55/60/96/353556096.db2.gz YVVYWKIZFPBFEU-SNVBAGLBSA-N 1 0 271.277 -0.640 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354345261 353556370 /nfs/dbraw/zinc/55/63/70/353556370.db2.gz YVVYWKIZFPBFEU-JTQLQIEISA-N 1 0 271.277 -0.640 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000358047610 353621139 /nfs/dbraw/zinc/62/11/39/353621139.db2.gz MBFMQYMPBYJZKP-NSHDSACASA-N 1 0 269.257 -0.016 20 5 CBBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000358286165 353635662 /nfs/dbraw/zinc/63/56/62/353635662.db2.gz HUFJMMWUXRJXRK-VIFPVBQESA-N 1 0 282.304 -0.357 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358325077 353638020 /nfs/dbraw/zinc/63/80/20/353638020.db2.gz AJBNCTZGVASSFF-JTQLQIEISA-N 1 0 255.278 -0.193 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000358038637 353620375 /nfs/dbraw/zinc/62/03/75/353620375.db2.gz BMJZJJNSRBVGFI-ZDUSSCGKSA-N 1 0 294.311 -0.027 20 5 CBBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C2)CC1 ZINC000371597497 353704264 /nfs/dbraw/zinc/70/42/64/353704264.db2.gz QNNFJNROQVMJEB-UPJWGTAASA-N 1 0 296.371 -0.110 20 5 CBBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408152495 353859744 /nfs/dbraw/zinc/85/97/44/353859744.db2.gz AUQNKKYGDPQHIY-NXEZZACHSA-N 1 0 294.315 -0.119 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000408373794 353907052 /nfs/dbraw/zinc/90/70/52/353907052.db2.gz MSXBWWDSBLJPTK-DTORHVGOSA-N 1 0 279.300 -0.038 20 5 CBBDRO COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCC[NH2+]1 ZINC000423634099 354186421 /nfs/dbraw/zinc/18/64/21/354186421.db2.gz MKJCYFHQQAXYCF-LLVKDONJSA-N 1 0 283.288 -0.184 20 5 CBBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000424215912 354219410 /nfs/dbraw/zinc/21/94/10/354219410.db2.gz HZDKWOCFBHHEAR-HTQZYQBOSA-N 1 0 268.277 -0.428 20 5 CBBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488810944 354427683 /nfs/dbraw/zinc/42/76/83/354427683.db2.gz WUCCSYUSPSLFCE-FOGDFJRCSA-N 1 0 284.316 -0.145 20 5 CBBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000519534498 354561656 /nfs/dbraw/zinc/56/16/56/354561656.db2.gz AREXGPKOWWZXOO-NGZCFLSTSA-N 1 0 298.299 -0.307 20 5 CBBDRO C[C@H]1CC[N@H+](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000525291970 354570989 /nfs/dbraw/zinc/57/09/89/354570989.db2.gz VHHGNDDFRPCCBF-VIFPVBQESA-N 1 0 282.304 -0.356 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000547274064 354657739 /nfs/dbraw/zinc/65/77/39/354657739.db2.gz WEUBGZBKPJVPMZ-LBPRGKRZSA-N 1 0 280.284 -0.214 20 5 CBBDRO [NH3+][C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN2C1=O ZINC000563431264 354704365 /nfs/dbraw/zinc/70/43/65/354704365.db2.gz LRHMKMCLEJQBOI-VHSXEESVSA-N 1 0 277.284 -0.262 20 5 CBBDRO C[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000565706569 354743850 /nfs/dbraw/zinc/74/38/50/354743850.db2.gz KJBPWBJHZYLPGY-MRVPVSSYSA-N 1 0 292.295 -0.140 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000578235912 354942020 /nfs/dbraw/zinc/94/20/20/354942020.db2.gz JEYUXNAOKCTFFL-QMMMGPOBSA-N 1 0 282.304 -0.957 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]12C[C@H]1CC[NH2+]2 ZINC000578879799 354957206 /nfs/dbraw/zinc/95/72/06/354957206.db2.gz JLUHBLCEXVPXIQ-KCJUWKMLSA-N 1 0 265.273 -0.341 20 5 CBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000579709873 354978006 /nfs/dbraw/zinc/97/80/06/354978006.db2.gz MCTUMOLXQQDTKM-VIFPVBQESA-N 1 0 295.299 -0.671 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000580191611 354990077 /nfs/dbraw/zinc/99/00/77/354990077.db2.gz QCRCCEUNBDZOIE-NKWVEPMBSA-N 1 0 291.333 -0.175 20 5 CBBDRO CCCc1n[nH]c(C(=O)NC[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC000580714351 354996698 /nfs/dbraw/zinc/99/66/98/354996698.db2.gz SNEYTWKSWHUOSH-MRVPVSSYSA-N 1 0 297.315 -0.011 20 5 CBBDRO O=c1c(F)cc([N+](=O)[O-])cn1CCN1CC[NH2+]CC1 ZINC000582299613 355012494 /nfs/dbraw/zinc/01/24/94/355012494.db2.gz WHVDQEPNENAYBR-UHFFFAOYSA-N 1 0 270.264 -0.199 20 5 CBBDRO COCC[NH2+]CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000583629711 355021060 /nfs/dbraw/zinc/02/10/60/355021060.db2.gz YQMHPRXCKNTQPH-UHFFFAOYSA-N 1 0 271.277 -0.857 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590369825 355076361 /nfs/dbraw/zinc/07/63/61/355076361.db2.gz OMYGQKNMYHAQPE-MRVPVSSYSA-N 1 0 284.272 -0.652 20 5 CBBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000590371620 355076440 /nfs/dbraw/zinc/07/64/40/355076440.db2.gz PANIQSLVQVPHBE-MRVPVSSYSA-N 1 0 283.288 -0.496 20 5 CBBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000590445751 355080799 /nfs/dbraw/zinc/08/07/99/355080799.db2.gz RPAWIOGWPCVYJC-BDAKNGLRSA-N 1 0 280.288 -0.651 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000588864659 355062278 /nfs/dbraw/zinc/06/22/78/355062278.db2.gz LTCFJBHFTYCSHL-SNVBAGLBSA-N 1 0 299.331 -0.471 20 5 CBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000591684179 355107846 /nfs/dbraw/zinc/10/78/46/355107846.db2.gz CDYMBOVICPTXIH-SNVBAGLBSA-N 1 0 296.331 -0.799 20 5 CBBDRO O=C1CCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)N1 ZINC000591763889 355112939 /nfs/dbraw/zinc/11/29/39/355112939.db2.gz PVKQYONFNAFERJ-GXSJLCMTSA-N 1 0 297.315 -0.590 20 5 CBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c([N+](=O)[O-])ncn1C ZINC000591982689 355124006 /nfs/dbraw/zinc/12/40/06/355124006.db2.gz PVALMENUXHNDAA-SECBINFHSA-N 1 0 296.331 -0.116 20 5 CBBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592201757 355140393 /nfs/dbraw/zinc/14/03/93/355140393.db2.gz GUZLEQVTWZYVGV-JLLWLGSASA-N 1 0 284.316 -0.003 20 5 CBBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000592224679 355144525 /nfs/dbraw/zinc/14/45/25/355144525.db2.gz OFGSFAVQKKEIRM-SCZZXKLOSA-N 1 0 267.289 -0.095 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308920 355147138 /nfs/dbraw/zinc/14/71/38/355147138.db2.gz PBTBEQLXPPPXTA-SVRRBLITSA-N 1 0 283.288 -0.185 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000592308399 355147401 /nfs/dbraw/zinc/14/74/01/355147401.db2.gz LIUIEOGZDDNTNE-POYBYMJQSA-N 1 0 269.261 -0.494 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000592310029 355147514 /nfs/dbraw/zinc/14/75/14/355147514.db2.gz VFJZZPSDPYVYHN-SCZZXKLOSA-N 1 0 297.315 -0.001 20 5 CBBDRO C[C@H](CCO)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593107864 355195367 /nfs/dbraw/zinc/19/53/67/355195367.db2.gz PFUUHQFJONCYSC-KOLCDFICSA-N 1 0 272.305 -0.145 20 5 CBBDRO O=C(C[NH2+]C(CO)CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594002594 355233827 /nfs/dbraw/zinc/23/38/27/355233827.db2.gz RMHGTULFQYBAQD-UHFFFAOYSA-N 1 0 295.295 -0.573 20 5 CBBDRO C[C@H](O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000594064169 355236226 /nfs/dbraw/zinc/23/62/26/355236226.db2.gz KZRRLDACWPUBBA-JOYOIKCWSA-N 1 0 284.316 -0.003 20 5 CBBDRO C[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595105466 355271618 /nfs/dbraw/zinc/27/16/18/355271618.db2.gz PQRXJNFULFUDFE-UHFFFAOYSA-N 1 0 274.302 -0.122 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@H](C)C[NH2+]C)c([N+](=O)[O-])n1 ZINC000595119072 355272416 /nfs/dbraw/zinc/27/24/16/355272416.db2.gz LGAGCLMPDGRAQG-SSDOTTSWSA-N 1 0 291.333 -0.303 20 5 CBBDRO [NH3+]CCN(Cc1csc([N+](=O)[O-])c1)C[C@H](O)CO ZINC000595901149 355316379 /nfs/dbraw/zinc/31/63/79/355316379.db2.gz BOBJOKGFGCRGHX-VIFPVBQESA-N 1 0 275.330 -0.230 20 5 CBBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C1(O)C[NH2+]C1 ZINC000595940207 355322508 /nfs/dbraw/zinc/32/25/08/355322508.db2.gz OTSQFISSZSVXAP-UHFFFAOYSA-N 1 0 265.269 -0.412 20 5 CBBDRO [NH3+]CC12CC(C1)CN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000595944185 355324469 /nfs/dbraw/zinc/32/44/69/355324469.db2.gz WASJCXLWUSFXHF-UHFFFAOYSA-N 1 0 251.246 -0.119 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000595948716 355325100 /nfs/dbraw/zinc/32/51/00/355325100.db2.gz VJFPYGUWIQJUDM-UHFFFAOYSA-N 1 0 279.300 -0.032 20 5 CBBDRO CN(CC(C)(C)[NH3+])C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000595963089 355330500 /nfs/dbraw/zinc/33/05/00/355330500.db2.gz ZPYIUXZZENRSFU-UHFFFAOYSA-N 1 0 256.266 -0.618 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000596067399 355340190 /nfs/dbraw/zinc/34/01/90/355340190.db2.gz MDDMCLFZYYKAAL-HGNGGELXSA-N 1 0 256.262 -0.735 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000597654141 355403453 /nfs/dbraw/zinc/40/34/53/355403453.db2.gz OVJXADGDMFGAII-QMMMGPOBSA-N 1 0 270.289 -0.414 20 5 CBBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000597534334 355394635 /nfs/dbraw/zinc/39/46/35/355394635.db2.gz WRWHAFRHXVJTQX-RKDXNWHRSA-N 1 0 282.304 -0.215 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000597573640 355396861 /nfs/dbraw/zinc/39/68/61/355396861.db2.gz HGZGGORCFCGQLR-LBPRGKRZSA-N 1 0 297.315 -0.153 20 5 CBBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097738 355463462 /nfs/dbraw/zinc/46/34/62/355463462.db2.gz MCZXPSFEXWGLMW-ZCFIWIBFSA-N 1 0 277.306 -0.704 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599681345 355508681 /nfs/dbraw/zinc/50/86/81/355508681.db2.gz NKJZHRIIDWXENC-FTYKPCCVSA-N 1 0 296.327 -0.003 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1COCC[NH2+]1 ZINC000599922036 355518058 /nfs/dbraw/zinc/51/80/58/355518058.db2.gz XPUWMVJJHRJKJP-VIFPVBQESA-N 1 0 298.303 -0.921 20 5 CBBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]21 ZINC000599992029 355522825 /nfs/dbraw/zinc/52/28/25/355522825.db2.gz OXTUBVKLVMVWEU-MTBHXBHISA-N 1 0 265.273 -0.050 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588650 355662904 /nfs/dbraw/zinc/66/29/04/355662904.db2.gz NIXIDTNCQYWFOP-IUCAKERBSA-N 1 0 265.273 -0.328 20 5 CBBDRO CNC(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602699814 355667535 /nfs/dbraw/zinc/66/75/35/355667535.db2.gz RQTXEGVWRFDJRC-QMMMGPOBSA-N 1 0 267.289 -0.104 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608905886 355765335 /nfs/dbraw/zinc/76/53/35/355765335.db2.gz LJEJHXZSHHXAGY-SNVBAGLBSA-N 1 0 294.315 -0.117 20 5 CBBDRO C[N@@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000604532468 355726135 /nfs/dbraw/zinc/72/61/35/355726135.db2.gz PIDSPGUGHAEMSA-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714621 355786316 /nfs/dbraw/zinc/78/63/16/355786316.db2.gz ZZTGSHMQWFOHBW-SCZZXKLOSA-N 1 0 294.315 -0.215 20 5 CBBDRO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CC([NH3+])C1 ZINC000294881934 199228592 /nfs/dbraw/zinc/22/85/92/199228592.db2.gz QDXBJKYXEKZCNA-UHFFFAOYSA-N 1 0 253.262 -0.261 20 5 CBBDRO C[C@]1(O)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178013449 189085944 /nfs/dbraw/zinc/08/59/44/189085944.db2.gz JSRDGCSYONGVEG-QWRGUYRKSA-N 1 0 270.289 -0.391 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000178740751 189142017 /nfs/dbraw/zinc/14/20/17/189142017.db2.gz WSATXCZYPZRISC-SECBINFHSA-N 1 0 267.289 -0.032 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[C@@H]1CC[NH2+]C1 ZINC000178944634 189156583 /nfs/dbraw/zinc/15/65/83/189156583.db2.gz MATNGUVWDWINDL-VIFPVBQESA-N 1 0 267.289 -0.093 20 5 CBBDRO CNC(=O)N[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342354983 216322024 /nfs/dbraw/zinc/32/20/24/216322024.db2.gz NTUMPANOTADAQS-VIFPVBQESA-N 1 0 282.304 -0.205 20 5 CBBDRO NC(=O)[C@]1(O)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000276491911 193353113 /nfs/dbraw/zinc/35/31/13/193353113.db2.gz VOSVQCCVZOSAEG-ZDUSSCGKSA-N 1 0 295.295 -0.104 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[NH2+]C1CC1 ZINC000178794965 372841190 /nfs/dbraw/zinc/84/11/90/372841190.db2.gz KIRNEDFIUFAZEP-UHFFFAOYSA-N 1 0 253.262 -0.341 20 5 CBBDRO C[N@H+](CCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281931794 372930350 /nfs/dbraw/zinc/93/03/50/372930350.db2.gz SNNHOMBEGMQKGU-SNVBAGLBSA-N 1 0 258.278 -0.534 20 5 CBBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1COC[C@H]1O ZINC000286100935 372958247 /nfs/dbraw/zinc/95/82/47/372958247.db2.gz UAQZAFHYQQSVJK-RKDXNWHRSA-N 1 0 256.262 -0.517 20 5 CBBDRO CC1(C)[C@@H](O)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361420759 373292898 /nfs/dbraw/zinc/29/28/98/373292898.db2.gz PIZKTBPPTNTXPI-QWRGUYRKSA-N 1 0 284.316 -0.003 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000361361139 373282389 /nfs/dbraw/zinc/28/23/89/373282389.db2.gz CBDDWZBTFOHEDA-UHFFFAOYSA-N 1 0 290.283 -0.013 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397045 373402491 /nfs/dbraw/zinc/40/24/91/373402491.db2.gz QMNPXVZYWKVKIO-IUCAKERBSA-N 1 0 295.299 -0.089 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000561784858 374303366 /nfs/dbraw/zinc/30/33/66/374303366.db2.gz NAQOLDHVJGWQRK-ZYHUDNBSSA-N 1 0 297.311 -0.568 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000554744086 374282942 /nfs/dbraw/zinc/28/29/42/374282942.db2.gz WBDPDCHIKUVTOO-ONGXEEELSA-N 1 0 270.289 -0.534 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000579714778 374354460 /nfs/dbraw/zinc/35/44/60/374354460.db2.gz VUXLCPBWDDVANW-AOOOYVTPSA-N 1 0 294.311 -0.035 20 5 CBBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1c[nH]nc1[N+](=O)[O-] ZINC000574530771 335027448 /nfs/dbraw/zinc/02/74/48/335027448.db2.gz GNUBCPKARJLDTQ-GFCCVEGCSA-N 1 0 295.299 -0.496 20 5 CBBDRO C[C@H]1[NH2+]CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000262704942 190061455 /nfs/dbraw/zinc/06/14/55/190061455.db2.gz BJMCSOPRDMHVDQ-ZJUUUORDSA-N 1 0 294.311 -0.035 20 5 CBBDRO COCCN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000264103246 190091336 /nfs/dbraw/zinc/09/13/36/190091336.db2.gz AYATWQRPPMLMRE-UHFFFAOYSA-N 1 0 299.331 -0.172 20 5 CBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000264584181 190120521 /nfs/dbraw/zinc/12/05/21/190120521.db2.gz UZEKMAHBWWVKOM-SNVBAGLBSA-N 1 0 297.315 -0.372 20 5 CBBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465033 248253302 /nfs/dbraw/zinc/25/33/02/248253302.db2.gz VKLFEYCVUQZVKY-UHFFFAOYSA-N 1 0 299.331 -0.022 20 5 CBBDRO C[C@@H]1[C@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000356870078 248296920 /nfs/dbraw/zinc/29/69/20/248296920.db2.gz CXQPOMRPSYSSIA-BDAKNGLRSA-N 1 0 282.304 -0.263 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000356926269 248301146 /nfs/dbraw/zinc/30/11/46/248301146.db2.gz SQLGKBIEJOVXFQ-ZJUUUORDSA-N 1 0 294.311 -0.035 20 5 CBBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357295160 248347549 /nfs/dbraw/zinc/34/75/49/248347549.db2.gz JTWOCKPBKPGEJD-NQMVMOMDSA-N 1 0 282.304 -0.311 20 5 CBBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357295162 248348194 /nfs/dbraw/zinc/34/81/94/248348194.db2.gz JTWOCKPBKPGEJD-WEDXCCLWSA-N 1 0 282.304 -0.311 20 5 CBBDRO COC[C@@](C)([NH3+])CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357536230 248374175 /nfs/dbraw/zinc/37/41/75/248374175.db2.gz UDUYGPIMBHQQAL-NSHDSACASA-N 1 0 283.288 -0.136 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000368010896 248757482 /nfs/dbraw/zinc/75/74/82/248757482.db2.gz VCHPBAUTGHPPSR-HBNTYKKESA-N 1 0 268.317 -0.842 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278717476 194119448 /nfs/dbraw/zinc/11/94/48/194119448.db2.gz KMLDZBBXBYPQCP-RTXFEEFZSA-N 1 0 298.295 -0.628 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278717484 194119603 /nfs/dbraw/zinc/11/96/03/194119603.db2.gz KMLDZBBXBYPQCP-WCFLWFBJSA-N 1 0 298.295 -0.628 20 5 CBBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](O)[C@@H](O)C1 ZINC000278940965 194221602 /nfs/dbraw/zinc/22/16/02/194221602.db2.gz YDMLIWIKDNHGFH-FXAINCCUSA-N 1 0 295.295 -0.041 20 5 CBBDRO COc1ccc(CNC(=O)CNC(=O)C[NH3+])cc1[N+](=O)[O-] ZINC000347645436 218304575 /nfs/dbraw/zinc/30/45/75/218304575.db2.gz DEDSKBNGDKCNES-UHFFFAOYSA-N 1 0 296.283 -0.706 20 5 CBBDRO CC[C@](C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000133429072 207377584 /nfs/dbraw/zinc/37/75/84/207377584.db2.gz SYSNYXRTHUZPPT-KOLCDFICSA-N 1 0 285.304 -0.604 20 5 CBBDRO CCCC[C@@H](C[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000162750637 207395924 /nfs/dbraw/zinc/39/59/24/207395924.db2.gz BFRGHGMUAOGJHK-QMMMGPOBSA-N 1 0 270.293 -0.180 20 5 CBBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000193569884 207466854 /nfs/dbraw/zinc/46/68/54/207466854.db2.gz SUXYVRUSVAJWFD-MIMYLULJSA-N 1 0 297.315 -0.734 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1=CC[NH2+]CC1 ZINC000427173040 208057935 /nfs/dbraw/zinc/05/79/35/208057935.db2.gz UZYZHXRWSJLACV-UHFFFAOYSA-N 1 0 265.273 -0.173 20 5 CBBDRO [NH3+][C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000428369650 208085668 /nfs/dbraw/zinc/08/56/68/208085668.db2.gz KLTJRBVZAFOQFG-MRVPVSSYSA-N 1 0 266.257 -0.684 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCC[NH2+]C1 ZINC000428628345 208094041 /nfs/dbraw/zinc/09/40/41/208094041.db2.gz UHQMYKIEACZXKZ-JTQLQIEISA-N 1 0 294.311 -0.128 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000429186845 208114126 /nfs/dbraw/zinc/11/41/26/208114126.db2.gz VNAYICGDEIVECD-IUCAKERBSA-N 1 0 267.289 -0.013 20 5 CBBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429262549 208117890 /nfs/dbraw/zinc/11/78/90/208117890.db2.gz JHAQUTAFRZQIRS-SNVBAGLBSA-N 1 0 270.293 -0.324 20 5 CBBDRO COCC[NH2+]CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237288691 285078023 /nfs/dbraw/zinc/07/80/23/285078023.db2.gz OZAWEEGADVAKOU-UHFFFAOYSA-N 1 0 271.277 -0.857 20 5 CBBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000432525460 208228166 /nfs/dbraw/zinc/22/81/66/208228166.db2.gz HUBKPESWBGIUOQ-WPRPVWTQSA-N 1 0 267.289 -0.095 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)c1 ZINC000575040619 335057731 /nfs/dbraw/zinc/05/77/31/335057731.db2.gz BQEBAWYZKOVRJC-UKKRHICBSA-N 1 0 268.273 -0.613 20 5 CBBDRO C[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285046044 196185731 /nfs/dbraw/zinc/18/57/31/196185731.db2.gz PYWPEUMVYCKPEQ-UHFFFAOYSA-N 1 0 296.331 -0.315 20 5 CBBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285688272 196366630 /nfs/dbraw/zinc/36/66/30/196366630.db2.gz VHGZJPWMDKDOIG-UHFFFAOYSA-N 1 0 296.331 -0.315 20 5 CBBDRO COCCN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285744525 196385368 /nfs/dbraw/zinc/38/53/68/196385368.db2.gz YHNMXJKVVPNHAB-UHFFFAOYSA-N 1 0 283.288 -0.278 20 5 CBBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037668499 173610400 /nfs/dbraw/zinc/61/04/00/173610400.db2.gz POHDPCZDTWUIJU-QWRGUYRKSA-N 1 0 265.269 -0.066 20 5 CBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000038031257 174024228 /nfs/dbraw/zinc/02/42/28/174024228.db2.gz BZJOJCCJVAKAKK-UHFFFAOYSA-N 1 0 295.299 -0.573 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCOC2)c1 ZINC000038094672 174108051 /nfs/dbraw/zinc/10/80/51/174108051.db2.gz PVIODNXTGGEGMR-ONGXEEELSA-N 1 0 270.289 -0.222 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCOC2)c1 ZINC000038094674 174108274 /nfs/dbraw/zinc/10/82/74/174108274.db2.gz PVIODNXTGGEGMR-KOLCDFICSA-N 1 0 270.289 -0.222 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000237430552 419582683 /nfs/dbraw/zinc/58/26/83/419582683.db2.gz FCNMLGJHISJGRW-IUCAKERBSA-N 1 0 282.304 -0.085 20 5 CBBDRO C[NH+](C)C1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290977826 419612252 /nfs/dbraw/zinc/61/22/52/419612252.db2.gz RAAVQYMBIQCQJC-UHFFFAOYSA-N 1 0 265.273 -0.161 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000323256456 419627777 /nfs/dbraw/zinc/62/77/77/419627777.db2.gz FUMLBYGDZAIJFK-GMTAPVOTSA-N 1 0 270.289 -0.345 20 5 CBBDRO C[NH+](C)CCn1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000343368976 419758593 /nfs/dbraw/zinc/75/85/93/419758593.db2.gz GMQUQAKWKKVPBB-UHFFFAOYSA-N 1 0 293.287 0.328 20 5 CBBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n1 ZINC000351958136 419825827 /nfs/dbraw/zinc/82/58/27/419825827.db2.gz JIGIHDURLWSNJN-UHFFFAOYSA-N 1 0 293.287 0.328 20 5 CBBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364934178 420049538 /nfs/dbraw/zinc/04/95/38/420049538.db2.gz JTMDTBDFLXIOIN-VWYCJHECSA-N 1 0 271.317 -0.433 20 5 CBBDRO O=C1NC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]12 ZINC000368232765 420126859 /nfs/dbraw/zinc/12/68/59/420126859.db2.gz SYZIAYHVIBYADT-GXSJLCMTSA-N 1 0 279.300 -0.141 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000368787686 420143064 /nfs/dbraw/zinc/14/30/64/420143064.db2.gz ZHILTRASWCRVFB-GHMZBOCLSA-N 1 0 282.300 -0.391 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN([C@@H]2CCOC2)CC1 ZINC000366052572 420075265 /nfs/dbraw/zinc/07/52/65/420075265.db2.gz LSOIRLLVSICKNZ-GMTAPVOTSA-N 1 0 269.301 -0.415 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366465538 420085670 /nfs/dbraw/zinc/08/56/70/420085670.db2.gz YDIIGKCPKPMPNG-IUCAKERBSA-N 1 0 298.274 -0.427 20 5 CBBDRO CC1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)CC[NH2+]1 ZINC000420283029 420250862 /nfs/dbraw/zinc/25/08/62/420250862.db2.gz SPMAEFUOFDWTLF-UHFFFAOYSA-N 1 0 252.278 0.155 20 5 CBBDRO Cc1nc(NC[C@@H]2C[NH2+]CCN2C)ncc1[N+](=O)[O-] ZINC000420272232 420252334 /nfs/dbraw/zinc/25/23/34/420252334.db2.gz LCKKTWSXMLYOBB-VIFPVBQESA-N 1 0 266.305 0.009 20 5 CBBDRO C[NH2+]C[C@@H](O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519660269 420386578 /nfs/dbraw/zinc/38/65/78/420386578.db2.gz ZGZJZTNIXDMBAO-VXGBXAGGSA-N 1 0 299.327 -0.496 20 5 CBBDRO C[NH2+]CCN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000519767038 420387428 /nfs/dbraw/zinc/38/74/28/420387428.db2.gz GOFPZTIZNDXJRS-UHFFFAOYSA-N 1 0 274.302 -0.170 20 5 CBBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1(O)C[NH2+]C1 ZINC000595953220 420487412 /nfs/dbraw/zinc/48/74/12/420487412.db2.gz XQCKRSLLHJPHDJ-UHFFFAOYSA-N 1 0 277.240 -0.256 20 5 CBBDRO [NH3+]CCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835080 269563324 /nfs/dbraw/zinc/56/33/24/269563324.db2.gz RRBCSPLWWMIKIP-UHFFFAOYSA-N 1 0 279.300 -0.013 20 5 CBBDRO C[C@H](O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)CO ZINC000190836884 290082288 /nfs/dbraw/zinc/08/22/88/290082288.db2.gz DXRGRXIZCHQSOF-QWRGUYRKSA-N 1 0 299.327 -0.180 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)C2CC2)c1 ZINC000565422064 327993612 /nfs/dbraw/zinc/99/36/12/327993612.db2.gz LCMQNVNIFKNXAX-ZYHUDNBSSA-N 1 0 284.316 -0.240 20 5 CBBDRO CC[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000583085301 329312191 /nfs/dbraw/zinc/31/21/91/329312191.db2.gz ZNZGBBPQCZMQNG-QMMMGPOBSA-N 1 0 268.273 -0.390 20 5 CBBDRO [NH3+]CC12CCC(CC1)CN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000568149547 326950714 /nfs/dbraw/zinc/95/07/14/326950714.db2.gz QTSFMLAYVITFIU-UHFFFAOYSA-N 1 0 294.315 -0.084 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584124284 327046069 /nfs/dbraw/zinc/04/60/69/327046069.db2.gz ABXSSGFWJGGGDF-JGVFFNPUSA-N 1 0 280.288 -0.924 20 5 CBBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000573923426 327273195 /nfs/dbraw/zinc/27/31/95/327273195.db2.gz QTGILBJZQRWBFZ-RKDXNWHRSA-N 1 0 282.300 -0.002 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)CO)c1 ZINC000561383132 327390401 /nfs/dbraw/zinc/39/04/01/327390401.db2.gz WXPCMEXYDPEBBB-GHMZBOCLSA-N 1 0 286.284 -0.723 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1C[NH2+]CCC1(F)F ZINC000582548430 329105733 /nfs/dbraw/zinc/10/57/33/329105733.db2.gz YQSRKBRTOSXNRX-ZETCQYMHSA-N 1 0 289.242 -0.095 20 5 CBBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC1C[NH2+]C1 ZINC000583312544 329448417 /nfs/dbraw/zinc/44/84/17/329448417.db2.gz SMBKKHGKNGHAMC-UHFFFAOYSA-N 1 0 292.295 -0.359 20 5 CBBDRO COC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC000580447077 330140233 /nfs/dbraw/zinc/14/02/33/330140233.db2.gz PYKGGILFLSFDKQ-UHFFFAOYSA-N 1 0 297.315 -0.324 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000576159933 335162558 /nfs/dbraw/zinc/16/25/58/335162558.db2.gz MDDMCLFZYYKAAL-SFGNSQDASA-N 1 0 256.262 -0.735 20 5 CBBDRO [NH3+]CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(F)F ZINC000564995274 334533297 /nfs/dbraw/zinc/53/32/97/334533297.db2.gz LGPBFGJDUDBZKX-ZETCQYMHSA-N 1 0 277.231 -0.110 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)C2CC2)c1 ZINC000565422049 334561979 /nfs/dbraw/zinc/56/19/79/334561979.db2.gz LCMQNVNIFKNXAX-CMPLNLGQSA-N 1 0 284.316 -0.240 20 5 CBBDRO C[C@H](C[NH3+])CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565598417 334577897 /nfs/dbraw/zinc/57/78/97/334577897.db2.gz YKVFYAYXTIHJCZ-SSDOTTSWSA-N 1 0 274.302 -0.137 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2)n1 ZINC000568745376 334838574 /nfs/dbraw/zinc/83/85/74/334838574.db2.gz VDYJINRDFGJKGT-UHFFFAOYSA-N 1 0 253.262 -0.143 20 5 CBBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000568867247 334844019 /nfs/dbraw/zinc/84/40/19/334844019.db2.gz PEFVXVZPBSYTPX-YUMQZZPRSA-N 1 0 268.273 -0.392 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1C[NH2+]CCC1(F)F ZINC000577494312 335359141 /nfs/dbraw/zinc/35/91/41/335359141.db2.gz NPTMWVLKZVUASU-LURJTMIESA-N 1 0 290.230 -0.700 20 5 CBBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000581370840 336063163 /nfs/dbraw/zinc/06/31/63/336063163.db2.gz DQTYQVICKUMNBV-VHSXEESVSA-N 1 0 294.311 -0.035 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000581879275 336157356 /nfs/dbraw/zinc/15/73/56/336157356.db2.gz AXDYNGMHVZPOJS-JTQLQIEISA-N 1 0 297.315 -0.406 20 5 CBBDRO CN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000581883046 336159024 /nfs/dbraw/zinc/15/90/24/336159024.db2.gz FGDRRHVKTCMTML-SNVBAGLBSA-N 1 0 296.331 -0.717 20 5 CBBDRO C[C@](O)(CO)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758029 582125183 /nfs/dbraw/zinc/12/51/83/582125183.db2.gz JPBODPDVMUNRBI-NWDGAFQWSA-N 1 0 270.285 -0.039 20 5 CBBDRO CC[N@@H+](CC(=O)NC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743842612 582278313 /nfs/dbraw/zinc/27/83/13/582278313.db2.gz IVNSUGSOYNVSDN-JTQLQIEISA-N 1 0 285.304 -0.780 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000762715344 582317992 /nfs/dbraw/zinc/31/79/92/582317992.db2.gz BGOUPAFWIOOIOZ-CYBMUJFWSA-N 1 0 294.311 -0.027 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCO)C2CC2)c1 ZINC000763060451 582319339 /nfs/dbraw/zinc/31/93/39/582319339.db2.gz UMCGJSLDDLGMCE-NWDGAFQWSA-N 1 0 284.316 -0.097 20 5 CBBDRO C[NH+](C)C1CC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000773490922 582347634 /nfs/dbraw/zinc/34/76/34/582347634.db2.gz IYFMQCXAUNKVMG-UHFFFAOYSA-N 1 0 294.311 -0.035 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787269329 582381011 /nfs/dbraw/zinc/38/10/11/582381011.db2.gz DDKPINPMXOSMAC-CYBMUJFWSA-N 1 0 294.311 -0.027 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000830136455 582921879 /nfs/dbraw/zinc/92/18/79/582921879.db2.gz XZPUZTWHXUEIJR-VIFPVBQESA-N 1 0 267.289 -0.080 20 5 CBBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839663936 583157133 /nfs/dbraw/zinc/15/71/33/583157133.db2.gz VTDSXMZFVIOSQY-GMTAPVOTSA-N 1 0 271.317 -0.121 20 5 CBBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839729748 583158794 /nfs/dbraw/zinc/15/87/94/583158794.db2.gz DNXSOASMPMWLQW-GMTAPVOTSA-N 1 0 285.344 -0.045 20 5 CBBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781346 583160090 /nfs/dbraw/zinc/16/00/90/583160090.db2.gz MYJFJLGAZUVRCW-HBNTYKKESA-N 1 0 271.317 -0.385 20 5 CBBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)CO)c1 ZINC000843064566 583199229 /nfs/dbraw/zinc/19/92/29/583199229.db2.gz ZIBTVPFIKWJUDG-MNOVXSKESA-N 1 0 256.258 -0.429 20 5 CBBDRO O=C(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NCCO ZINC000843072082 583199871 /nfs/dbraw/zinc/19/98/71/583199871.db2.gz TWEUVTOFSAUUGL-NSHDSACASA-N 1 0 283.284 -0.674 20 5 CBBDRO C[NH2+]C[C@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843081721 583200774 /nfs/dbraw/zinc/20/07/74/583200774.db2.gz UQTALSYGTDQZQI-RYUDHWBXSA-N 1 0 269.301 -0.202 20 5 CBBDRO COC(=O)[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843085909 583201190 /nfs/dbraw/zinc/20/11/90/583201190.db2.gz DXUBHNXTSYMHBN-QWRGUYRKSA-N 1 0 284.268 -0.248 20 5 CBBDRO [NH3+]CCN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000852753430 583551651 /nfs/dbraw/zinc/55/16/51/583551651.db2.gz AXKXRRCPZHOFOK-LLVKDONJSA-N 1 0 287.291 -0.152 20 5 CBBDRO [NH3+]C[C@H]1CC(C(=O)NCCn2cc([N+](=O)[O-])cn2)=NO1 ZINC000852887965 583569328 /nfs/dbraw/zinc/56/93/28/583569328.db2.gz FNDSRIMKJNVSPW-MRVPVSSYSA-N 1 0 282.260 -0.989 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854354682 583600363 /nfs/dbraw/zinc/60/03/63/583600363.db2.gz UFQZFHQJYUGUSY-GMTAPVOTSA-N 1 0 268.317 -0.842 20 5 CBBDRO C[NH+](C)CCONC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000854945604 583629188 /nfs/dbraw/zinc/62/91/88/583629188.db2.gz MSULHFVZCVWWSI-UHFFFAOYSA-N 1 0 270.245 -0.082 20 5 CBBDRO O=C1OC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000860160360 583740028 /nfs/dbraw/zinc/74/00/28/583740028.db2.gz RWCQZLOLXPTFJJ-RKDXNWHRSA-N 1 0 266.257 -0.104 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861720316 583781434 /nfs/dbraw/zinc/78/14/34/583781434.db2.gz XVDNSIFNMFJXHP-LNFKQOIKSA-N 1 0 269.301 -0.681 20 5 CBBDRO CC(C)(Cn1cc(CCN2CC[NH2+]CC2)nn1)[N+](=O)[O-] ZINC000864642394 583885455 /nfs/dbraw/zinc/88/54/55/583885455.db2.gz NISYNNIVIURXKX-UHFFFAOYSA-N 1 0 282.348 -0.219 20 5 CBBDRO C[NH+]1CCC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000865353993 583903756 /nfs/dbraw/zinc/90/37/56/583903756.db2.gz OBERUMWQROHPRI-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889750691 584535625 /nfs/dbraw/zinc/53/56/25/584535625.db2.gz QFKCHYBJFAZLGE-NOOOWODRSA-N 1 0 283.328 -0.291 20 5 CBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1c([N+](=O)[O-])cnn1C ZINC000894353619 584656173 /nfs/dbraw/zinc/65/61/73/584656173.db2.gz KKDBVUNMWOZCSX-VIFPVBQESA-N 1 0 296.331 -0.116 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@]23CC[NH2+]C3)c1 ZINC000903869292 584902739 /nfs/dbraw/zinc/90/27/39/584902739.db2.gz GKYCOCVAQPOIDN-CHWSQXEVSA-N 1 0 295.343 -0.020 20 5 CBBDRO CN1CC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000712587278 656210828 /nfs/dbraw/zinc/21/08/28/656210828.db2.gz RTRJIVZEZDXTSM-GXSJLCMTSA-N 1 0 269.305 -0.554 20 5 CBBDRO C[C@@H]1[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000719597402 656235786 /nfs/dbraw/zinc/23/57/86/656235786.db2.gz HBTKEEXTSBRMNN-USWWRNFRSA-N 1 0 283.332 -0.166 20 5 CBBDRO C[NH+](C)C[C@@H](O)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000915214013 657733325 /nfs/dbraw/zinc/73/33/25/657733325.db2.gz ZZQQWXNUORWUIL-QMMMGPOBSA-N 1 0 283.288 -0.577 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[NH2+]CC2)c1 ZINC000923277378 658191368 /nfs/dbraw/zinc/19/13/68/658191368.db2.gz GJOOYGYUZJYXRK-LLVKDONJSA-N 1 0 269.305 -0.553 20 5 CBBDRO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923285408 658194360 /nfs/dbraw/zinc/19/43/60/658194360.db2.gz BJAWIUBBGPUIBC-GXSJLCMTSA-N 1 0 269.305 -0.554 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000923363599 658233075 /nfs/dbraw/zinc/23/30/75/658233075.db2.gz DDNDDGHDKQKSEG-LOWVWBTDSA-N 1 0 295.343 -0.022 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000923417077 658272245 /nfs/dbraw/zinc/27/22/45/658272245.db2.gz ULYSHYMGTJWNCN-UPJWGTAASA-N 1 0 295.343 -0.022 20 5 CBBDRO COCCNC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929167933 659097439 /nfs/dbraw/zinc/09/74/39/659097439.db2.gz WGWXKSUFVCDQCG-UHFFFAOYSA-N 1 0 259.306 -0.262 20 5 CBBDRO O=C(C[NH+]1CCCC1)N1CCN(CC[N+](=O)[O-])CC1 ZINC000929513839 659135270 /nfs/dbraw/zinc/13/52/70/659135270.db2.gz XJTJQSOOTBRPOZ-UHFFFAOYSA-N 1 0 270.333 -0.497 20 5 CBBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931394956 659444688 /nfs/dbraw/zinc/44/46/88/659444688.db2.gz JHLYBEKAZCKSPJ-LOWVWBTDSA-N 1 0 295.343 -0.069 20 5 CBBDRO C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1CO ZINC000931407303 659453557 /nfs/dbraw/zinc/45/35/57/659453557.db2.gz HNPUUDVFGMLKNC-SNVBAGLBSA-N 1 0 269.305 -0.600 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946589250 659947102 /nfs/dbraw/zinc/94/71/02/659947102.db2.gz OGYLFAFTVHQBQK-YVECIDJPSA-N 1 0 297.355 -0.186 20 5 CBBDRO COc1ncnc(N2CCN3CC[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164398913 718833902 /nfs/dbraw/zinc/83/39/02/718833902.db2.gz LZCXAIXOFNMRSD-SECBINFHSA-N 1 0 294.315 -0.513 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164404329 718838520 /nfs/dbraw/zinc/83/85/20/718838520.db2.gz MGKFDLSKBNDESO-SNVBAGLBSA-N 1 0 278.316 -0.334 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccon2)c1 ZINC000148874692 790398753 /nfs/dbraw/zinc/39/87/53/790398753.db2.gz NBUVUAHSKNKIBK-SNVBAGLBSA-N 1 0 267.245 -0.070 20 5 CBBDRO COc1ncnc(N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000165791096 790407894 /nfs/dbraw/zinc/40/78/94/790407894.db2.gz RTNOPCIIDMOETM-ZETCQYMHSA-N 1 0 269.261 -0.443 20 5 CBBDRO C[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304332689 790470818 /nfs/dbraw/zinc/47/08/18/790470818.db2.gz OFGQFOJJKOKJTP-NSHDSACASA-N 1 0 269.305 -0.600 20 5 CBBDRO CNC(=O)C[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000322770515 790486433 /nfs/dbraw/zinc/48/64/33/790486433.db2.gz IEDBZPUPXZPFFM-WPRPVWTQSA-N 1 0 285.304 -0.734 20 5 CBBDRO CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001323367765 804015856 /nfs/dbraw/zinc/01/58/56/804015856.db2.gz OJAIFPLHUGFMDD-UHFFFAOYSA-N 1 0 280.284 -0.470 20 5 CBBDRO Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323437542 804026187 /nfs/dbraw/zinc/02/61/87/804026187.db2.gz JDHLYENMGBJHLS-NXEZZACHSA-N 1 0 294.315 -0.781 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001325268166 804268674 /nfs/dbraw/zinc/26/86/74/804268674.db2.gz KMLQJIZHIXTDNZ-JTQLQIEISA-N 1 0 269.261 -0.886 20 5 CBBDRO O=[N+]([O-])c1c(NCC2COC2)ncnc1N1CC[NH2+]CC1 ZINC001154634265 815231486 /nfs/dbraw/zinc/23/14/86/815231486.db2.gz OVDNXRGYCGRBNZ-UHFFFAOYSA-N 1 0 294.315 -0.147 20 5 CBBDRO COc1nc(N(CC[NH3+])S(C)(=O)=O)ncc1[N+](=O)[O-] ZINC001154767298 815238682 /nfs/dbraw/zinc/23/86/82/815238682.db2.gz UASCQKGWWJKDEL-UHFFFAOYSA-N 1 0 291.289 -0.882 20 5 CBBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2[NH3+])n1 ZINC001155354650 815279034 /nfs/dbraw/zinc/27/90/34/815279034.db2.gz OIQYWADFBGDRSR-JGVFFNPUSA-N 1 0 296.287 -0.210 20 5 CBBDRO COc1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ncc1[N+](=O)[O-] ZINC001155502030 815287784 /nfs/dbraw/zinc/28/77/84/815287784.db2.gz FGKSUTDLBKIJHO-BWZBUEFSSA-N 1 0 281.272 -0.208 20 5 CBBDRO COc1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)ncc1[N+](=O)[O-] ZINC001155537691 815290988 /nfs/dbraw/zinc/29/09/88/815290988.db2.gz SRQFOCJIETYLFN-RDDDGLTNSA-N 1 0 281.272 -0.064 20 5 CBBDRO COc1cnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001155569172 815293296 /nfs/dbraw/zinc/29/32/96/815293296.db2.gz DIFXWSDIWRBXTK-BXKDBHETSA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1nc(N(CC[NH3+])CCO)ncc1[N+](=O)[O-] ZINC001155948775 815324410 /nfs/dbraw/zinc/32/44/10/815324410.db2.gz XRZDZKYMSZSHBA-UHFFFAOYSA-N 1 0 257.250 -0.849 20 5 CBBDRO [NH3+]CCN(CCO)c1nc(Cl)ncc1[N+](=O)[O-] ZINC001155948378 815324426 /nfs/dbraw/zinc/32/44/26/815324426.db2.gz PLDALQHSYNRSEC-UHFFFAOYSA-N 1 0 261.669 -0.204 20 5 CBBDRO COc1nc(N2CC[C@H]([NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001156225429 815347064 /nfs/dbraw/zinc/34/70/64/815347064.db2.gz DMJGQPCIMBAVIF-LURJTMIESA-N 1 0 269.261 -0.061 20 5 CBBDRO COc1nc(N(C)S(=O)(=O)CC[NH3+])ncc1[N+](=O)[O-] ZINC001156231865 815347472 /nfs/dbraw/zinc/34/74/72/815347472.db2.gz PNFSBQNFUKFEQR-UHFFFAOYSA-N 1 0 291.289 -0.882 20 5 CBBDRO [NH3+]CCc1nnn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC001156985407 815394851 /nfs/dbraw/zinc/39/48/51/815394851.db2.gz XMEZGCJUEHRJAC-UHFFFAOYSA-N 1 0 280.204 -0.625 20 5 CBBDRO COc1nc(N2C[C@@H]3C[NH2+][C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001157624401 815448273 /nfs/dbraw/zinc/44/82/73/815448273.db2.gz ZMBPZGKCMBFWRJ-NKWVEPMBSA-N 1 0 281.272 -0.190 20 5 CBBDRO COc1nc(-n2ccnc2C(N)=[NH2+])nc(OC)c1[N+](=O)[O-] ZINC001157623515 815448659 /nfs/dbraw/zinc/44/86/59/815448659.db2.gz UZEOBOPIIMOVCV-UHFFFAOYSA-N 1 0 293.243 -0.128 20 5 CBBDRO O=C(NCCC[NH2+]Cc1cnon1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767869 815465063 /nfs/dbraw/zinc/46/50/63/815465063.db2.gz YSMOUDOHXVTCRM-RKDXNWHRSA-N 1 0 269.261 -0.669 20 5 CBBDRO Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC001157767577 815462484 /nfs/dbraw/zinc/46/24/84/815462484.db2.gz RCMPYCTZPDOQTM-RKDXNWHRSA-N 1 0 282.304 -0.626 20 5 CBBDRO Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767373 815462904 /nfs/dbraw/zinc/46/29/04/815462904.db2.gz LPRVSSQDOQYQCJ-NXEZZACHSA-N 1 0 282.304 -0.924 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001158075435 815501624 /nfs/dbraw/zinc/50/16/24/815501624.db2.gz ZMNGESNZEJVWMS-UHFFFAOYSA-N 1 0 272.228 -0.028 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001158080220 815502845 /nfs/dbraw/zinc/50/28/45/815502845.db2.gz IBSCDTMLQXWMCZ-UHFFFAOYSA-N 1 0 272.228 -0.028 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2nnnc2C[NH3+])n1 ZINC001158080553 815502879 /nfs/dbraw/zinc/50/28/79/815502879.db2.gz SMSLCFZTUZESGQ-UHFFFAOYSA-N 1 0 279.216 -0.789 20 5 CBBDRO NC(=O)CCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158106378 815505016 /nfs/dbraw/zinc/50/50/16/815505016.db2.gz YEDCHRDZHBMLAI-UHFFFAOYSA-N 1 0 295.303 -0.918 20 5 CBBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001158203052 815512888 /nfs/dbraw/zinc/51/28/88/815512888.db2.gz DGMVKRVXEFBOMU-MRVPVSSYSA-N 1 0 279.256 -0.724 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])CN1 ZINC001158251548 815515759 /nfs/dbraw/zinc/51/57/59/815515759.db2.gz NTRGBKBMVWPXQC-APPZFPTMSA-N 1 0 282.256 -0.456 20 5 CBBDRO [NH3+]Cc1cnnn1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001158420160 815526789 /nfs/dbraw/zinc/52/67/89/815526789.db2.gz FOWIPDZSGXWFEI-UHFFFAOYSA-N 1 0 265.189 -0.063 20 5 CBBDRO [NH3+]Cc1cnnn1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001158423179 815528390 /nfs/dbraw/zinc/52/83/90/815528390.db2.gz NEQKZGWSGKISPC-UHFFFAOYSA-N 1 0 270.636 -0.079 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001118165313 812483734 /nfs/dbraw/zinc/48/37/34/812483734.db2.gz UEAJOPHPXSOETD-SNVBAGLBSA-N 1 0 297.315 -0.324 20 5 CBBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118271019 812513816 /nfs/dbraw/zinc/51/38/16/812513816.db2.gz SXNCMJCLCRUKMV-RKDXNWHRSA-N 1 0 282.300 -0.002 20 5 CBBDRO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC001118269562 812513866 /nfs/dbraw/zinc/51/38/66/812513866.db2.gz KTAMIBJSFKROIX-UHFFFAOYSA-N 1 0 280.284 -0.295 20 5 CBBDRO C[NH+](C)CC[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001118336959 812534780 /nfs/dbraw/zinc/53/47/80/812534780.db2.gz IDWOWXFNVVOSSA-JTQLQIEISA-N 1 0 284.320 -0.814 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC(CO)(CO)C2)c1 ZINC001118501529 812560590 /nfs/dbraw/zinc/56/05/90/812560590.db2.gz MGCDOPDSTHDTOL-UHFFFAOYSA-N 1 0 270.289 -0.532 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001118512151 812564759 /nfs/dbraw/zinc/56/47/59/812564759.db2.gz IGIGJIVVIHDNDQ-JTQLQIEISA-N 1 0 253.262 -0.190 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001118953422 812674953 /nfs/dbraw/zinc/67/49/53/812674953.db2.gz QGQSKEFDNXSILS-SSDOTTSWSA-N 1 0 269.261 -0.886 20 5 CBBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1[nH]ncc1[N+](=O)[O-] ZINC001159091737 815558873 /nfs/dbraw/zinc/55/88/73/815558873.db2.gz QUYMFQWQKQFHQY-VIFPVBQESA-N 1 0 297.315 -0.106 20 5 CBBDRO N#CN1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001159104713 815559926 /nfs/dbraw/zinc/55/99/26/815559926.db2.gz GVDKWKBOMROFBC-UHFFFAOYSA-N 1 0 289.299 -0.325 20 5 CBBDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001126932213 813695283 /nfs/dbraw/zinc/69/52/83/813695283.db2.gz MJOLVSVJJKBADA-GHMZBOCLSA-N 1 0 294.311 -0.039 20 5 CBBDRO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001126943700 813696490 /nfs/dbraw/zinc/69/64/90/813696490.db2.gz UQMLLNGGCPGCFC-GHMZBOCLSA-N 1 0 298.343 -0.632 20 5 CBBDRO COc1nc(N[C@H]2C[NH2+]C[C@H]2CO)nc(OC)c1[N+](=O)[O-] ZINC001159676110 815585919 /nfs/dbraw/zinc/58/59/19/815585919.db2.gz FLLVEKYEXZOFEG-BQBZGAKWSA-N 1 0 299.287 -0.606 20 5 CBBDRO COc1cnc(N[C@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001159675116 815585997 /nfs/dbraw/zinc/58/59/97/815585997.db2.gz CCDIRQPIIWKDMQ-CBAPKCEASA-N 1 0 268.273 -0.009 20 5 CBBDRO Nc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)ccc1[N+](=O)[O-] ZINC001159678624 815586505 /nfs/dbraw/zinc/58/65/05/815586505.db2.gz QODAWIXKWRFWJO-NKWVEPMBSA-N 1 0 253.262 -0.436 20 5 CBBDRO Nc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001159678627 815587212 /nfs/dbraw/zinc/58/72/12/815587212.db2.gz QODAWIXKWRFWJO-RNFRBKRXSA-N 1 0 253.262 -0.436 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159677340 815587235 /nfs/dbraw/zinc/58/72/35/815587235.db2.gz KJFCSFJYLJTEPR-RNFRBKRXSA-N 1 0 288.691 -0.126 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001159681682 815587738 /nfs/dbraw/zinc/58/77/38/815587738.db2.gz FTXCOTWTIQLQBF-APPZFPTMSA-N 1 0 296.283 -0.231 20 5 CBBDRO N=c1ncc(C[NH3+])cn1-c1ncc([N+](=O)[O-])cc1N ZINC001161418184 815754416 /nfs/dbraw/zinc/75/44/16/815754416.db2.gz MSFURTPWWBZDJS-UHFFFAOYSA-N 1 0 261.245 -0.304 20 5 CBBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162926047 815848379 /nfs/dbraw/zinc/84/83/79/815848379.db2.gz JPYQHSYDGBPACF-IONNQARKSA-N 1 0 282.256 -0.086 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162925774 815848851 /nfs/dbraw/zinc/84/88/51/815848851.db2.gz APDARSZAYCGPSF-IONNQARKSA-N 1 0 282.256 -0.086 20 5 CBBDRO NC(=O)c1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ccc1[N+](=O)[O-] ZINC001163137330 815861258 /nfs/dbraw/zinc/86/12/58/815861258.db2.gz DGOQPAZPGLULAI-BWZBUEFSSA-N 1 0 293.283 -0.513 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163146753 815861450 /nfs/dbraw/zinc/86/14/50/815861450.db2.gz ZHPFUUMOERFYOY-NQMVMOMDSA-N 1 0 266.257 -0.373 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163235545 815867821 /nfs/dbraw/zinc/86/78/21/815867821.db2.gz CBCCJCGSLRCFPX-CABZTGNLSA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163235549 815868014 /nfs/dbraw/zinc/86/80/14/815868014.db2.gz CBCCJCGSLRCFPX-SKDRFNHKSA-N 1 0 293.283 -0.012 20 5 CBBDRO Nc1ccnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163243268 815871776 /nfs/dbraw/zinc/87/17/76/815871776.db2.gz SBJWQPFSIQTYBT-RDDDGLTNSA-N 1 0 278.272 -0.438 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163249591 815873033 /nfs/dbraw/zinc/87/30/33/815873033.db2.gz KNIYYKBFJLQVSQ-PELKAZGASA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163253423 815875882 /nfs/dbraw/zinc/87/58/82/815875882.db2.gz ZFNVDKNRAAQFAK-JOYOIKCWSA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001163336809 815879490 /nfs/dbraw/zinc/87/94/90/815879490.db2.gz RWGLWGQUQZEOED-FJXKBIBVSA-N 1 0 281.272 -0.065 20 5 CBBDRO COc1nc(N(C)CC[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001163687354 815896306 /nfs/dbraw/zinc/89/63/06/815896306.db2.gz XEGNQMLZSZSQKM-UHFFFAOYSA-N 1 0 257.250 -0.203 20 5 CBBDRO CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001286033277 816365247 /nfs/dbraw/zinc/36/52/47/816365247.db2.gz NFNIMEWSMDPQNB-GHMZBOCLSA-N 1 0 298.343 -0.728 20 5 CBBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c[nH]nc1[N+](=O)[O-] ZINC001298329301 816677634 /nfs/dbraw/zinc/67/76/34/816677634.db2.gz YPEWODBXFXYDMN-VIFPVBQESA-N 1 0 297.315 -0.106 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001302816392 816758911 /nfs/dbraw/zinc/75/89/11/816758911.db2.gz JIKZCAHMMQERQT-NSHDSACASA-N 1 0 283.288 -0.544 20 5 CBBDRO NC(=O)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001316915766 816902661 /nfs/dbraw/zinc/90/26/61/816902661.db2.gz XSWUZJMDQGYHML-NXEZZACHSA-N 1 0 284.316 -0.892 20 5 CBBDRO CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319591305 817223180 /nfs/dbraw/zinc/22/31/80/817223180.db2.gz HUZYYIJUVZNNPE-UHFFFAOYSA-N 1 0 282.300 -0.224 20 5 CBBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001319965018 817261182 /nfs/dbraw/zinc/26/11/82/817261182.db2.gz XMXXGKURSCAXPX-VIFPVBQESA-N 1 0 282.304 -0.404 20 5 CBBDRO O=C1CC[C@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])N1 ZINC001164162497 819887867 /nfs/dbraw/zinc/88/78/67/819887867.db2.gz GDSKEPMYLCQMFV-MRVPVSSYSA-N 1 0 292.299 -0.238 20 5 CBBDRO O=C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCCN1 ZINC001164283915 819897040 /nfs/dbraw/zinc/89/70/40/819897040.db2.gz ZCVYWYJUIPLQQF-UHFFFAOYSA-N 1 0 292.299 -0.602 20 5 CBBDRO COc1cc(N(C)S(=O)(=O)CC[NH3+])cnc1[N+](=O)[O-] ZINC001164296860 819904305 /nfs/dbraw/zinc/90/43/05/819904305.db2.gz BGJMBKCRDNCPQQ-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO O=C1NCCN(c2ncc(F)cc2[N+](=O)[O-])C12C[NH2+]C2 ZINC001165298068 819950509 /nfs/dbraw/zinc/95/05/09/819950509.db2.gz QHSVWAAQYHZNNJ-UHFFFAOYSA-N 1 0 281.247 -0.593 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001165437613 819961020 /nfs/dbraw/zinc/96/10/20/819961020.db2.gz AHCOACRXRVXREM-MRVPVSSYSA-N 1 0 281.272 -0.477 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCO[C@@H](C[NH3+])C2)n1 ZINC001166940969 820050486 /nfs/dbraw/zinc/05/04/86/820050486.db2.gz UZVOEWDBAVLXMV-QMMMGPOBSA-N 1 0 283.288 -0.134 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])c(OC)n1 ZINC001166961447 820053460 /nfs/dbraw/zinc/05/34/60/820053460.db2.gz JVJQRVAOUIJJTH-RQJHMYQMSA-N 1 0 297.271 -0.528 20 5 CBBDRO CS(=O)(=O)N(c1ncc(F)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166968302 820056073 /nfs/dbraw/zinc/05/60/73/820056073.db2.gz VWMXXWFRCSFEEI-UHFFFAOYSA-N 1 0 290.276 -0.133 20 5 CBBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](O)[C@@H]([NH3+])C2)n1 ZINC001167089609 820070024 /nfs/dbraw/zinc/07/00/24/820070024.db2.gz LBLIXPDDEBNWMX-JGVFFNPUSA-N 1 0 296.287 -0.840 20 5 CBBDRO NC(=O)c1nc(-n2ccc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC001167726409 820113889 /nfs/dbraw/zinc/11/38/89/820113889.db2.gz FFWCTPUHIFVXMO-UHFFFAOYSA-N 1 0 276.256 -0.224 20 5 CBBDRO CCOc1cnc(-n2nnc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167790729 820119017 /nfs/dbraw/zinc/11/90/17/820119017.db2.gz DHFBHFOPQSBAEK-UHFFFAOYSA-N 1 0 279.260 -0.135 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1nnc(CC[NH3+])n1 ZINC001167792329 820120537 /nfs/dbraw/zinc/12/05/37/820120537.db2.gz BNCUOJMVXZSJBX-UHFFFAOYSA-N 1 0 293.243 -0.747 20 5 CBBDRO CN1Cc2cc(-n3nnc(CC[NH3+])n3)cc([N+](=O)[O-])c2N1 ZINC001167793247 820121420 /nfs/dbraw/zinc/12/14/20/820121420.db2.gz XPLPUFBVUQWBAS-UHFFFAOYSA-N 1 0 290.287 -0.156 20 5 CBBDRO CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)S(=O)(=O)CC[NH3+] ZINC001168966472 820197150 /nfs/dbraw/zinc/19/71/50/820197150.db2.gz IKFQJEBBIMUUGC-BDAKNGLRSA-N 1 0 265.335 -0.348 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1-n1nnnc1C[NH3+] ZINC001168920332 820190745 /nfs/dbraw/zinc/19/07/45/820190745.db2.gz NJTHUAFVNFHVGO-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001168919208 820191450 /nfs/dbraw/zinc/19/14/50/820191450.db2.gz VZLYHLYHUZLJGL-UHFFFAOYSA-N 1 0 260.217 -0.095 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001168921095 820193335 /nfs/dbraw/zinc/19/33/35/820193335.db2.gz RGGJGZHNHANWLI-UHFFFAOYSA-N 1 0 272.228 -0.028 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001168924452 820194297 /nfs/dbraw/zinc/19/42/97/820194297.db2.gz XOMDHDXFYKDABH-UHFFFAOYSA-N 1 0 275.228 -0.727 20 5 CBBDRO Cn1cc(-n2cc(CC[NH3+])cn2)cc([N+](=O)[O-])c1=O ZINC001168946361 820194959 /nfs/dbraw/zinc/19/49/59/820194959.db2.gz JBAZTCCHHVUUPH-UHFFFAOYSA-N 1 0 263.257 -0.020 20 5 CBBDRO CN1Cc2cc(-n3nnnc3C[NH3+])cc([N+](=O)[O-])c2N1 ZINC001168924444 820195116 /nfs/dbraw/zinc/19/51/16/820195116.db2.gz XGQHUDBMPWDQIU-UHFFFAOYSA-N 1 0 276.260 -0.199 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2nnnc2C[NH3+])c1 ZINC001168924568 820195236 /nfs/dbraw/zinc/19/52/36/820195236.db2.gz NBCSXUMAMSTCNH-UHFFFAOYSA-N 1 0 278.228 -0.184 20 5 CBBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCN(CCO)CCO)C1 ZINC001168967640 820197774 /nfs/dbraw/zinc/19/77/74/820197774.db2.gz RQLDYAPRQNNKHM-STQMWFEESA-N 1 0 289.376 -0.302 20 5 CBBDRO COC(=O)[C@H](CN)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977847 820198752 /nfs/dbraw/zinc/19/87/52/820198752.db2.gz MXKMTCPHIPHOQB-BBBLOLIVSA-N 1 0 259.306 -0.231 20 5 CBBDRO C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169001019 820199813 /nfs/dbraw/zinc/19/98/13/820199813.db2.gz CHPYFXYPZWTCPC-XKNYDFJKSA-N 1 0 286.332 -0.600 20 5 CBBDRO [NH3+][C@@H](CO)Cc1cncn1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001169075130 820205640 /nfs/dbraw/zinc/20/56/40/820205640.db2.gz WCXFAMWCVUATHA-MRVPVSSYSA-N 1 0 279.256 -0.724 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1nncc1C[NH3+] ZINC001169304099 820224262 /nfs/dbraw/zinc/22/42/62/820224262.db2.gz MRTKNJLRLRPLRE-UHFFFAOYSA-N 1 0 263.217 -0.872 20 5 CBBDRO Nc1ccnc(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001170046024 820275441 /nfs/dbraw/zinc/27/54/41/820275441.db2.gz VFWFTBYQMWRPSL-SSDOTTSWSA-N 1 0 253.262 -0.028 20 5 CBBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)C(N)=O)c([N+](=O)[O-])c1 ZINC001170306606 820286449 /nfs/dbraw/zinc/28/64/49/820286449.db2.gz YMYKNZNNLKLXMF-GZMMTYOYSA-N 1 0 297.311 -0.030 20 5 CBBDRO Cc1c[n+]([O-])c(NCCN(C)CC[NH3+])cc1[N+](=O)[O-] ZINC001170498681 820295910 /nfs/dbraw/zinc/29/59/10/820295910.db2.gz XYKKSGAAXYTNNJ-UHFFFAOYSA-N 1 0 269.305 -0.161 20 5 CBBDRO [NH3+]CCOCCOCCNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001170511704 820297499 /nfs/dbraw/zinc/29/74/99/820297499.db2.gz YYLIRZXOCJVOIY-UHFFFAOYSA-N 1 0 286.288 -0.368 20 5 CBBDRO Nc1ncc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001170536510 820302952 /nfs/dbraw/zinc/30/29/52/820302952.db2.gz PNLWMAPYVGZTCP-SECBINFHSA-N 1 0 295.299 -0.632 20 5 CBBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170771659 820315560 /nfs/dbraw/zinc/31/55/60/820315560.db2.gz DYNBERCVORMPSB-NKWVEPMBSA-N 1 0 288.691 -0.126 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170773419 820316263 /nfs/dbraw/zinc/31/62/63/820316263.db2.gz GQKUBGGIBPHQRZ-RNFRBKRXSA-N 1 0 269.261 -0.614 20 5 CBBDRO COc1nc(C)nc(N[C@@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170773674 820317422 /nfs/dbraw/zinc/31/74/22/820317422.db2.gz IYFSVVNHFBAYAI-JGVFFNPUSA-N 1 0 283.288 -0.306 20 5 CBBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170774068 820318233 /nfs/dbraw/zinc/31/82/33/820318233.db2.gz UGZLZPNTEPYKGB-HTQZYQBOSA-N 1 0 268.273 -0.009 20 5 CBBDRO Cn1cc(N[C@@H]2C[NH2+]C[C@H]2CO)cc([N+](=O)[O-])c1=O ZINC001170777439 820319048 /nfs/dbraw/zinc/31/90/48/820319048.db2.gz CLYDLOIJEDCUCP-IONNQARKSA-N 1 0 268.273 -0.714 20 5 CBBDRO Cc1c[n+]([O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001170780079 820321607 /nfs/dbraw/zinc/32/16/07/820321607.db2.gz ZRHWWMKQYHRIGS-DTWKUNHWSA-N 1 0 268.273 -0.471 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](N)CCC[NH3+] ZINC001170898153 820332967 /nfs/dbraw/zinc/33/29/67/820332967.db2.gz LQPGNNYUFGWVMA-MRVPVSSYSA-N 1 0 268.277 -0.476 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170993859 820342198 /nfs/dbraw/zinc/34/21/98/820342198.db2.gz CFMZPFSIIMSYGL-UHFFFAOYSA-N 1 0 298.299 -0.378 20 5 CBBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)C(N)=O ZINC001173234928 820400225 /nfs/dbraw/zinc/40/02/25/820400225.db2.gz QZYHSVWHMYHKMW-GZMMTYOYSA-N 1 0 267.285 -0.038 20 5 CBBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)C(N)=O ZINC001173219912 820400865 /nfs/dbraw/zinc/40/08/65/820400865.db2.gz QZYHSVWHMYHKMW-KCJUWKMLSA-N 1 0 267.285 -0.038 20 5 CBBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001183240171 820983844 /nfs/dbraw/zinc/98/38/44/820983844.db2.gz YYYRLVDALHUEKV-NSHDSACASA-N 1 0 285.304 -0.250 20 5 CBBDRO COC(=O)[C@]1(O)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001197266330 824185685 /nfs/dbraw/zinc/18/56/85/824185685.db2.gz WVQUWEQNZHWCHV-LBPRGKRZSA-N 1 0 298.299 -0.290 20 5 CBBDRO NC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC001197384678 824188965 /nfs/dbraw/zinc/18/89/65/824188965.db2.gz LJEDKPFJKAFJMI-UHFFFAOYSA-N 1 0 297.315 -0.242 20 5 CBBDRO Cn1cnnc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222491820 825212502 /nfs/dbraw/zinc/21/25/02/825212502.db2.gz LDUAZOHNGNWBIT-SECBINFHSA-N 1 0 257.314 -0.685 20 5 CBBDRO C[C@H](C[N+](C)(C)C)OCC(=O)N1CCN(C)CC1 ZINC001222542420 825216125 /nfs/dbraw/zinc/21/61/25/825216125.db2.gz DAXABZFJBHGWOM-GFCCVEGCSA-N 1 0 258.386 -0.128 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccnn1 ZINC001222997482 825225355 /nfs/dbraw/zinc/22/53/55/825225355.db2.gz VQALLYIEBLGJJO-LLVKDONJSA-N 1 0 254.310 -0.023 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCN1CCOCC1 ZINC001224870528 825250878 /nfs/dbraw/zinc/25/08/78/825250878.db2.gz SMTKMFAGOKYQTI-CYBMUJFWSA-N 1 0 289.396 -0.291 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)[nH]cn1 ZINC001226948021 825293573 /nfs/dbraw/zinc/29/35/73/825293573.db2.gz ZEDAHYFSLSOPSP-MRVPVSSYSA-O 1 0 256.282 -0.455 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc2[nH]nc(N)c21 ZINC001233959283 825443213 /nfs/dbraw/zinc/44/32/13/825443213.db2.gz OKADGFOAAFUDNS-MRVPVSSYSA-N 1 0 294.335 -0.097 20 5 CBBDRO C[C@@H](C[N+](C)(C)C)Oc1c(C(N)=O)nc[nH]c1=O ZINC001234472813 825469052 /nfs/dbraw/zinc/46/90/52/825469052.db2.gz ZPHNHCZTPSCSOU-ZETCQYMHSA-O 1 0 255.298 -0.245 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)N1 ZINC001246153286 825642547 /nfs/dbraw/zinc/64/25/47/825642547.db2.gz RKPLLVOUMDPYOM-WYFGTUCQSA-N 1 0 268.317 -0.401 20 5 CBBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C(N)=O ZINC001254540059 825965909 /nfs/dbraw/zinc/96/59/09/825965909.db2.gz OWJYAWYKRMKMQS-SCZZXKLOSA-N 1 0 267.285 -0.038 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1)C1CC1 ZINC001261208650 826494372 /nfs/dbraw/zinc/49/43/72/826494372.db2.gz ARXJOIMZMAVBQP-QMMMGPOBSA-N 1 0 283.288 -0.655 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001261492164 826524923 /nfs/dbraw/zinc/52/49/23/826524923.db2.gz SQKJFHHVHARPKG-DTWKUNHWSA-N 1 0 282.304 -0.228 20 5 CBBDRO [NH3+]C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 ZINC001261494805 826525486 /nfs/dbraw/zinc/52/54/86/826525486.db2.gz FYZXGFXPAOKVLF-UHFFFAOYSA-N 1 0 254.250 -0.816 20 5 CBBDRO C[NH2+]C[C@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001261645825 826555753 /nfs/dbraw/zinc/55/57/53/826555753.db2.gz PNCWQHABSWRIAB-LURJTMIESA-N 1 0 255.278 -0.026 20 5 CBBDRO NC(=O)C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001274325012 827984091 /nfs/dbraw/zinc/98/40/91/827984091.db2.gz IWZHIKRSVYVGHT-OWOJBTEDSA-N 1 0 292.295 -0.158 20 5 CBBDRO [NH3+][C@H](CO)Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC001326919751 885190889 /nfs/dbraw/zinc/19/08/89/885190889.db2.gz XGYKMEIYSJSAPP-ZETCQYMHSA-N 1 0 264.245 -0.567 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001326170117 884930426 /nfs/dbraw/zinc/93/04/26/884930426.db2.gz UUMXTKYKMRDNME-JTQLQIEISA-N 1 0 297.315 -0.406 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(COCC[NH3+])n1 ZINC001326214147 884945177 /nfs/dbraw/zinc/94/51/77/884945177.db2.gz NOGJWYIEEKZPQL-UHFFFAOYSA-N 1 0 268.233 -0.146 20 5 CBBDRO [NH3+]C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001326298413 884977370 /nfs/dbraw/zinc/97/73/70/884977370.db2.gz SJFRLZNYDSFSBP-VIFPVBQESA-N 1 0 280.284 -0.436 20 5 CBBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001326581497 885074060 /nfs/dbraw/zinc/07/40/60/885074060.db2.gz BREJJUPUWMEKGI-UHFFFAOYSA-N 1 0 296.331 -0.695 20 5 CBBDRO [NH3+][C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC001326611185 885089014 /nfs/dbraw/zinc/08/90/14/885089014.db2.gz DCEDBWRJLFTIMA-SSDOTTSWSA-N 1 0 254.250 -0.960 20 5 CBBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001326702505 885115899 /nfs/dbraw/zinc/11/58/99/885115899.db2.gz MCGZHRHPFDFFFQ-HTQZYQBOSA-N 1 0 268.277 -0.476 20 5 CBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[NH2+]C1CC1 ZINC001327074426 885243419 /nfs/dbraw/zinc/24/34/19/885243419.db2.gz VNFZELLGCYETDK-UHFFFAOYSA-N 1 0 280.284 -0.375 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCC[NH2+]C1 ZINC001327074502 885244594 /nfs/dbraw/zinc/24/45/94/885244594.db2.gz XCTGDKODOLVVBF-ZETCQYMHSA-N 1 0 254.250 -0.946 20 5 CBBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1CCn1cc([N+](=O)[O-])cn1 ZINC001327205287 885285758 /nfs/dbraw/zinc/28/57/58/885285758.db2.gz CGXCJAGOTDXYLY-NSHDSACASA-N 1 0 297.315 -0.372 20 5 CBBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C1(O)C[NH2+]C1 ZINC001327602273 885426962 /nfs/dbraw/zinc/42/69/62/885426962.db2.gz XJUYKWPKILPRRH-UHFFFAOYSA-N 1 0 263.253 -0.229 20 5 CBBDRO NC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC001328429583 885685046 /nfs/dbraw/zinc/68/50/46/885685046.db2.gz PBZMGXFKVLPJAC-UHFFFAOYSA-N 1 0 283.288 -0.585 20 5 CBBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001331694014 886913860 /nfs/dbraw/zinc/91/38/60/886913860.db2.gz HFEQSBWSYOANKC-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO C[C@@H](Cn1cncn1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001331962919 887064194 /nfs/dbraw/zinc/06/41/94/887064194.db2.gz QPSZIYVBYNVXHT-GXSJLCMTSA-N 1 0 295.303 -0.578 20 5 CBBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001332413853 887266867 /nfs/dbraw/zinc/26/68/67/887266867.db2.gz RBHFKNPDJADTLZ-QMMMGPOBSA-N 1 0 268.277 -0.616 20 5 CBBDRO C[C@H]1[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001332477414 887307673 /nfs/dbraw/zinc/30/76/73/887307673.db2.gz KDFPVPVWZOHNPX-UWVGGRQHSA-N 1 0 294.311 -0.035 20 5 CBBDRO C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](CO)C1 ZINC001333040298 887508672 /nfs/dbraw/zinc/50/86/72/887508672.db2.gz XCAHIHXAFXXVQH-SNVBAGLBSA-N 1 0 269.305 -0.600 20 5 CBBDRO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC001334336435 887925465 /nfs/dbraw/zinc/92/54/65/887925465.db2.gz BOMYZADHLUSODA-KOLCDFICSA-N 1 0 269.305 -0.554 20 5 CBBDRO C[NH+]1CCN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001344129512 890008046 /nfs/dbraw/zinc/00/80/46/890008046.db2.gz NJXGSBVNYFQODP-UHFFFAOYSA-N 1 0 296.331 -0.315 20 5 CBBDRO CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC001346541449 890317681 /nfs/dbraw/zinc/31/76/81/890317681.db2.gz QKBWBRCBVKKTTC-SSDOTTSWSA-N 1 0 271.277 -0.797 20 5 CBBDRO C[NH2+]C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001350909036 891064670 /nfs/dbraw/zinc/06/46/70/891064670.db2.gz HJQHSFDKIFNWGC-LBPRGKRZSA-N 1 0 283.332 -0.164 20 5 CBBDRO CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001355876285 891712532 /nfs/dbraw/zinc/71/25/32/891712532.db2.gz LNMWACYVZRMDKV-NXEZZACHSA-N 1 0 286.332 -0.822 20 5 CBBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001439895917 911306298 /nfs/dbraw/zinc/30/62/98/911306298.db2.gz UXMQYBCKQNJHNC-VIFPVBQESA-N 1 0 282.304 -0.213 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC(C)(C(N)=O)C1 ZINC001473585358 915835920 /nfs/dbraw/zinc/83/59/20/915835920.db2.gz RUGOBZFWLCMNPC-UHFFFAOYSA-N 1 0 267.289 -0.093 20 5 CBBDRO NC(=O)[C@@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC001473643586 915844747 /nfs/dbraw/zinc/84/47/47/915844747.db2.gz TVTQUAHWNJFQPM-NXEZZACHSA-N 1 0 292.295 -0.387 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](CCO)[C@H](CO)C2)n1 ZINC001473894439 915881695 /nfs/dbraw/zinc/88/16/95/915881695.db2.gz XVNRYOPLHSHSJB-QWRGUYRKSA-N 1 0 284.316 -0.286 20 5 CBBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(N)=O ZINC001481272432 916797629 /nfs/dbraw/zinc/79/76/29/916797629.db2.gz CMWDOMGVUSNAFV-UHFFFAOYSA-N 1 0 280.284 -0.372 20 5 CBBDRO COCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001490889182 918986792 /nfs/dbraw/zinc/98/67/92/918986792.db2.gz UOKYPSAIOWIKIJ-GWOFURMSSA-N 1 0 271.317 -0.075 20 5 CBBDRO CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497584130 920345828 /nfs/dbraw/zinc/34/58/28/920345828.db2.gz OKROWMSVGDPSQN-YIZUVKHSSA-N 1 0 298.343 -0.562 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1C[NH+]2CCC1CC2 ZINC001514747974 922214519 /nfs/dbraw/zinc/21/45/19/922214519.db2.gz KXBVOQCTYIRAOC-VIFPVBQESA-N 1 0 280.288 -0.603 20 5 CBBDRO C[NH+]1CCC(CCO)(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001556070078 924039047 /nfs/dbraw/zinc/03/90/47/924039047.db2.gz KVGUBYKPPIPBRN-UHFFFAOYSA-N 1 0 297.315 -0.106 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC12CC[NH+](CC1)C2 ZINC001557915973 924140365 /nfs/dbraw/zinc/14/03/65/924140365.db2.gz OMZOIVXCLRDRNM-UHFFFAOYSA-N 1 0 266.261 -0.849 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001558042887 924147357 /nfs/dbraw/zinc/14/73/57/924147357.db2.gz IBOHERCVGMGBBS-LBPRGKRZSA-N 1 0 297.315 -0.533 20 5 CBBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cn1)CCOCCO ZINC001559265571 924217977 /nfs/dbraw/zinc/21/79/77/924217977.db2.gz UDFPEDFBJSFBAD-UHFFFAOYSA-N 1 0 285.304 -0.263 20 5 CBBDRO C[NH+](C)CCN1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000377538090 282100246 /nfs/dbraw/zinc/10/02/46/282100246.db2.gz SCUCLBZRTLYFPD-NWDGAFQWSA-N 1 0 284.360 -0.253 20 5 CBBDRO CO[C@H]1COC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000290209153 197631929 /nfs/dbraw/zinc/63/19/29/197631929.db2.gz UXCFNCPZJAPKKU-QWRGUYRKSA-N 1 0 283.284 -0.240 20 5 CBBDRO C[C@H]1C[NH2+]CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000125768280 187199634 /nfs/dbraw/zinc/19/96/34/187199634.db2.gz TVLCSNSNACEFLJ-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351825061 219218002 /nfs/dbraw/zinc/21/80/02/219218002.db2.gz GEPLPEUTNHKZGH-DVVUODLYSA-N 1 0 270.289 -0.535 20 5 CBBDRO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](C)O ZINC000352233366 219376829 /nfs/dbraw/zinc/37/68/29/219376829.db2.gz YDVRWVYYOVPLSP-GXSJLCMTSA-N 1 0 272.305 -0.145 20 5 CBBDRO C[C@@H](NC(=O)CNC(=O)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766599 351404526 /nfs/dbraw/zinc/40/45/26/351404526.db2.gz MRLPAEPQMPEZRP-MRVPVSSYSA-N 1 0 280.284 -0.153 20 5 CBBDRO Cn1c(C(=O)NCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000036278216 351390503 /nfs/dbraw/zinc/39/05/03/351390503.db2.gz YZCVBSVHXNDCIM-UHFFFAOYSA-N 1 0 281.316 -0.432 20 5 CBBDRO CN1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000037887435 351410385 /nfs/dbraw/zinc/41/03/85/351410385.db2.gz IXETXFGYNFLXPR-GFCCVEGCSA-N 1 0 283.332 -0.164 20 5 CBBDRO Cn1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000041159585 351422621 /nfs/dbraw/zinc/42/26/21/351422621.db2.gz WJVRCFBCKIDFAT-LLVKDONJSA-N 1 0 280.288 -0.325 20 5 CBBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](O)C[NH2+]1 ZINC000050015951 351497495 /nfs/dbraw/zinc/49/74/95/351497495.db2.gz IJQDMLSHAVVODG-UWVGGRQHSA-N 1 0 265.269 -0.066 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107571780 351794589 /nfs/dbraw/zinc/79/45/89/351794589.db2.gz YBKMFZCAVOLJOE-YUMQZZPRSA-N 1 0 277.284 -0.256 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCOC2)c1 ZINC000109546712 351798165 /nfs/dbraw/zinc/79/81/65/351798165.db2.gz LQGWBGJYDBSGSU-ONGXEEELSA-N 1 0 270.289 -0.079 20 5 CBBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C[NH3+])C1 ZINC000122626970 351852820 /nfs/dbraw/zinc/85/28/20/351852820.db2.gz GDJKYSXFBVFFFU-QMMMGPOBSA-N 1 0 267.289 -0.362 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000124324478 351855854 /nfs/dbraw/zinc/85/58/54/351855854.db2.gz JMXPEBDZMVWQFN-SNVBAGLBSA-N 1 0 281.316 -0.352 20 5 CBBDRO CC(C)[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000124820952 351856993 /nfs/dbraw/zinc/85/69/93/351856993.db2.gz ISXYKLSKARLBER-QWRGUYRKSA-N 1 0 272.305 -0.241 20 5 CBBDRO C[NH2+]CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000121288881 351847676 /nfs/dbraw/zinc/84/76/76/351847676.db2.gz KJNYJOKGLZVIEV-UHFFFAOYSA-N 1 0 255.278 -0.093 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000131208009 351883707 /nfs/dbraw/zinc/88/37/07/351883707.db2.gz HFJOFBQMKZSNAW-UHFFFAOYSA-N 1 0 271.277 -0.374 20 5 CBBDRO C[C@@H](CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000132960987 351896128 /nfs/dbraw/zinc/89/61/28/351896128.db2.gz OZFZTGIYSMVMKZ-WPRPVWTQSA-N 1 0 258.278 -0.487 20 5 CBBDRO C[C@H](CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000132961571 351896357 /nfs/dbraw/zinc/89/63/57/351896357.db2.gz OZFZTGIYSMVMKZ-PSASIEDQSA-N 1 0 258.278 -0.487 20 5 CBBDRO C[NH+](C)C1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000134894327 351909450 /nfs/dbraw/zinc/90/94/50/351909450.db2.gz NCIXWQNNKCKKFW-UHFFFAOYSA-N 1 0 280.284 -0.471 20 5 CBBDRO C[NH+](C)C1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000135017065 351911291 /nfs/dbraw/zinc/91/12/91/351911291.db2.gz DRGOMPLODFQPNY-UHFFFAOYSA-N 1 0 253.262 -0.436 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000171128453 352008526 /nfs/dbraw/zinc/00/85/26/352008526.db2.gz RLQZBDNTRBFHML-UHFFFAOYSA-N 1 0 285.304 -0.514 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000159734115 351965730 /nfs/dbraw/zinc/96/57/30/351965730.db2.gz HLLCNTBHELPHFV-PWSUYJOCSA-N 1 0 284.316 -0.001 20 5 CBBDRO [NH3+]CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169191116 351996586 /nfs/dbraw/zinc/99/65/86/351996586.db2.gz BQIRGXSQIGVWGV-MRVPVSSYSA-N 1 0 265.273 -0.039 20 5 CBBDRO CC(C)[N@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174659007 352049723 /nfs/dbraw/zinc/04/97/23/352049723.db2.gz RSKRPQLCJZKAAY-LLVKDONJSA-N 1 0 272.305 -0.145 20 5 CBBDRO CNC(=O)CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173636123 352039280 /nfs/dbraw/zinc/03/92/80/352039280.db2.gz QSHTUNCFQMOPQU-JTQLQIEISA-N 1 0 285.304 -0.780 20 5 CBBDRO CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173563629 352039870 /nfs/dbraw/zinc/03/98/70/352039870.db2.gz CZVQRAWAACHZFR-WDEREUQCSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186707052 352130701 /nfs/dbraw/zinc/13/07/01/352130701.db2.gz ZFSLFOSAOWNECT-WCBMZHEXSA-N 1 0 267.289 -0.095 20 5 CBBDRO CCC[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179267661 352089087 /nfs/dbraw/zinc/08/90/87/352089087.db2.gz LTWFAXSFIFUXOK-UHFFFAOYSA-N 1 0 255.278 -0.093 20 5 CBBDRO C[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)CO ZINC000190836901 352184452 /nfs/dbraw/zinc/18/44/52/352184452.db2.gz DXRGRXIZCHQSOF-WDEREUQCSA-N 1 0 299.327 -0.180 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000187598886 352139500 /nfs/dbraw/zinc/13/95/00/352139500.db2.gz YVWXCJTXGUAQPO-UHFFFAOYSA-N 1 0 278.268 -0.441 20 5 CBBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000187703640 352142307 /nfs/dbraw/zinc/14/23/07/352142307.db2.gz BIWIUKLRDHSINK-NSHDSACASA-N 1 0 283.332 -0.210 20 5 CBBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000193569865 352205867 /nfs/dbraw/zinc/20/58/67/352205867.db2.gz SUXYVRUSVAJWFD-DVVUODLYSA-N 1 0 297.315 -0.734 20 5 CBBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000193570172 352206590 /nfs/dbraw/zinc/20/65/90/352206590.db2.gz PIXGFPIMSZSDMY-PSASIEDQSA-N 1 0 267.289 -0.095 20 5 CBBDRO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228591356 352263912 /nfs/dbraw/zinc/26/39/12/352263912.db2.gz WEWOCMRRHJGYPW-WCABBAIRSA-N 1 0 272.305 -0.241 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000228755682 352264954 /nfs/dbraw/zinc/26/49/54/352264954.db2.gz FYLYVYJHJJQSJA-NSHDSACASA-N 1 0 285.304 -0.780 20 5 CBBDRO COC[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)OC ZINC000234690500 352283328 /nfs/dbraw/zinc/28/33/28/352283328.db2.gz CVKGAJNIZCEQDG-GHMZBOCLSA-N 1 0 288.304 -0.597 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237577584 352307356 /nfs/dbraw/zinc/30/73/56/352307356.db2.gz DQDOBIRSUSUHLA-SECBINFHSA-N 1 0 267.289 -0.032 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[NH2+]1 ZINC000237614669 352308186 /nfs/dbraw/zinc/30/81/86/352308186.db2.gz ACUVQDZZCZTGAN-UWVGGRQHSA-N 1 0 294.311 -0.035 20 5 CBBDRO [NH3+]C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000238072006 352313826 /nfs/dbraw/zinc/31/38/26/352313826.db2.gz BHARJEUIYYKVJH-SNVBAGLBSA-N 1 0 280.284 -0.390 20 5 CBBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](O)C[NH2+]1 ZINC000238090626 352313953 /nfs/dbraw/zinc/31/39/53/352313953.db2.gz BKHUZGBWWUCNBF-GXSJLCMTSA-N 1 0 294.311 -0.154 20 5 CBBDRO C[C@@H]1C[NH2+]CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000262055706 352405601 /nfs/dbraw/zinc/40/56/01/352405601.db2.gz XFZHQKXDUMTESF-SSDOTTSWSA-N 1 0 254.250 -0.993 20 5 CBBDRO Nc1c(C(=O)N2CCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000274724532 352543950 /nfs/dbraw/zinc/54/39/50/352543950.db2.gz BRXHUDPYKGQDOH-QMMMGPOBSA-N 1 0 280.284 -0.023 20 5 CBBDRO CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000271011002 352506909 /nfs/dbraw/zinc/50/69/09/352506909.db2.gz ZTRCZUQHSIEYRD-USWWRNFRSA-N 1 0 284.316 -0.145 20 5 CBBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000292098708 198161894 /nfs/dbraw/zinc/16/18/94/198161894.db2.gz GDUIZOIPEKVSIF-MWLCHTKSSA-N 1 0 272.305 -0.145 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290073556 352671728 /nfs/dbraw/zinc/67/17/28/352671728.db2.gz IJYSUAOJNZQNQO-VHSXEESVSA-N 1 0 279.300 -0.141 20 5 CBBDRO CN(CC[NH+]1CCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000332359764 352946496 /nfs/dbraw/zinc/94/64/96/352946496.db2.gz SWDWUKQFJNAWKA-UHFFFAOYSA-N 1 0 282.304 -0.260 20 5 CBBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973311 353195770 /nfs/dbraw/zinc/19/57/70/353195770.db2.gz PKHWYFCBFFOZFG-FBIMIBRVSA-N 1 0 270.289 -0.393 20 5 CBBDRO NC(=O)N[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342868749 353237510 /nfs/dbraw/zinc/23/75/10/353237510.db2.gz QSGLHYPHHVPZJL-QMMMGPOBSA-N 1 0 268.277 -0.466 20 5 CBBDRO [NH3+][C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000157741629 188336838 /nfs/dbraw/zinc/33/68/38/188336838.db2.gz SWIXFCVWTUMONO-MRVPVSSYSA-N 1 0 253.262 -0.259 20 5 CBBDRO C[C@H](C[NH3+])NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000347682939 353398641 /nfs/dbraw/zinc/39/86/41/353398641.db2.gz PDZWCWLRYUUELU-SSDOTTSWSA-N 1 0 255.278 -0.010 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1COC[C@@H]1O ZINC000352801304 353506400 /nfs/dbraw/zinc/50/64/00/353506400.db2.gz JVAKOYWVQAIGFC-MNOVXSKESA-N 1 0 283.284 -0.552 20 5 CBBDRO CCn1cc(S(=O)(=O)NCC[NH2+]C)c([N+](=O)[O-])n1 ZINC000353218979 353529061 /nfs/dbraw/zinc/52/90/61/353529061.db2.gz QLCZXPXJDJNJBW-UHFFFAOYSA-N 1 0 277.306 -0.691 20 5 CBBDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354056739 353541069 /nfs/dbraw/zinc/54/10/69/353541069.db2.gz MGCDNLMKOKJTSI-UHFFFAOYSA-N 1 0 297.315 -0.248 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1O ZINC000352661009 353499758 /nfs/dbraw/zinc/49/97/58/353499758.db2.gz QEMYBLCNIUGYTB-SDDRHHMPSA-N 1 0 284.316 -0.003 20 5 CBBDRO C[NH+]1CCC(CCO)(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354741620 353582039 /nfs/dbraw/zinc/58/20/39/353582039.db2.gz YPGRWMLLIDXXIS-UHFFFAOYSA-N 1 0 297.315 -0.106 20 5 CBBDRO Cc1n[nH]c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358060112 353623048 /nfs/dbraw/zinc/62/30/48/353623048.db2.gz DVIHCUAUPFOCSG-LLVKDONJSA-N 1 0 283.288 -0.577 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000358486689 353647458 /nfs/dbraw/zinc/64/74/58/353647458.db2.gz UYYYELJUJGXTAO-LBPRGKRZSA-N 1 0 295.299 -0.400 20 5 CBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357900321 353612774 /nfs/dbraw/zinc/61/27/74/353612774.db2.gz VEBIYIYHIUWOCR-SECBINFHSA-N 1 0 297.315 -0.221 20 5 CBBDRO CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000408321027 353895166 /nfs/dbraw/zinc/89/51/66/353895166.db2.gz QPJHRITYGKKLJE-UHFFFAOYSA-N 1 0 268.277 -0.603 20 5 CBBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000408145358 353858172 /nfs/dbraw/zinc/85/81/72/353858172.db2.gz RSWQYSBIWCNDFB-VHSXEESVSA-N 1 0 294.315 -0.261 20 5 CBBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408071592 353844084 /nfs/dbraw/zinc/84/40/84/353844084.db2.gz OBBLRIXXDNAFCG-IUCAKERBSA-N 1 0 282.304 -0.263 20 5 CBBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000446400409 354287460 /nfs/dbraw/zinc/28/74/60/354287460.db2.gz JXPVBOZMARJSMW-SFYZADRCSA-N 1 0 268.277 -0.428 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)[C@H]2CCCO2)n1 ZINC000447921928 354309150 /nfs/dbraw/zinc/30/91/50/354309150.db2.gz NBGJUSNCGNQWIC-VHSXEESVSA-N 1 0 270.289 -0.079 20 5 CBBDRO O=C(CC[N@@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444695356 354277196 /nfs/dbraw/zinc/27/71/96/354277196.db2.gz MFPUQLIGRFGQCH-TXEJJXNPSA-N 1 0 295.295 -0.039 20 5 CBBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000451289438 354335816 /nfs/dbraw/zinc/33/58/16/354335816.db2.gz WDGSRGJFHBFCJQ-NSHDSACASA-N 1 0 270.289 -0.127 20 5 CBBDRO [NH3+][C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN2C1=O ZINC000563431265 354704678 /nfs/dbraw/zinc/70/46/78/354704678.db2.gz LRHMKMCLEJQBOI-ZJUUUORDSA-N 1 0 277.284 -0.262 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc[nH]n2)c1 ZINC000566107672 354752312 /nfs/dbraw/zinc/75/23/12/354752312.db2.gz PLYVDKUPPRNMNY-JTQLQIEISA-N 1 0 266.261 -0.335 20 5 CBBDRO [NH3+][C@@H]1C[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702583 354877854 /nfs/dbraw/zinc/87/78/54/354877854.db2.gz NMXGHLKRVDNQGH-GXSJLCMTSA-N 1 0 294.315 -0.965 20 5 CBBDRO CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C[NH3+])C1 ZINC000569972494 354851767 /nfs/dbraw/zinc/85/17/67/354851767.db2.gz ZBWAYPBCRSQEKJ-VIFPVBQESA-N 1 0 293.327 -0.108 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000584530137 355031181 /nfs/dbraw/zinc/03/11/81/355031181.db2.gz MZVPPZVCQAOOML-SCVCMEIPSA-N 1 0 284.316 -0.097 20 5 CBBDRO C[C@@H](C[NH3+])NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000347682940 295895368 /nfs/dbraw/zinc/89/53/68/295895368.db2.gz PDZWCWLRYUUELU-ZETCQYMHSA-N 1 0 255.278 -0.010 20 5 CBBDRO CN1C[C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590010464 355072899 /nfs/dbraw/zinc/07/28/99/355072899.db2.gz IUZBDAOGKHMKIG-WCFLWFBJSA-N 1 0 295.343 -0.212 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1[nH]ncc1[N+](=O)[O-] ZINC000585682912 355049194 /nfs/dbraw/zinc/04/91/94/355049194.db2.gz XHLNLYHZTSTMFQ-SECBINFHSA-N 1 0 294.315 -0.562 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000588864288 355061970 /nfs/dbraw/zinc/06/19/70/355061970.db2.gz DGILCUSPXBJRDV-SSDOTTSWSA-N 1 0 257.246 -0.160 20 5 CBBDRO Cc1nn(C)c(C(=O)N[C@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000588863762 355062095 /nfs/dbraw/zinc/06/20/95/355062095.db2.gz IXRHRPARYQZABG-QMMMGPOBSA-N 1 0 285.304 -0.711 20 5 CBBDRO CN(CCC[NH3+])C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000591678970 355107568 /nfs/dbraw/zinc/10/75/68/355107568.db2.gz LOLXHTCISXPZCF-UHFFFAOYSA-N 1 0 268.273 -0.436 20 5 CBBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000591686785 355107737 /nfs/dbraw/zinc/10/77/37/355107737.db2.gz ZNXODDFVPQFCSS-SECBINFHSA-N 1 0 267.289 -0.095 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCC[NH3+] ZINC000591679729 355107864 /nfs/dbraw/zinc/10/78/64/355107864.db2.gz VQVKTNCNFYDXJG-UHFFFAOYSA-N 1 0 255.278 -0.093 20 5 CBBDRO CCN1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000591765803 355113413 /nfs/dbraw/zinc/11/34/13/355113413.db2.gz IUHGJWGZRPYNKR-MNOVXSKESA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@@H]([NH3+])CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000592547236 355161056 /nfs/dbraw/zinc/16/10/56/355161056.db2.gz UKGSARGPBAHBNE-SSDOTTSWSA-N 1 0 255.278 -0.010 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000592549924 355161897 /nfs/dbraw/zinc/16/18/97/355161897.db2.gz PTVKUHSMENWCLY-SNVBAGLBSA-N 1 0 296.283 -0.100 20 5 CBBDRO O=C(C[C@H]1CC[NH2+]C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000592223115 355144840 /nfs/dbraw/zinc/14/48/40/355144840.db2.gz GVNKQUOBZYWWMI-SECBINFHSA-N 1 0 267.289 -0.093 20 5 CBBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592290200 355146618 /nfs/dbraw/zinc/14/66/18/355146618.db2.gz YQWZJBWJODBIGE-LURJTMIESA-N 1 0 252.230 -0.213 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000592310031 355147248 /nfs/dbraw/zinc/14/72/48/355147248.db2.gz VFJZZPSDPYVYHN-WPRPVWTQSA-N 1 0 297.315 -0.001 20 5 CBBDRO C[C@@H]([NH3+])CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592383465 355150633 /nfs/dbraw/zinc/15/06/33/355150633.db2.gz VXTGDZMWJBZMTG-ZCFIWIBFSA-N 1 0 260.275 -0.385 20 5 CBBDRO C[C@H]([NH3+])CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592383464 355150926 /nfs/dbraw/zinc/15/09/26/355150926.db2.gz VXTGDZMWJBZMTG-LURJTMIESA-N 1 0 260.275 -0.385 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(CO)CCC2)c1 ZINC000592430191 355152588 /nfs/dbraw/zinc/15/25/88/355152588.db2.gz HQRDXYWLNXCYGF-LLVKDONJSA-N 1 0 284.316 -0.096 20 5 CBBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592468541 355155593 /nfs/dbraw/zinc/15/55/93/355155593.db2.gz BORWSKXAUSOXSI-UHFFFAOYSA-N 1 0 282.304 -0.705 20 5 CBBDRO CCO[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000593916700 355230177 /nfs/dbraw/zinc/23/01/77/355230177.db2.gz NQPUSMGNRUCBLC-MWLCHTKSSA-N 1 0 297.315 -0.387 20 5 CBBDRO [NH3+]C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000594451890 355248809 /nfs/dbraw/zinc/24/88/09/355248809.db2.gz RWPLZAIXUGERPL-YFKPBYRVSA-N 1 0 281.194 -0.203 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392723 355245539 /nfs/dbraw/zinc/24/55/39/355245539.db2.gz KBKZUQIROZYZHM-JGVFFNPUSA-N 1 0 281.272 -0.791 20 5 CBBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595122810 355272421 /nfs/dbraw/zinc/27/24/21/355272421.db2.gz VMKJRIKZLVOCIV-ZETCQYMHSA-N 1 0 274.302 -0.124 20 5 CBBDRO Cc1noc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000595497761 355289372 /nfs/dbraw/zinc/28/93/72/355289372.db2.gz PQAUKOFLLIKITH-IUCAKERBSA-N 1 0 270.289 -0.002 20 5 CBBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000595662313 355299548 /nfs/dbraw/zinc/29/95/48/355299548.db2.gz LMMZRTOWPBDSFT-WCBMZHEXSA-N 1 0 284.272 -0.289 20 5 CBBDRO CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000595784379 355306960 /nfs/dbraw/zinc/30/69/60/355306960.db2.gz TUXYYUXVZZEBSL-NSHDSACASA-N 1 0 297.315 -0.684 20 5 CBBDRO [NH3+]CCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)CO ZINC000595901715 355316416 /nfs/dbraw/zinc/31/64/16/355316416.db2.gz IBIBJUOKSOSAPE-NSHDSACASA-N 1 0 287.291 -0.152 20 5 CBBDRO COc1ccc(CN(CC[NH3+])C[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000595901181 355316985 /nfs/dbraw/zinc/31/69/85/355316985.db2.gz CYSJUKYMPLXIKL-LLVKDONJSA-N 1 0 299.327 -0.283 20 5 CBBDRO C[NH+](C)C[C@H](CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596242364 355350934 /nfs/dbraw/zinc/35/09/34/355350934.db2.gz FVTRKAHVPPICSZ-SSDOTTSWSA-N 1 0 283.288 -0.577 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1c[nH]nc1[N+](=O)[O-] ZINC000597627421 355402058 /nfs/dbraw/zinc/40/20/58/355402058.db2.gz ZQONSAZEAWRXJA-SECBINFHSA-N 1 0 294.315 -0.562 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597652404 355403780 /nfs/dbraw/zinc/40/37/80/355403780.db2.gz AZWZCKLFESDQBW-VIFPVBQESA-N 1 0 299.331 -0.435 20 5 CBBDRO CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[N@H+](C)C1 ZINC000597945526 355424393 /nfs/dbraw/zinc/42/43/93/355424393.db2.gz HOWYMRSVZLNEEH-VIFPVBQESA-N 1 0 282.304 -0.261 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000598162018 355433492 /nfs/dbraw/zinc/43/34/92/355433492.db2.gz GJYFXKLKIUVUDH-UHFFFAOYSA-N 1 0 294.311 -0.224 20 5 CBBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599646082 355505748 /nfs/dbraw/zinc/50/57/48/355505748.db2.gz YYDFNNLRXQWURI-DTORHVGOSA-N 1 0 267.289 -0.013 20 5 CBBDRO CC[NH2+]CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097070 355463477 /nfs/dbraw/zinc/46/34/77/355463477.db2.gz FEWUQUKSMPEEIB-UHFFFAOYSA-N 1 0 277.306 -0.784 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[NH3+])C2CC2)n1 ZINC000599096907 355463816 /nfs/dbraw/zinc/46/38/16/355463816.db2.gz AYGHZJISBPBBSY-SSDOTTSWSA-N 1 0 289.317 -0.656 20 5 CBBDRO CN(C1CC([NH3+])C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599109229 355464424 /nfs/dbraw/zinc/46/44/24/355464424.db2.gz UWBQOFFYYTYUIG-UHFFFAOYSA-N 1 0 289.317 -0.562 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)n1 ZINC000599101519 355464488 /nfs/dbraw/zinc/46/44/88/355464488.db2.gz QMTUPKCBCPHAPM-VIFPVBQESA-N 1 0 289.317 -0.641 20 5 CBBDRO CCN(CC[NH3+])S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599105836 355464503 /nfs/dbraw/zinc/46/45/03/355464503.db2.gz FZCMSDVIHFISEZ-UHFFFAOYSA-N 1 0 274.302 -0.041 20 5 CBBDRO O=[N+]([O-])c1cnn(CCNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000600727779 355562964 /nfs/dbraw/zinc/56/29/64/355562964.db2.gz MLRPACCGCJCHKP-GFCCVEGCSA-N 1 0 283.332 -0.162 20 5 CBBDRO O=[N+]([O-])c1cnn(CCNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000600727785 355563187 /nfs/dbraw/zinc/56/31/87/355563187.db2.gz MLRPACCGCJCHKP-LBPRGKRZSA-N 1 0 283.332 -0.162 20 5 CBBDRO CN1CCOC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600756725 355565062 /nfs/dbraw/zinc/56/50/62/355565062.db2.gz OVSXPFQXRGXCBW-RYUDHWBXSA-N 1 0 299.331 -0.928 20 5 CBBDRO CCc1n[nH]c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600806790 355566529 /nfs/dbraw/zinc/56/65/29/355566529.db2.gz GEBAQHCHRCPPNB-QMMMGPOBSA-N 1 0 297.315 -0.323 20 5 CBBDRO C[C@H](O)C[NH+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602463462 355652272 /nfs/dbraw/zinc/65/22/72/355652272.db2.gz VETWAWQVKLGHEB-JTQLQIEISA-N 1 0 283.332 -0.173 20 5 CBBDRO C[NH2+]CCOCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000602561438 355661684 /nfs/dbraw/zinc/66/16/84/355661684.db2.gz FTSMFSPBKHPKOX-UHFFFAOYSA-N 1 0 270.289 -0.101 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602587405 355663270 /nfs/dbraw/zinc/66/32/70/355663270.db2.gz GEGRSYARBVMAHY-YUMQZZPRSA-N 1 0 251.246 -0.636 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593322 355663530 /nfs/dbraw/zinc/66/35/30/355663530.db2.gz XNNPAZDMDOYJAG-AOOOYVTPSA-N 1 0 292.295 -0.281 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590751 355663952 /nfs/dbraw/zinc/66/39/52/355663952.db2.gz ZISWGVNHPYTNHY-WPRPVWTQSA-N 1 0 278.268 -0.671 20 5 CBBDRO Cn1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000603430066 355715127 /nfs/dbraw/zinc/71/51/27/355715127.db2.gz RAYCAYDUSVDYML-LBPRGKRZSA-N 1 0 294.359 -0.192 20 5 CBBDRO Cn1cc(CN2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430586 355715489 /nfs/dbraw/zinc/71/54/89/355715489.db2.gz TXJITZAYXATUIP-SNVBAGLBSA-N 1 0 269.305 -0.122 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608905882 355765350 /nfs/dbraw/zinc/76/53/50/355765350.db2.gz LJEJHXZSHHXAGY-JTQLQIEISA-N 1 0 294.315 -0.117 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609345063 355768896 /nfs/dbraw/zinc/76/88/96/355768896.db2.gz SBOIYWPOXIDFOE-QMMMGPOBSA-N 1 0 280.288 -0.461 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000610336111 355777894 /nfs/dbraw/zinc/77/78/94/355777894.db2.gz KHAMQPCWBTWWGP-JBLDHEPKSA-N 1 0 281.316 -0.697 20 5 CBBDRO C[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000610654050 355784068 /nfs/dbraw/zinc/78/40/68/355784068.db2.gz FROMOJQYFFCYCV-IUCAKERBSA-N 1 0 294.315 -0.072 20 5 CBBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714622 355785953 /nfs/dbraw/zinc/78/59/53/355785953.db2.gz ZZTGSHMQWFOHBW-WCBMZHEXSA-N 1 0 294.315 -0.215 20 5 CBBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714620 355786228 /nfs/dbraw/zinc/78/62/28/355786228.db2.gz ZZTGSHMQWFOHBW-PSASIEDQSA-N 1 0 294.315 -0.215 20 5 CBBDRO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000610892208 355789014 /nfs/dbraw/zinc/78/90/14/355789014.db2.gz KWWTXXOKQAFZJI-QMMMGPOBSA-N 1 0 255.278 -0.142 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000611185729 355796378 /nfs/dbraw/zinc/79/63/78/355796378.db2.gz VVBXUHYJWPPJDA-PHIMTYICSA-N 1 0 278.312 -0.092 20 5 CBBDRO [NH3+]C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000178167895 189094849 /nfs/dbraw/zinc/09/48/49/189094849.db2.gz AWUPAWXSGZJLHW-SECBINFHSA-N 1 0 253.262 -0.355 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCC[NH2+]C1 ZINC000178388636 189112410 /nfs/dbraw/zinc/11/24/10/189112410.db2.gz QGXPXMBXHMLMMW-MRVPVSSYSA-N 1 0 253.262 -0.341 20 5 CBBDRO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[NH2+]C1 ZINC000179050135 189165309 /nfs/dbraw/zinc/16/53/09/189165309.db2.gz HRNXMLCODUYZBA-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000179180190 189174781 /nfs/dbraw/zinc/17/47/81/189174781.db2.gz LBNFFWFBRZETRG-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000193570186 189645606 /nfs/dbraw/zinc/64/56/06/189645606.db2.gz PIXGFPIMSZSDMY-WCBMZHEXSA-N 1 0 267.289 -0.095 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000552155268 283977193 /nfs/dbraw/zinc/97/71/93/283977193.db2.gz NUUPVMCDYZWMIH-QWRGUYRKSA-N 1 0 280.284 -0.263 20 5 CBBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330804729 203255861 /nfs/dbraw/zinc/25/58/61/203255861.db2.gz LFEKFESFSDJNKC-JTQLQIEISA-N 1 0 296.331 -0.014 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@]1(CO)CCOC1 ZINC000330910534 203380466 /nfs/dbraw/zinc/38/04/66/203380466.db2.gz VLTRLOUEYRYOGX-NSHDSACASA-N 1 0 270.289 -0.126 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(O)C1 ZINC000331609249 204008816 /nfs/dbraw/zinc/00/88/16/204008816.db2.gz PAUXQGINEIXBKG-BOBPJJCASA-N 1 0 270.289 -0.393 20 5 CBBDRO CC(C)(C(=O)NCCC[NH3+])n1cc([N+](=O)[O-])cn1 ZINC000236705749 189840063 /nfs/dbraw/zinc/84/00/63/189840063.db2.gz AVFBAZLQRUEZCU-UHFFFAOYSA-N 1 0 255.278 -0.009 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+]1CCC1 ZINC000337326040 214007735 /nfs/dbraw/zinc/00/77/35/214007735.db2.gz VQUQMUAKEPMPNR-UHFFFAOYSA-N 1 0 267.289 -0.078 20 5 CBBDRO [NH3+]C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000238072121 189898969 /nfs/dbraw/zinc/89/89/69/189898969.db2.gz CDLIOIJIXLDQJC-MRVPVSSYSA-N 1 0 253.262 -0.355 20 5 CBBDRO C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]2C1 ZINC000278718253 372926110 /nfs/dbraw/zinc/92/61/10/372926110.db2.gz JVKRFGRCPTWWRC-OCAPTIKFSA-N 1 0 264.289 -0.035 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000360647004 373221129 /nfs/dbraw/zinc/22/11/29/373221129.db2.gz LICZWPIMJHSDCF-NSHDSACASA-N 1 0 285.304 -0.629 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNc2ccncc2[N+](=O)[O-])C1 ZINC000361014762 373254716 /nfs/dbraw/zinc/25/47/16/373254716.db2.gz OMFCDWUNHTXVNL-LLVKDONJSA-N 1 0 252.274 -0.110 20 5 CBBDRO C[C@]1(C(N)=O)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361558174 373309851 /nfs/dbraw/zinc/30/98/51/373309851.db2.gz VAXNRHASEZXPSG-PWSUYJOCSA-N 1 0 297.315 -0.651 20 5 CBBDRO Cn1cc([C@H](CO)[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000494803998 373743535 /nfs/dbraw/zinc/74/35/35/373743535.db2.gz ABKQHVXUTRAURO-JTQLQIEISA-N 1 0 280.288 -0.152 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000514601759 373755583 /nfs/dbraw/zinc/75/55/83/373755583.db2.gz AXOVXAMDKPXSJQ-NKWVEPMBSA-N 1 0 255.278 -0.048 20 5 CBBDRO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000563732673 374325042 /nfs/dbraw/zinc/32/50/42/374325042.db2.gz MOUDWOZWOFEDCN-ZETCQYMHSA-N 1 0 298.303 -0.886 20 5 CBBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000583752723 374365336 /nfs/dbraw/zinc/36/53/36/374365336.db2.gz ZUCUZBJYNSMJHQ-SSDOTTSWSA-N 1 0 291.333 -0.173 20 5 CBBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000262227858 190051159 /nfs/dbraw/zinc/05/11/59/190051159.db2.gz PWUUQYXCXKIACG-UHFFFAOYSA-N 1 0 293.327 -0.188 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262343810 190053352 /nfs/dbraw/zinc/05/33/52/190053352.db2.gz CZMXCOMGTVWSMU-UHFFFAOYSA-N 1 0 280.284 -0.672 20 5 CBBDRO NC(=O)c1ccc(SCC(=O)NCC[NH3+])c([N+](=O)[O-])c1 ZINC000262503785 190056543 /nfs/dbraw/zinc/05/65/43/190056543.db2.gz ITVNIHCGUIDTKM-UHFFFAOYSA-N 1 0 298.324 -0.139 20 5 CBBDRO C[C@@H]1[NH2+]CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000262704938 190061235 /nfs/dbraw/zinc/06/12/35/190061235.db2.gz BJMCSOPRDMHVDQ-UWVGGRQHSA-N 1 0 294.311 -0.035 20 5 CBBDRO C[NH+](C)[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000264018332 190089071 /nfs/dbraw/zinc/08/90/71/190089071.db2.gz NWTRYBSHKHHRJF-VIFPVBQESA-N 1 0 267.289 -0.046 20 5 CBBDRO Nc1nc(N2CCC[N@H+](CCO)CC2)ncc1[N+](=O)[O-] ZINC000264181397 190094538 /nfs/dbraw/zinc/09/45/38/190094538.db2.gz YVGFAVREJBTSOA-UHFFFAOYSA-N 1 0 282.304 -0.529 20 5 CBBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356870083 248296128 /nfs/dbraw/zinc/29/61/28/248296128.db2.gz CXQPOMRPSYSSIA-RKDXNWHRSA-N 1 0 282.304 -0.263 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347354847 218202395 /nfs/dbraw/zinc/20/23/95/218202395.db2.gz ZMLMSMLIBZNTOX-TXEJJXNPSA-N 1 0 297.311 -0.426 20 5 CBBDRO [NH3+]CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000347498043 218256446 /nfs/dbraw/zinc/25/64/46/218256446.db2.gz NOQPOFDOTGPTQH-UHFFFAOYSA-N 1 0 280.284 -0.210 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC000347653849 218308585 /nfs/dbraw/zinc/30/85/85/218308585.db2.gz LSLZNPWBOVQSPI-RKDXNWHRSA-N 1 0 279.300 -0.038 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)[NH2+]1 ZINC000154087095 207382115 /nfs/dbraw/zinc/38/21/15/207382115.db2.gz JDYBFYGBYUACHU-UWVGGRQHSA-N 1 0 294.311 -0.035 20 5 CBBDRO CC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[NH2+]C1 ZINC000423895175 207950245 /nfs/dbraw/zinc/95/02/45/207950245.db2.gz FQVFEUWPYMYOPJ-UHFFFAOYSA-N 1 0 253.262 -0.483 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[NH2+]C1 ZINC000428184411 208082340 /nfs/dbraw/zinc/08/23/40/208082340.db2.gz MMPHIYSBOWEGOR-MRVPVSSYSA-N 1 0 266.257 -0.765 20 5 CBBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000428519728 208089868 /nfs/dbraw/zinc/08/98/68/208089868.db2.gz CXUMCCMHAVHINQ-QMMMGPOBSA-N 1 0 268.277 -0.474 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[C@H](C)[NH3+] ZINC000429045512 208108285 /nfs/dbraw/zinc/10/82/85/208108285.db2.gz LJHHGXJEAVKHEZ-ZETCQYMHSA-N 1 0 255.278 -0.047 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000429186843 208113859 /nfs/dbraw/zinc/11/38/59/208113859.db2.gz VNAYICGDEIVECD-BDAKNGLRSA-N 1 0 267.289 -0.013 20 5 CBBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429184483 208114462 /nfs/dbraw/zinc/11/44/62/208114462.db2.gz BQCIJSPHEHAHPP-JGVFFNPUSA-N 1 0 268.277 -0.570 20 5 CBBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000432514615 208224556 /nfs/dbraw/zinc/22/45/56/208224556.db2.gz MXDZAUNEORSXCK-RKDXNWHRSA-N 1 0 267.289 -0.095 20 5 CBBDRO Cn1c(C(=O)NCCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000035307416 172120973 /nfs/dbraw/zinc/12/09/73/172120973.db2.gz MJFPMIGQPKUHSH-UHFFFAOYSA-N 1 0 295.343 -0.042 20 5 CBBDRO C[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285678935 196364678 /nfs/dbraw/zinc/36/46/78/196364678.db2.gz ZVGPCGUTWPMTNV-UHFFFAOYSA-N 1 0 282.304 -0.705 20 5 CBBDRO C[C@H](O)C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000189347555 419527673 /nfs/dbraw/zinc/52/76/73/419527673.db2.gz LLWFTHMDOWGDKD-NSHDSACASA-N 1 0 283.332 -0.210 20 5 CBBDRO C[C@H](O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO ZINC000190816986 419533228 /nfs/dbraw/zinc/53/32/28/419533228.db2.gz QMSURNZKPXZMGW-UWVGGRQHSA-N 1 0 272.305 -0.145 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183952053 419514133 /nfs/dbraw/zinc/51/41/33/419514133.db2.gz CPXPHMSYWMNUAB-UHFFFAOYSA-N 1 0 297.315 -0.384 20 5 CBBDRO C[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1C[NH3+] ZINC000237509103 419583742 /nfs/dbraw/zinc/58/37/42/419583742.db2.gz QLCQBBMJVAMBQO-RKDXNWHRSA-N 1 0 282.304 -0.228 20 5 CBBDRO C[C@@H]1COCCN1CCNc1ncc([N+](=O)[O-])cn1 ZINC000354600238 419854023 /nfs/dbraw/zinc/85/40/23/419854023.db2.gz JWPZECDBMYGIGI-SECBINFHSA-N 1 0 267.289 0.517 20 5 CBBDRO CO[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000359210684 419948960 /nfs/dbraw/zinc/94/89/60/419948960.db2.gz BJQGAFSNUKPFLG-GXSJLCMTSA-N 1 0 297.315 -0.244 20 5 CBBDRO C[C@H](CO)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000364957975 420050081 /nfs/dbraw/zinc/05/00/81/420050081.db2.gz XTTKCESFIDAOPW-SECBINFHSA-N 1 0 296.331 -0.140 20 5 CBBDRO O=C1NC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]12 ZINC000368232766 420127195 /nfs/dbraw/zinc/12/71/95/420127195.db2.gz SYZIAYHVIBYADT-KOLCDFICSA-N 1 0 279.300 -0.141 20 5 CBBDRO CCN1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000391568001 420207562 /nfs/dbraw/zinc/20/75/62/420207562.db2.gz BYGOBVWWGMJEMN-GXSJLCMTSA-N 1 0 297.315 -0.637 20 5 CBBDRO CN1CC[NH2+]C[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000394830681 420213613 /nfs/dbraw/zinc/21/36/13/420213613.db2.gz ULYIHYRNCLKPKX-ZETCQYMHSA-N 1 0 257.319 0.367 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405275567 420226342 /nfs/dbraw/zinc/22/63/42/420226342.db2.gz RHWDNKQPMHBGFB-NWDGAFQWSA-N 1 0 295.343 -0.149 20 5 CBBDRO C[NH+](C)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548712805 420424088 /nfs/dbraw/zinc/42/40/88/420424088.db2.gz XNQIZCPEUIOGOL-UHFFFAOYSA-N 1 0 253.262 -0.137 20 5 CBBDRO COc1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1[N+](=O)[O-] ZINC000269256156 230198056 /nfs/dbraw/zinc/19/80/56/230198056.db2.gz PBHCMYDEPHYRQS-NXEZZACHSA-N 1 0 295.295 -0.058 20 5 CBBDRO Nc1nc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC000591439646 420479221 /nfs/dbraw/zinc/47/92/21/420479221.db2.gz XNYVNPXLMBRSHL-HTQZYQBOSA-N 1 0 264.289 0.155 20 5 CBBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000237982186 269581787 /nfs/dbraw/zinc/58/17/87/269581787.db2.gz RYCKLWLQTNQDIC-BDAKNGLRSA-N 1 0 282.304 -0.180 20 5 CBBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000238011120 269582495 /nfs/dbraw/zinc/58/24/95/269582495.db2.gz RYCKLWLQTNQDIC-RKDXNWHRSA-N 1 0 282.304 -0.180 20 5 CBBDRO C[NH2+]CCN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237296198 273960530 /nfs/dbraw/zinc/96/05/30/273960530.db2.gz NGUPKEATVMMQGF-UHFFFAOYSA-N 1 0 268.273 -0.566 20 5 CBBDRO CN(CC[NH+](C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000267084480 289127615 /nfs/dbraw/zinc/12/76/15/289127615.db2.gz HFVHLHBBMZMOCO-UHFFFAOYSA-N 1 0 255.278 -0.189 20 5 CBBDRO O=C1C[C@H]([NH2+]CCO)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000570859721 327627896 /nfs/dbraw/zinc/62/78/96/327627896.db2.gz FPUMAARBZLHSCZ-JTQLQIEISA-N 1 0 279.252 -0.191 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](CO)C2CC2)c1 ZINC000565422058 327993589 /nfs/dbraw/zinc/99/35/89/327993589.db2.gz LCMQNVNIFKNXAX-PWSUYJOCSA-N 1 0 284.316 -0.240 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000583993448 326833999 /nfs/dbraw/zinc/83/39/99/326833999.db2.gz CKMNQFYUYIRGDU-LLVKDONJSA-N 1 0 297.315 -0.242 20 5 CBBDRO C[NH2+]C[C@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000577274736 327245692 /nfs/dbraw/zinc/24/56/92/327245692.db2.gz LQAGOYVVJSQFDB-QMMMGPOBSA-N 1 0 255.278 -0.237 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000564944337 327247248 /nfs/dbraw/zinc/24/72/48/327247248.db2.gz NQWZFGQZYRDWHF-SECBINFHSA-N 1 0 296.331 -0.474 20 5 CBBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C[NH3+])C1 ZINC000571678082 328840172 /nfs/dbraw/zinc/84/01/72/328840172.db2.gz BHPFOXUPIGFQTA-ZETCQYMHSA-N 1 0 268.277 -0.967 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)CN2CCOCC2)c1 ZINC000582959745 329289665 /nfs/dbraw/zinc/28/96/65/329289665.db2.gz MANQQJHZHQVOOP-GFCCVEGCSA-N 1 0 299.331 -0.926 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)CN2CCOCC2)c1 ZINC000582959746 329289958 /nfs/dbraw/zinc/28/99/58/329289958.db2.gz MANQQJHZHQVOOP-LBPRGKRZSA-N 1 0 299.331 -0.926 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000576159932 335162564 /nfs/dbraw/zinc/16/25/64/335162564.db2.gz MDDMCLFZYYKAAL-FKTZTGRPSA-N 1 0 256.262 -0.735 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCN(C)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000564944268 334529548 /nfs/dbraw/zinc/52/95/48/334529548.db2.gz KGIAHMSYNVMFOT-SECBINFHSA-N 1 0 296.331 -0.648 20 5 CBBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NCC[NH+](C)C ZINC000565208096 334545018 /nfs/dbraw/zinc/54/50/18/334545018.db2.gz ZBCAZTCUNWWOAE-MRVPVSSYSA-N 1 0 297.315 -0.281 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1(C[NH3+])CCC1 ZINC000567673320 334750292 /nfs/dbraw/zinc/75/02/92/334750292.db2.gz PQIWHKQPAASKFR-UHFFFAOYSA-N 1 0 268.277 -0.474 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CC[NH2+]CC1 ZINC000178404091 335430087 /nfs/dbraw/zinc/43/00/87/335430087.db2.gz OKQOEVYIPSXZOY-UHFFFAOYSA-N 1 0 267.289 -0.093 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)n1 ZINC000578082493 335483843 /nfs/dbraw/zinc/48/38/43/335483843.db2.gz RROURFXOSUNANM-CBAPKCEASA-N 1 0 283.288 -0.925 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC2CC(O)C2)c1 ZINC000578132344 335512030 /nfs/dbraw/zinc/51/20/30/335512030.db2.gz YRSQYZLTOFVMBN-QEWOUOOISA-N 1 0 284.316 -0.097 20 5 CBBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)O ZINC000386757089 336177857 /nfs/dbraw/zinc/17/78/57/336177857.db2.gz HRTVMCKIUMLTGI-IEBDPFPHSA-N 1 0 272.305 -0.099 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH2+]CC1 ZINC000581999720 336188055 /nfs/dbraw/zinc/18/80/55/336188055.db2.gz DZEYHTWEBLEBNG-UHFFFAOYSA-N 1 0 252.230 -0.259 20 5 CBBDRO O=C1NC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]12 ZINC000377683061 534787744 /nfs/dbraw/zinc/78/77/44/534787744.db2.gz ZBURGBPWQXCGFE-UWVGGRQHSA-N 1 0 279.300 -0.141 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782616048 582369973 /nfs/dbraw/zinc/36/99/73/582369973.db2.gz LRGCNRLVKUOYHX-MVWJERBFSA-N 1 0 282.300 -0.534 20 5 CBBDRO O=C1C[C@]2(CCN(Cn3cc([N+](=O)[O-])cn3)C2)CN1 ZINC000788384524 582385791 /nfs/dbraw/zinc/38/57/91/582385791.db2.gz SYSPIUNZQORLPQ-LLVKDONJSA-N 1 0 265.273 -0.039 20 5 CBBDRO NC(=O)[C@]1(O)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473210 582386136 /nfs/dbraw/zinc/38/61/36/582386136.db2.gz IDTPJSZXMPDCNK-AAEUAGOBSA-N 1 0 295.295 -0.450 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808218554 582442303 /nfs/dbraw/zinc/44/23/03/582442303.db2.gz JDHMBGHSTUYSON-SNVBAGLBSA-N 1 0 297.315 -0.636 20 5 CBBDRO Cn1nnnc1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819206626 582528777 /nfs/dbraw/zinc/52/87/77/582528777.db2.gz YZQDWROIRYCCTH-NSHDSACASA-N 1 0 292.299 -0.016 20 5 CBBDRO Cn1nnnc1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819205808 582528808 /nfs/dbraw/zinc/52/88/08/582528808.db2.gz NSNGRLGJVHXLMS-LLVKDONJSA-N 1 0 292.299 -0.016 20 5 CBBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@H]21 ZINC000827335847 582811788 /nfs/dbraw/zinc/81/17/88/582811788.db2.gz AIOHPNCDYFGRFH-NXEZZACHSA-N 1 0 294.315 -0.261 20 5 CBBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000827335850 582811912 /nfs/dbraw/zinc/81/19/12/582811912.db2.gz AIOHPNCDYFGRFH-ZJUUUORDSA-N 1 0 294.315 -0.261 20 5 CBBDRO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CC1C[NH2+]C1 ZINC000830414726 582932278 /nfs/dbraw/zinc/93/22/78/582932278.db2.gz VZLQOVJRJANWGA-UHFFFAOYSA-N 1 0 297.292 -0.041 20 5 CBBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839640905 583157242 /nfs/dbraw/zinc/15/72/42/583157242.db2.gz NGJSFTJEDAITRL-HBNTYKKESA-N 1 0 271.317 -0.121 20 5 CBBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 ZINC000839778073 583159664 /nfs/dbraw/zinc/15/96/64/583159664.db2.gz MPBBHMTXISTKBZ-WISYIIOYSA-N 1 0 283.328 -0.027 20 5 CBBDRO COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840324333 583163767 /nfs/dbraw/zinc/16/37/67/583163767.db2.gz BPWRTUVEYAMJJK-NXEZZACHSA-N 1 0 259.306 -0.312 20 5 CBBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C(CO)CO)c1 ZINC000843060348 583198579 /nfs/dbraw/zinc/19/85/79/583198579.db2.gz UUHQLKGBKJVNNZ-LLVKDONJSA-N 1 0 256.258 -0.429 20 5 CBBDRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843062100 583198997 /nfs/dbraw/zinc/19/89/97/583198997.db2.gz LURSNGXHSPLPQK-GGZOMVNGSA-N 1 0 270.285 -0.041 20 5 CBBDRO C[NH2+]C[C@@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843078593 583200252 /nfs/dbraw/zinc/20/02/52/583200252.db2.gz QUMMENGPWZDQSM-NEPJUHHUSA-N 1 0 269.301 -0.202 20 5 CBBDRO O=c1c(F)cc([N+](=O)[O-])cn1C[C@@H]1C[NH2+]CCO1 ZINC000849240700 583475145 /nfs/dbraw/zinc/47/51/45/583475145.db2.gz SSIIZEUBONWVTP-QMMMGPOBSA-N 1 0 257.221 -0.116 20 5 CBBDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000850586305 583501663 /nfs/dbraw/zinc/50/16/63/583501663.db2.gz ODSDUOCMTVYRNM-LURJTMIESA-N 1 0 260.275 -0.385 20 5 CBBDRO [NH3+]CCN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](O)CO ZINC000852753432 583551645 /nfs/dbraw/zinc/55/16/45/583551645.db2.gz AXKXRRCPZHOFOK-NSHDSACASA-N 1 0 287.291 -0.152 20 5 CBBDRO CCn1cc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000858643065 583700282 /nfs/dbraw/zinc/70/02/82/583700282.db2.gz UGQXPVQYEUWIDF-SSDOTTSWSA-N 1 0 291.333 -0.221 20 5 CBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000859455260 583721069 /nfs/dbraw/zinc/72/10/69/583721069.db2.gz AJOVJWJPFDTTKD-SRVKXCTJSA-N 1 0 268.269 -0.334 20 5 CBBDRO O=C1OC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000860159473 583739631 /nfs/dbraw/zinc/73/96/31/583739631.db2.gz JIQKXTVESFRKPT-PSASIEDQSA-N 1 0 266.257 -0.104 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)OCC[NH+]1CCC1 ZINC000861386462 583766784 /nfs/dbraw/zinc/76/67/84/583766784.db2.gz AFXHVRHLKPTNGA-UHFFFAOYSA-N 1 0 255.234 -0.565 20 5 CBBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863832800 583859344 /nfs/dbraw/zinc/85/93/44/583859344.db2.gz FGBUOEXPMTVGOH-VIFPVBQESA-N 1 0 295.299 -0.632 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1C[N@H+](C)CCN1C ZINC000892467664 584617045 /nfs/dbraw/zinc/61/70/45/584617045.db2.gz KCARCXMSNOFGQK-VIFPVBQESA-N 1 0 268.321 -0.014 20 5 CBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c([N+](=O)[O-])cnn1C ZINC000894353618 584656231 /nfs/dbraw/zinc/65/62/31/584656231.db2.gz KKDBVUNMWOZCSX-SECBINFHSA-N 1 0 296.331 -0.116 20 5 CBBDRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905261715 656347137 /nfs/dbraw/zinc/34/71/37/656347137.db2.gz IYFGVMDVEXZTHN-SECBINFHSA-N 1 0 280.350 -0.877 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000923454796 658288102 /nfs/dbraw/zinc/28/81/02/658288102.db2.gz OIQZGDZGUNIVAQ-WCFLWFBJSA-N 1 0 295.343 -0.164 20 5 CBBDRO CCN(CC)C(=O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228808336 656110314 /nfs/dbraw/zinc/11/03/14/656110314.db2.gz BHIXNIRFIZSGQZ-NSHDSACASA-N 1 0 299.331 -0.390 20 5 CBBDRO CN1CC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000712587279 656210568 /nfs/dbraw/zinc/21/05/68/656210568.db2.gz RTRJIVZEZDXTSM-KOLCDFICSA-N 1 0 269.305 -0.554 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000713664620 656212739 /nfs/dbraw/zinc/21/27/39/656212739.db2.gz VVURWMJWYRFQKC-LLVKDONJSA-N 1 0 267.289 -0.112 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC12CC[NH+](CC1)C2 ZINC000913628578 657563786 /nfs/dbraw/zinc/56/37/86/657563786.db2.gz JNTQXYBZMHAPLV-UHFFFAOYSA-N 1 0 292.295 -0.279 20 5 CBBDRO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCC1 ZINC001020138997 658017608 /nfs/dbraw/zinc/01/76/08/658017608.db2.gz LWCOKHFKGWGFLQ-GWOFURMSSA-N 1 0 296.327 -0.879 20 5 CBBDRO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)[NH2+]1 ZINC000923285899 658194081 /nfs/dbraw/zinc/19/40/81/658194081.db2.gz HNSUHFXORFMARU-JFGNBEQYSA-N 1 0 283.332 -0.166 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[NH+](C)C ZINC000929164427 659097048 /nfs/dbraw/zinc/09/70/48/659097048.db2.gz IDSIQDRLCYIBPB-UHFFFAOYSA-N 1 0 255.278 -0.222 20 5 CBBDRO C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985435298 659385796 /nfs/dbraw/zinc/38/57/96/659385796.db2.gz YMLJMKAFUXSEQQ-GHMZBOCLSA-N 1 0 271.317 -0.433 20 5 CBBDRO Nc1nc(N2CCN3CC[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164398573 718835865 /nfs/dbraw/zinc/83/58/65/718835865.db2.gz GXEVDJKXDWKNRM-SECBINFHSA-N 1 0 278.316 -0.334 20 5 CBBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001164672019 719370984 /nfs/dbraw/zinc/37/09/84/719370984.db2.gz XXMQVJFCOCXTHX-WDEREUQCSA-N 1 0 280.284 -0.253 20 5 CBBDRO C[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001164672018 719371405 /nfs/dbraw/zinc/37/14/05/719371405.db2.gz XXMQVJFCOCXTHX-QWRGUYRKSA-N 1 0 280.284 -0.253 20 5 CBBDRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001022063943 790985915 /nfs/dbraw/zinc/98/59/15/790985915.db2.gz QHMJOYUWBLQVGJ-WRWGMCAJSA-N 1 0 293.327 -0.178 20 5 CBBDRO Cn1cncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064114 790986049 /nfs/dbraw/zinc/98/60/49/790986049.db2.gz WXBKNNWZWRRVQP-RBLKWDMZSA-N 1 0 293.327 -0.178 20 5 CBBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064081 790987904 /nfs/dbraw/zinc/98/79/04/790987904.db2.gz VBSFHCZTAZWXAO-BKFJMODKSA-N 1 0 297.340 -0.060 20 5 CBBDRO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064082 790988007 /nfs/dbraw/zinc/98/80/07/790988007.db2.gz VGCTZQGIWWRBCS-JZSSXWJLSA-N 1 0 294.315 -0.783 20 5 CBBDRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022633579 791034730 /nfs/dbraw/zinc/03/47/30/791034730.db2.gz MOQJQWRBDNTGQM-AOOOYVTPSA-N 1 0 292.295 -0.183 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048812300 801972438 /nfs/dbraw/zinc/97/24/38/801972438.db2.gz FRJALZRAJMKKRY-WRWGMCAJSA-N 1 0 283.328 -0.576 20 5 CBBDRO NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050517025 802066592 /nfs/dbraw/zinc/06/65/92/802066592.db2.gz NBUASTVFSLJVEP-NXEZZACHSA-N 1 0 296.327 -0.939 20 5 CBBDRO O=C(NC1C[NH2+]C1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117981084 812461154 /nfs/dbraw/zinc/46/11/54/812461154.db2.gz QVKLMFKLVHTBNA-UHFFFAOYSA-N 1 0 290.279 -0.475 20 5 CBBDRO CN(CC[N@H+](C)CCO)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001149207176 814976735 /nfs/dbraw/zinc/97/67/35/814976735.db2.gz YGZKITOIZNHJNK-UHFFFAOYSA-N 1 0 285.304 -0.676 20 5 CBBDRO C[NH+](C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001322897779 803952787 /nfs/dbraw/zinc/95/27/87/803952787.db2.gz GYRNYRYZLVCONE-UHFFFAOYSA-N 1 0 268.273 -0.566 20 5 CBBDRO NC(=O)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001324141729 804112466 /nfs/dbraw/zinc/11/24/66/804112466.db2.gz NBKJLHYCLBNFQS-JTQLQIEISA-N 1 0 294.311 -0.046 20 5 CBBDRO CC1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC001325825883 804320698 /nfs/dbraw/zinc/32/06/98/804320698.db2.gz JRQOOOYNANALRR-UHFFFAOYSA-N 1 0 268.277 -0.555 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072725413 805330283 /nfs/dbraw/zinc/33/02/83/805330283.db2.gz MDICNLRDLXWOOE-NXEZZACHSA-N 1 0 269.301 -0.822 20 5 CBBDRO COCCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154021215 815194740 /nfs/dbraw/zinc/19/47/40/815194740.db2.gz DPIXOFOQXJUUID-UHFFFAOYSA-N 1 0 299.331 -0.039 20 5 CBBDRO COc1nc(N(CC[NH3+])S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC001154766380 815238852 /nfs/dbraw/zinc/23/88/52/815238852.db2.gz WGHPNBZEOOJRMP-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1ncc([N+](=O)[O-])cc1F ZINC001154765892 815238861 /nfs/dbraw/zinc/23/88/61/815238861.db2.gz LIEACAQZEIPMSP-UHFFFAOYSA-N 1 0 278.265 -0.146 20 5 CBBDRO COc1ncnc(N(CC[NH3+])S(C)(=O)=O)c1[N+](=O)[O-] ZINC001154770061 815239563 /nfs/dbraw/zinc/23/95/63/815239563.db2.gz BLBLADJMPPIPCE-UHFFFAOYSA-N 1 0 291.289 -0.882 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155510965 815288977 /nfs/dbraw/zinc/28/89/77/815288977.db2.gz QNPZHMBFNBVJGJ-SZEHBUNVSA-N 1 0 265.273 -0.029 20 5 CBBDRO COc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155570997 815294437 /nfs/dbraw/zinc/29/44/37/815294437.db2.gz QCAVKZSKCYBHBG-QPUJVOFHSA-N 1 0 293.283 -0.012 20 5 CBBDRO Nc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155574080 815296931 /nfs/dbraw/zinc/29/69/31/815296931.db2.gz DWXRKUOQWBWTAW-GZMMTYOYSA-N 1 0 278.272 -0.438 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001155577450 815297858 /nfs/dbraw/zinc/29/78/58/815297858.db2.gz UWEUPGALPWXVRI-KCJUWKMLSA-N 1 0 278.272 -0.438 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001155577452 815297955 /nfs/dbraw/zinc/29/79/55/815297955.db2.gz UWEUPGALPWXVRI-LDYMZIIASA-N 1 0 278.272 -0.438 20 5 CBBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(CC[NH3+])CCO)n1 ZINC001155953616 815325794 /nfs/dbraw/zinc/32/57/94/815325794.db2.gz MPBSYPHXTUSWNL-UHFFFAOYSA-N 1 0 298.303 -0.591 20 5 CBBDRO CN(c1cccc([N+](=O)[O-])n1)S(=O)(=O)CC[NH3+] ZINC001156231956 815347840 /nfs/dbraw/zinc/34/78/40/815347840.db2.gz RMEYXIJSRIDGPS-UHFFFAOYSA-N 1 0 260.275 -0.286 20 5 CBBDRO CN(c1ncc([N+](=O)[O-])cc1N)S(=O)(=O)CC[NH3+] ZINC001156237895 815349651 /nfs/dbraw/zinc/34/96/51/815349651.db2.gz CFGOXDCDOKZBNO-UHFFFAOYSA-N 1 0 275.290 -0.703 20 5 CBBDRO COc1cc(N(C)S(=O)(=O)CC[NH3+])ncc1[N+](=O)[O-] ZINC001156236829 815349751 /nfs/dbraw/zinc/34/97/51/815349751.db2.gz RNHYGTRIJXABRA-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO COC(=O)CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156344759 815355944 /nfs/dbraw/zinc/35/59/44/815355944.db2.gz LFCFJFKVBHZTFG-UHFFFAOYSA-N 1 0 267.245 -0.344 20 5 CBBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363648 810265083 /nfs/dbraw/zinc/26/50/83/810265083.db2.gz DXHSMKWTFNQGIO-ZYUZMQFOSA-N 1 0 257.290 -0.872 20 5 CBBDRO N=c1cc(C[NH3+])ccn1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156850081 815384818 /nfs/dbraw/zinc/38/48/18/815384818.db2.gz PZWNAGSGWSPZGS-UHFFFAOYSA-N 1 0 261.241 -0.043 20 5 CBBDRO Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001157767407 815462618 /nfs/dbraw/zinc/46/26/18/815462618.db2.gz LZPZCHDRXLWITP-NXEZZACHSA-N 1 0 282.304 -0.924 20 5 CBBDRO CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767788 815463127 /nfs/dbraw/zinc/46/31/27/815463127.db2.gz UORJZAIHRMRBSY-GHMZBOCLSA-N 1 0 296.331 -0.441 20 5 CBBDRO COc1cc(-n2nnnc2C[NH3+])ncc1[N+](=O)[O-] ZINC001158074634 815500641 /nfs/dbraw/zinc/50/06/41/815500641.db2.gz GLRKFBMHMISBNU-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO Cc1nc(CC[NH3+])nn1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001158130479 815506483 /nfs/dbraw/zinc/50/64/83/815506483.db2.gz DOPGXZPWAFHRCV-UHFFFAOYSA-N 1 0 263.261 -0.038 20 5 CBBDRO Cc1nc(-n2cncc2C[C@@H]([NH3+])CO)ncc1[N+](=O)[O-] ZINC001158209285 815514383 /nfs/dbraw/zinc/51/43/83/815514383.db2.gz OZEBWYDILFQLSU-MRVPVSSYSA-N 1 0 278.272 -0.259 20 5 CBBDRO NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530717 812198367 /nfs/dbraw/zinc/19/83/67/812198367.db2.gz NGQXGFFBDFOLEZ-NXEZZACHSA-N 1 0 298.343 -0.454 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(-n2cncc2C[C@@H]([NH3+])CO)n1 ZINC001158204666 815513848 /nfs/dbraw/zinc/51/38/48/815513848.db2.gz SXYVZTSUGRWPBP-MRVPVSSYSA-N 1 0 278.272 -0.259 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1nncc1C[NH3+] ZINC001158423689 815527899 /nfs/dbraw/zinc/52/78/99/815527899.db2.gz YBLNARGIQWGTEI-UHFFFAOYSA-N 1 0 250.218 -0.424 20 5 CBBDRO CO[C@H](C[NH3+])Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC001118102858 812470903 /nfs/dbraw/zinc/47/09/03/812470903.db2.gz LUJDJLXOOSUGBY-LURJTMIESA-N 1 0 282.260 -0.106 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH3+])C1 ZINC001118141220 812478308 /nfs/dbraw/zinc/47/83/08/812478308.db2.gz VBGCFTXDOLEITJ-SSDOTTSWSA-N 1 0 253.262 -0.251 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cc(F)c1=O)N1CC[NH2+]CC1 ZINC001118199367 812492169 /nfs/dbraw/zinc/49/21/69/812492169.db2.gz KPPUCVDZXIQYPE-UHFFFAOYSA-N 1 0 284.247 -0.673 20 5 CBBDRO C[NH2+][C@H](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001118260757 812510347 /nfs/dbraw/zinc/51/03/47/812510347.db2.gz HXQKIWGPYLEXOE-SECBINFHSA-N 1 0 282.300 -0.129 20 5 CBBDRO [NH3+]CCCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001118269912 812514397 /nfs/dbraw/zinc/51/43/97/812514397.db2.gz PJTOFEVTOFYOEG-UHFFFAOYSA-N 1 0 268.273 -0.388 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH3+])C2)n1 ZINC001118806862 812631876 /nfs/dbraw/zinc/63/18/76/812631876.db2.gz BXCNKWVMWGUPCJ-SSDOTTSWSA-N 1 0 289.317 -0.702 20 5 CBBDRO COc1ncnc(N2C[C@@H](OC)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001158705913 815543962 /nfs/dbraw/zinc/54/39/62/815543962.db2.gz YITDKEONVNVTAU-NKWVEPMBSA-N 1 0 269.261 -0.444 20 5 CBBDRO CO[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1[NH3+] ZINC001158711578 815544250 /nfs/dbraw/zinc/54/42/50/815544250.db2.gz UJRMPCWCLONTSO-IONNQARKSA-N 1 0 253.262 -0.266 20 5 CBBDRO Cc1nc(N2C[C@H]([NH3+])C3(COC3)C2)ncc1[N+](=O)[O-] ZINC001158769089 815547484 /nfs/dbraw/zinc/54/74/84/815547484.db2.gz MIHCEZMEWSMCOO-VIFPVBQESA-N 1 0 265.273 -0.143 20 5 CBBDRO COc1nc(NC[C@@H]2COCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001159034972 815556809 /nfs/dbraw/zinc/55/68/09/815556809.db2.gz CCPWWNUQMUSDCG-SSDOTTSWSA-N 1 0 269.261 -0.206 20 5 CBBDRO O=C(CNCC[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC001120503610 812976071 /nfs/dbraw/zinc/97/60/71/812976071.db2.gz VAGLJQDOTNBRES-UHFFFAOYSA-N 1 0 272.349 -0.155 20 5 CBBDRO CNC(=O)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126161635 813620372 /nfs/dbraw/zinc/62/03/72/813620372.db2.gz QLSJKSAKPIHREX-UHFFFAOYSA-N 1 0 294.311 -0.063 20 5 CBBDRO O=C(NCC[NH2+]CCOCC(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126949146 813696402 /nfs/dbraw/zinc/69/64/02/813696402.db2.gz NLXFAZDLIUUZBU-HTQZYQBOSA-N 1 0 299.249 -0.064 20 5 CBBDRO CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936492 813697635 /nfs/dbraw/zinc/69/76/35/813697635.db2.gz LLKOKPCKPFCUKG-NXEZZACHSA-N 1 0 296.331 -0.523 20 5 CBBDRO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC001126936876 813697853 /nfs/dbraw/zinc/69/78/53/813697853.db2.gz VNVVDGSGRWPZDM-GHMZBOCLSA-N 1 0 279.300 -0.344 20 5 CBBDRO C[NH+]1CCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001136076541 814551713 /nfs/dbraw/zinc/55/17/13/814551713.db2.gz OSEBMYWFHBHENG-UHFFFAOYSA-N 1 0 282.304 -0.705 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001138061747 814598326 /nfs/dbraw/zinc/59/83/26/814598326.db2.gz TYVGEXYCKLUVDO-ZDUSSCGKSA-N 1 0 294.311 -0.027 20 5 CBBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001141653619 814662864 /nfs/dbraw/zinc/66/28/64/814662864.db2.gz GAEQXLAERUHOGG-MRVPVSSYSA-N 1 0 283.288 -0.496 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001159676415 815586006 /nfs/dbraw/zinc/58/60/06/815586006.db2.gz GZUCPBDMSMQNRI-HTQZYQBOSA-N 1 0 253.262 -0.315 20 5 CBBDRO COc1cc(N[C@@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159678850 815586524 /nfs/dbraw/zinc/58/65/24/815586524.db2.gz RFUUCTDDCDZNSP-JGVFFNPUSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1cc(N[C@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159678859 815587101 /nfs/dbraw/zinc/58/71/01/815587101.db2.gz RFUUCTDDCDZNSP-YUMQZZPRSA-N 1 0 268.273 -0.009 20 5 CBBDRO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001147350941 814889679 /nfs/dbraw/zinc/88/96/79/814889679.db2.gz DQDCNLOLHVOGJJ-PSASIEDQSA-N 1 0 296.331 -0.318 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1ncc([N+](=O)[O-])cn1 ZINC001162124988 815803583 /nfs/dbraw/zinc/80/35/83/815803583.db2.gz SQFUAQVXRILKMQ-UHFFFAOYSA-N 1 0 261.263 -0.891 20 5 CBBDRO NC(=O)c1ccnc(-n2cnc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001162298243 815812116 /nfs/dbraw/zinc/81/21/16/815812116.db2.gz BPBRGOPDGGFLQA-UHFFFAOYSA-N 1 0 262.229 -0.267 20 5 CBBDRO [NH3+][C@H]1COC[C@H]1Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001162925173 815849044 /nfs/dbraw/zinc/84/90/44/815849044.db2.gz PXMYFWWHAHVFOZ-JGVFFNPUSA-N 1 0 264.245 -0.225 20 5 CBBDRO CC[C@@H](CO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163043535 815855019 /nfs/dbraw/zinc/85/50/19/815855019.db2.gz WRFNANJEONJNAQ-VIFPVBQESA-N 1 0 296.331 -0.023 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163152862 815862176 /nfs/dbraw/zinc/86/21/76/815862176.db2.gz BSHQGAGXEHRDNY-CABZTGNLSA-N 1 0 280.284 -0.124 20 5 CBBDRO O=[N+]([O-])c1nccnc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163192006 815863888 /nfs/dbraw/zinc/86/38/88/815863888.db2.gz XXSPBHZQGNJXHU-GMSGAONNSA-N 1 0 251.246 -0.072 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc([N+](=O)[O-])cn2)N1 ZINC001163240836 815871512 /nfs/dbraw/zinc/87/15/12/815871512.db2.gz WXWNIOXKCPKFRX-GZMMTYOYSA-N 1 0 263.257 -0.020 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cccnc2[N+](=O)[O-])N1 ZINC001163250655 815872719 /nfs/dbraw/zinc/87/27/19/815872719.db2.gz OYIMLXHBGZAYNZ-GZMMTYOYSA-N 1 0 263.257 -0.020 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163336743 815879336 /nfs/dbraw/zinc/87/93/36/815879336.db2.gz QZKZAYPOGHUBQT-UTLUCORTSA-N 1 0 293.283 -0.370 20 5 CBBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001163438524 815885653 /nfs/dbraw/zinc/88/56/53/815885653.db2.gz KLUGCJLEUISXTB-JTQLQIEISA-N 1 0 297.315 -0.116 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)n1 ZINC001304086500 816779031 /nfs/dbraw/zinc/77/90/31/816779031.db2.gz YFBKXQHQCITCET-MRVPVSSYSA-N 1 0 295.299 -0.469 20 5 CBBDRO CC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857864 816814545 /nfs/dbraw/zinc/81/45/45/816814545.db2.gz ZZTHNRAUZKEMRV-ZYHUDNBSSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001319965017 817261144 /nfs/dbraw/zinc/26/11/44/817261144.db2.gz XMXXGKURSCAXPX-SECBINFHSA-N 1 0 282.304 -0.404 20 5 CBBDRO [NH3+]CCN(CCO)c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001163827319 819853878 /nfs/dbraw/zinc/85/38/78/819853878.db2.gz FUVOJMIPASDBIO-UHFFFAOYSA-N 1 0 276.680 -0.361 20 5 CBBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N(CC[NH3+])CCO ZINC001163832553 819856390 /nfs/dbraw/zinc/85/63/90/819856390.db2.gz SPHVSUBTYDFJOC-UHFFFAOYSA-N 1 0 298.299 -0.158 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N(CC[NH3+])CCO ZINC001163832978 819856820 /nfs/dbraw/zinc/85/68/20/819856820.db2.gz ZTQTTXRMHCIBHA-UHFFFAOYSA-N 1 0 256.262 -0.244 20 5 CBBDRO CC(=O)CN(C)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164189218 819890711 /nfs/dbraw/zinc/89/07/11/819890711.db2.gz VAPFRBUUOOTOIV-UHFFFAOYSA-N 1 0 294.315 -0.180 20 5 CBBDRO CN(c1ncc([N+](=O)[O-])cn1)S(=O)(=O)CC[NH3+] ZINC001164288429 819900153 /nfs/dbraw/zinc/90/01/53/819900153.db2.gz OXQQZTOKALZZES-UHFFFAOYSA-N 1 0 261.263 -0.891 20 5 CBBDRO Cc1cnc(N2CCNC(=O)C23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001165298010 819951039 /nfs/dbraw/zinc/95/10/39/819951039.db2.gz ONMTVNMZHGEDER-UHFFFAOYSA-N 1 0 277.284 -0.424 20 5 CBBDRO Cc1cc([N+](=O)[O-])cnc1N1CCNC(=O)C12C[NH2+]C2 ZINC001165298599 819952758 /nfs/dbraw/zinc/95/27/58/819952758.db2.gz ZGCCEIGZHKYGCE-UHFFFAOYSA-N 1 0 277.284 -0.424 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1cccc([N+](=O)[O-])n1 ZINC001165436194 819961268 /nfs/dbraw/zinc/96/12/68/819961268.db2.gz IMFYHZYDKSSISE-MRVPVSSYSA-N 1 0 266.257 -0.059 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1cc(OC)c([N+](=O)[O-])cn1 ZINC001165439017 819963395 /nfs/dbraw/zinc/96/33/95/819963395.db2.gz NWXDGERQROYBGG-VIFPVBQESA-N 1 0 296.283 -0.050 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ncnc(OC)c1[N+](=O)[O-] ZINC001165438638 819964007 /nfs/dbraw/zinc/96/40/07/819964007.db2.gz JCDXZQSFXRQUAE-SSDOTTSWSA-N 1 0 297.271 -0.655 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ncc(OC)cc1[N+](=O)[O-] ZINC001165439223 819964057 /nfs/dbraw/zinc/96/40/57/819964057.db2.gz PBAKLKFMIQQSPZ-JTQLQIEISA-N 1 0 296.283 -0.050 20 5 CBBDRO NC(=O)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001165613300 819975891 /nfs/dbraw/zinc/97/58/91/819975891.db2.gz LTZJLOGVJJFIPL-UHFFFAOYSA-N 1 0 280.284 -0.324 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001166966910 820055626 /nfs/dbraw/zinc/05/56/26/820055626.db2.gz JFJJPOHFHSYLQL-SVRRBLITSA-N 1 0 281.272 -0.349 20 5 CBBDRO [NH3+][C@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C[C@H]1O ZINC001167092576 820070233 /nfs/dbraw/zinc/07/02/33/820070233.db2.gz MLZIFJHGWNTXFT-NKWVEPMBSA-N 1 0 274.664 -0.610 20 5 CBBDRO N=c1cc(C[NH3+])ccn1-c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001167682948 820110681 /nfs/dbraw/zinc/11/06/81/820110681.db2.gz AMQBNBYWBPTUED-UHFFFAOYSA-N 1 0 288.267 -0.182 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1nnc(CC[NH3+])n1 ZINC001167791121 820118819 /nfs/dbraw/zinc/11/88/19/820118819.db2.gz RZVGGNZWCRVAOZ-UHFFFAOYSA-N 1 0 292.255 -0.142 20 5 CBBDRO COc1nc(C)c(-n2nnc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001167790775 820119279 /nfs/dbraw/zinc/11/92/79/820119279.db2.gz LFLHNANBLDTGHU-UHFFFAOYSA-N 1 0 279.260 -0.216 20 5 CBBDRO COc1cnc(-n2nnc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001167791720 820120975 /nfs/dbraw/zinc/12/09/75/820120975.db2.gz RYRVSRMSMZWNGH-UHFFFAOYSA-N 1 0 265.233 -0.525 20 5 CBBDRO NC(=[NH2+])c1nccn1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001168411665 820160420 /nfs/dbraw/zinc/16/04/20/820160420.db2.gz JKTWNLCKLZPRTL-UHFFFAOYSA-N 1 0 266.192 -0.163 20 5 CBBDRO COc1cnc(-n2nnnc2C[NH3+])cc1[N+](=O)[O-] ZINC001168921145 820193465 /nfs/dbraw/zinc/19/34/65/820193465.db2.gz SHWBVYAHEKAEJS-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCN(CCO)CCO)C1 ZINC001168967639 820198095 /nfs/dbraw/zinc/19/80/95/820198095.db2.gz RQLDYAPRQNNKHM-QWHCGFSZSA-N 1 0 289.376 -0.302 20 5 CBBDRO CS(=O)(=O)N1CC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168970867 820198116 /nfs/dbraw/zinc/19/81/16/820198116.db2.gz JBAKZKPCNZCATL-IUCAKERBSA-N 1 0 277.346 -0.335 20 5 CBBDRO O=C1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C(=O)N1 ZINC001168975990 820198604 /nfs/dbraw/zinc/19/86/04/820198604.db2.gz YDMXYYUBJUGJAZ-CIUDSAMLSA-N 1 0 255.274 -0.173 20 5 CBBDRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979663 820199069 /nfs/dbraw/zinc/19/90/69/820199069.db2.gz ZICHFZIXPNSVQZ-NXEZZACHSA-N 1 0 279.362 -0.087 20 5 CBBDRO NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169008009 820200123 /nfs/dbraw/zinc/20/01/23/820200123.db2.gz QOQNUVUAJJZKHK-LSJOCFKGSA-N 1 0 281.316 -0.144 20 5 CBBDRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169001016 820200326 /nfs/dbraw/zinc/20/03/26/820200326.db2.gz CHPYFXYPZWTCPC-AATLWQCWSA-N 1 0 286.332 -0.600 20 5 CBBDRO O=C1CN(C2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CCN1 ZINC001169038463 820202117 /nfs/dbraw/zinc/20/21/17/820202117.db2.gz YXSICHFXURSKON-WDEREUQCSA-N 1 0 282.344 -0.452 20 5 CBBDRO O=C1COC[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035522 820202366 /nfs/dbraw/zinc/20/23/66/820202366.db2.gz BRRJJNIHAYTJDF-WOPDTQHZSA-N 1 0 283.328 -0.025 20 5 CBBDRO [NH3+][C@@H](CO)Cc1cncn1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001169072504 820205389 /nfs/dbraw/zinc/20/53/89/820205389.db2.gz UHUGXFHDYNOYRC-SSDOTTSWSA-N 1 0 297.246 -0.585 20 5 CBBDRO [NH3+]Cc1cnnn1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001169308408 820226177 /nfs/dbraw/zinc/22/61/77/820226177.db2.gz LTQVRXKDVAXRLO-UHFFFAOYSA-N 1 0 260.217 -0.095 20 5 CBBDRO NC(=O)c1nc(NC[C@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001170036269 820274828 /nfs/dbraw/zinc/27/48/28/820274828.db2.gz WXFFCRDBUCNPMK-ZETCQYMHSA-N 1 0 281.272 -0.511 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170773420 820316222 /nfs/dbraw/zinc/31/62/22/820316222.db2.gz GQKUBGGIBPHQRZ-RQJHMYQMSA-N 1 0 269.261 -0.614 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170774041 820317819 /nfs/dbraw/zinc/31/78/19/820317819.db2.gz KWHPYHQBKIRZGJ-XCBNKYQSSA-N 1 0 296.283 -0.231 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170775728 820319669 /nfs/dbraw/zinc/31/96/69/820319669.db2.gz YUHRPOREFNYJEA-MUWHJKNJSA-N 1 0 281.272 -0.919 20 5 CBBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)cn2cnnc12 ZINC001170783156 820324213 /nfs/dbraw/zinc/32/42/13/820324213.db2.gz QIVVTHOMKOACKV-VXNVDRBHSA-N 1 0 278.272 -0.370 20 5 CBBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@H]1C[NH2+]C[C@H]1CO ZINC001170788904 820324771 /nfs/dbraw/zinc/32/47/71/820324771.db2.gz LDWZZCBMDVBNQX-XVKPBYJWSA-N 1 0 292.295 -0.170 20 5 CBBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170790164 820326684 /nfs/dbraw/zinc/32/66/84/820326684.db2.gz USNVEUYGVNWIQV-XCBNKYQSSA-N 1 0 296.283 -0.231 20 5 CBBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170790062 820326889 /nfs/dbraw/zinc/32/68/89/820326889.db2.gz USNVEUYGVNWIQV-GMSGAONNSA-N 1 0 296.283 -0.231 20 5 CBBDRO CC[C@]([NH3+])(CO)Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170864890 820330839 /nfs/dbraw/zinc/33/08/39/820330839.db2.gz KBVINBWVZFKCIU-SNVBAGLBSA-N 1 0 256.262 -0.237 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1nccnc1[N+](=O)[O-] ZINC001170991678 820341622 /nfs/dbraw/zinc/34/16/22/820341622.db2.gz FTIZXGWOBMZJLE-UHFFFAOYSA-N 1 0 269.261 -0.287 20 5 CBBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001173218527 820400763 /nfs/dbraw/zinc/40/07/63/820400763.db2.gz BRZFVQJATBQUEB-KCJUWKMLSA-N 1 0 294.311 -0.155 20 5 CBBDRO CC1([NH2+]CCO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281490463 828419152 /nfs/dbraw/zinc/41/91/52/828419152.db2.gz YQIBHZDUUCTCCS-NXEZZACHSA-N 1 0 271.317 -0.385 20 5 CBBDRO NC(=O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC001196092551 824148015 /nfs/dbraw/zinc/14/80/15/824148015.db2.gz INAXHTUOIYMNLX-PHIMTYICSA-N 1 0 292.295 -0.387 20 5 CBBDRO CN(C)C(=O)CN1CCCN(CC[N+](=O)[O-])CC1 ZINC001197808677 824202950 /nfs/dbraw/zinc/20/29/50/824202950.db2.gz IUQGRUIQSSKECO-UHFFFAOYSA-N 1 0 258.322 -0.641 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC[C@H]1COCCO1 ZINC001210625726 824480693 /nfs/dbraw/zinc/48/06/93/824480693.db2.gz QFPDRDYNCVVWCD-GHMZBOCLSA-N 1 0 262.326 -0.598 20 5 CBBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CC[NH2+]C1 ZINC001218183197 824564656 /nfs/dbraw/zinc/56/46/56/824564656.db2.gz MSFGAJSDKXNIFD-QMMMGPOBSA-N 1 0 287.297 -0.017 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC[C@@H]1CCC(=O)N1 ZINC001222580165 825216811 /nfs/dbraw/zinc/21/68/11/825216811.db2.gz IXYMKMUABZBMMO-VHSXEESVSA-O 1 0 259.326 -0.735 20 5 CBBDRO CC(C)NC(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224466765 825241357 /nfs/dbraw/zinc/24/13/57/825241357.db2.gz RHGQIQAHXUWPBE-SNVBAGLBSA-O 1 0 261.342 -0.489 20 5 CBBDRO C[N+](C)(C)CCCO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-] ZINC001224622529 825244427 /nfs/dbraw/zinc/24/44/27/825244427.db2.gz HRSGIWPOVJEFTM-WRWGMCAJSA-N 1 0 291.324 -0.158 20 5 CBBDRO COC(C)(COC(=O)C[C@@H](O)C[N+](C)(C)C)OC ZINC001224680472 825245410 /nfs/dbraw/zinc/24/54/10/825245410.db2.gz OMYTYRAVUBTCFW-SNVBAGLBSA-N 1 0 264.342 -0.004 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc2ncnn21 ZINC001226603396 825283479 /nfs/dbraw/zinc/28/34/79/825283479.db2.gz FXCFTPLZWSRVRL-SECBINFHSA-N 1 0 280.308 -0.513 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1coc(CO)cc1=O ZINC001231281694 825402418 /nfs/dbraw/zinc/40/24/18/825402418.db2.gz RXSHMXCGQQPTKM-SECBINFHSA-N 1 0 286.304 -0.505 20 5 CBBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C(CO)(CO)CO)C2 ZINC001254580235 825967574 /nfs/dbraw/zinc/96/75/74/825967574.db2.gz BKWOSZWXRCPWTG-NSHDSACASA-N 1 0 282.296 -0.633 20 5 CBBDRO [NH3+][C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001261434726 826511374 /nfs/dbraw/zinc/51/13/74/826511374.db2.gz SYISRERRQNCZKA-SSDOTTSWSA-N 1 0 254.250 -0.864 20 5 CBBDRO Cn1cc(CN2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])n1 ZINC001262031925 826626225 /nfs/dbraw/zinc/62/62/25/826626225.db2.gz FVZJQDOZXZHEFO-UHFFFAOYSA-N 1 0 283.332 -0.125 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC([NH+](C)C)C1 ZINC001262337377 826677077 /nfs/dbraw/zinc/67/70/77/826677077.db2.gz LZELZGSYYGOOLU-UHFFFAOYSA-N 1 0 267.289 -0.128 20 5 CBBDRO CO[C@@]1(C[NH2+]CC[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001262492054 826695976 /nfs/dbraw/zinc/69/59/76/826695976.db2.gz XPALHSCVPQZODB-MRVPVSSYSA-N 1 0 252.292 -0.944 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001263216846 826755492 /nfs/dbraw/zinc/75/54/92/826755492.db2.gz ZUUPLHGNERYEJE-VHSXEESVSA-N 1 0 279.300 -0.141 20 5 CBBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001263832385 826783918 /nfs/dbraw/zinc/78/39/18/826783918.db2.gz PMKDDZCODFYTDM-LMLFDSFASA-N 1 0 271.317 -0.482 20 5 CBBDRO CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001271038749 827617423 /nfs/dbraw/zinc/61/74/23/827617423.db2.gz SFQGUHGQXLGKSJ-NXEZZACHSA-N 1 0 271.317 -0.074 20 5 CBBDRO [NH3+][C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@H]1F ZINC001350405627 890979563 /nfs/dbraw/zinc/97/95/63/890979563.db2.gz RSOIHOXRSCUXDD-RNFRBKRXSA-N 1 0 272.240 -0.916 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001326862890 885177224 /nfs/dbraw/zinc/17/72/24/885177224.db2.gz MLDWSTKYCCYBLM-SSDOTTSWSA-N 1 0 253.262 -0.108 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cn(CC[C@@H]2CC[NH2+]C2)c1=O ZINC001326052420 884890273 /nfs/dbraw/zinc/89/02/73/884890273.db2.gz QYSGSOCCOLVSSC-QMMMGPOBSA-N 1 0 280.284 -0.145 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001326093292 884903053 /nfs/dbraw/zinc/90/30/53/884903053.db2.gz QKICNAXLURRGKX-SSDOTTSWSA-N 1 0 269.261 -0.872 20 5 CBBDRO Cc1n[nH]c(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC001326170436 884934680 /nfs/dbraw/zinc/93/46/80/884934680.db2.gz VTQZQOWLWZEHEY-QMMMGPOBSA-N 1 0 283.288 -0.265 20 5 CBBDRO Cc1n[nH]c(C(=O)NC[C@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC001326170423 884935834 /nfs/dbraw/zinc/93/58/34/884935834.db2.gz VTQZQOWLWZEHEY-MRVPVSSYSA-N 1 0 283.288 -0.265 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001326451081 885030900 /nfs/dbraw/zinc/03/09/00/885030900.db2.gz LFYUXZZPTJHIKD-ZETCQYMHSA-N 1 0 269.261 -0.954 20 5 CBBDRO O=C(NCC1(NCc2cnon2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001326823798 885164718 /nfs/dbraw/zinc/16/47/18/885164718.db2.gz ZEVSWYROTFKQQE-NXEZZACHSA-N 1 0 295.299 -0.137 20 5 CBBDRO C[NH2+]CCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327546511 885402529 /nfs/dbraw/zinc/40/25/29/885402529.db2.gz VDDXCVVPBDOIDX-UHFFFAOYSA-N 1 0 292.295 -0.227 20 5 CBBDRO CN(CCC[NH3+])C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001327601217 885426728 /nfs/dbraw/zinc/42/67/28/885426728.db2.gz JHLKTMFQHVYYBI-UHFFFAOYSA-N 1 0 268.273 -0.436 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CC[NH2+]C2)c1=O ZINC001328181062 885592511 /nfs/dbraw/zinc/59/25/11/885592511.db2.gz GHKCINAYINWKOJ-SSDOTTSWSA-N 1 0 266.257 -0.535 20 5 CBBDRO C[NH+](C)CC1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001330852090 886595953 /nfs/dbraw/zinc/59/59/53/886595953.db2.gz ZTEAWMLEEZRYQE-UHFFFAOYSA-N 1 0 294.311 -0.224 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC001331470767 886813475 /nfs/dbraw/zinc/81/34/75/886813475.db2.gz TWUWDLKGZSHMDG-GFCCVEGCSA-N 1 0 299.331 -0.239 20 5 CBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331725834 886940226 /nfs/dbraw/zinc/94/02/26/886940226.db2.gz PSEWALJWJYIZOT-AOOOYVTPSA-N 1 0 292.295 -0.281 20 5 CBBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[NH2+]C1 ZINC001333274051 887578400 /nfs/dbraw/zinc/57/84/00/887578400.db2.gz XHRXRGYDZWTQNU-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCOC3(C[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001333671916 887739406 /nfs/dbraw/zinc/73/94/06/887739406.db2.gz QLWKMBHJHPDRKD-UHFFFAOYSA-N 1 0 295.299 -0.549 20 5 CBBDRO Cn1cncc1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001339924256 889346549 /nfs/dbraw/zinc/34/65/49/889346549.db2.gz HIDVPSODSOHVCU-UHFFFAOYSA-N 1 0 277.240 -0.363 20 5 CBBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001340491449 889440023 /nfs/dbraw/zinc/44/00/23/889440023.db2.gz MJBZFDWXRSQKNA-SNVBAGLBSA-N 1 0 282.300 -0.006 20 5 CBBDRO C[NH+]1CCN(C2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC001344028384 889993614 /nfs/dbraw/zinc/99/36/14/889993614.db2.gz UKOUYAULGOIMNF-UHFFFAOYSA-N 1 0 294.315 -0.610 20 5 CBBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001348509963 890638039 /nfs/dbraw/zinc/63/80/39/890638039.db2.gz BKXQWWGEMZUJKX-UHFFFAOYSA-N 1 0 297.315 -0.106 20 5 CBBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001350332310 890963862 /nfs/dbraw/zinc/96/38/62/890963862.db2.gz ROXZPOBIGYQODI-VIFPVBQESA-N 1 0 294.311 -0.065 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001456295923 914457944 /nfs/dbraw/zinc/45/79/44/914457944.db2.gz KAUPIJAQAFVHFJ-SECBINFHSA-N 1 0 295.299 -0.619 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001464790695 915010246 /nfs/dbraw/zinc/01/02/46/915010246.db2.gz LHBWOIUOCLITNQ-UHFFFAOYSA-N 1 0 299.331 -0.206 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+]2CCCC2)n1 ZINC001468606152 915314009 /nfs/dbraw/zinc/31/40/09/915314009.db2.gz OYXPCARHQKRFNO-VIFPVBQESA-N 1 0 297.315 -0.485 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001471373206 915581953 /nfs/dbraw/zinc/58/19/53/915581953.db2.gz JFOSFRDBSQPROA-NSHDSACASA-N 1 0 283.288 -0.544 20 5 CBBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479367686 916123668 /nfs/dbraw/zinc/12/36/68/916123668.db2.gz PMKDDZCODFYTDM-GWOFURMSSA-N 1 0 271.317 -0.482 20 5 CBBDRO CCOCC(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001493464656 919555694 /nfs/dbraw/zinc/55/56/94/919555694.db2.gz KFMOUDBRWPTVMM-UHFFFAOYSA-N 1 0 299.331 -0.087 20 5 CBBDRO COCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496698142 920114486 /nfs/dbraw/zinc/11/44/86/920114486.db2.gz JTGSQWVMZLBJFY-NXEZZACHSA-N 1 0 259.306 -0.312 20 5 CBBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001557749169 924136558 /nfs/dbraw/zinc/13/65/58/924136558.db2.gz NSTZHEWNWQJOHF-UHFFFAOYSA-N 1 0 297.315 -0.153 20 5 CBBDRO C[N@H+](CCOCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000337418851 214069140 /nfs/dbraw/zinc/06/91/40/214069140.db2.gz AIIZYROZXXXWDL-UHFFFAOYSA-N 1 0 285.300 -0.303 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290174821 197620929 /nfs/dbraw/zinc/62/09/29/197620929.db2.gz PDAGJSKNLJJDAW-ZJUUUORDSA-N 1 0 279.300 -0.141 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000351829761 219218868 /nfs/dbraw/zinc/21/88/68/219218868.db2.gz OUCPNSDKJRVRLX-RKDXNWHRSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000351829395 219218084 /nfs/dbraw/zinc/21/80/84/219218084.db2.gz BDSDGIPHAGDOFA-DTWKUNHWSA-N 1 0 267.289 -0.013 20 5 CBBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000339625930 215275408 /nfs/dbraw/zinc/27/54/08/215275408.db2.gz GDUIZOIPEKVSIF-ONGXEEELSA-N 1 0 272.305 -0.145 20 5 CBBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000339625928 215276759 /nfs/dbraw/zinc/27/67/59/215276759.db2.gz GDUIZOIPEKVSIF-GXSJLCMTSA-N 1 0 272.305 -0.145 20 5 CBBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N(C)C ZINC000049098046 282665468 /nfs/dbraw/zinc/66/54/68/282665468.db2.gz XFIBXYMKNIVVIT-PSASIEDQSA-N 1 0 285.304 -0.782 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000044721353 351445721 /nfs/dbraw/zinc/44/57/21/351445721.db2.gz DQZBFELZIMSSQJ-GXFFZTMASA-N 1 0 295.343 -0.022 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000044721347 351445757 /nfs/dbraw/zinc/44/57/57/351445757.db2.gz DQZBFELZIMSSQJ-ZWNOBZJWSA-N 1 0 295.343 -0.022 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081035493 351702881 /nfs/dbraw/zinc/70/28/81/351702881.db2.gz UDBMVQSVNDNUIZ-NEPJUHHUSA-N 1 0 283.328 -0.025 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(CO)CC2)c1 ZINC000075626589 351668970 /nfs/dbraw/zinc/66/89/70/351668970.db2.gz XQLYWIJFYHDBOG-LBPRGKRZSA-N 1 0 284.316 -0.144 20 5 CBBDRO CCNC(=O)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075642595 351670242 /nfs/dbraw/zinc/67/02/42/351670242.db2.gz ILWUCBVTSOWPLN-SNVBAGLBSA-N 1 0 285.304 -0.780 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000075746096 351671223 /nfs/dbraw/zinc/67/12/23/351671223.db2.gz GCXZQCZBCAFYFG-JTQLQIEISA-N 1 0 272.305 -0.145 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359310417 282773673 /nfs/dbraw/zinc/77/36/73/282773673.db2.gz SBBYTNHPRQIGPH-RKDXNWHRSA-N 1 0 251.290 -0.021 20 5 CBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)CO)cc1 ZINC000095082618 351767777 /nfs/dbraw/zinc/76/77/77/351767777.db2.gz DOASXPUDFCLNMD-MNOVXSKESA-N 1 0 256.258 -0.429 20 5 CBBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000122819702 187053561 /nfs/dbraw/zinc/05/35/61/187053561.db2.gz LAEZHRPDADSDDP-UHFFFAOYSA-N 1 0 253.262 -0.137 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCn2ccnn2)c1 ZINC000126920366 351862199 /nfs/dbraw/zinc/86/21/99/351862199.db2.gz DSAJHTPLMUNCQA-NSHDSACASA-N 1 0 295.303 -0.576 20 5 CBBDRO C[NH2+][C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000134202596 351904728 /nfs/dbraw/zinc/90/47/28/351904728.db2.gz UZFSHWNICVLDPK-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO CCC[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134409364 351905524 /nfs/dbraw/zinc/90/55/24/351905524.db2.gz ZJAQLZIMRZKXND-WDEREUQCSA-N 1 0 272.305 -0.097 20 5 CBBDRO O=C(NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000135432729 351915073 /nfs/dbraw/zinc/91/50/73/351915073.db2.gz FJZHCEQDXWVCPU-LLVKDONJSA-N 1 0 297.315 -0.732 20 5 CBBDRO CN(CC[NH+](C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000162119593 351977434 /nfs/dbraw/zinc/97/74/34/351977434.db2.gz QOADZFQESKCGBR-UHFFFAOYSA-N 1 0 284.320 -0.006 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000163128944 351980889 /nfs/dbraw/zinc/98/08/89/351980889.db2.gz UNQIJNMDZUKLOD-ONGXEEELSA-N 1 0 297.315 -0.244 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000163129154 351980957 /nfs/dbraw/zinc/98/09/57/351980957.db2.gz UNQIJNMDZUKLOD-GXSJLCMTSA-N 1 0 297.315 -0.244 20 5 CBBDRO Cn1c(C(=O)N2CCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000165595984 351985929 /nfs/dbraw/zinc/98/59/29/351985929.db2.gz JRNHUILCBARUEV-QMMMGPOBSA-N 1 0 268.273 -0.267 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000186531010 352127643 /nfs/dbraw/zinc/12/76/43/352127643.db2.gz HYFHKAKOLMQRPL-WPRPVWTQSA-N 1 0 256.262 -0.781 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186542236 352128884 /nfs/dbraw/zinc/12/88/84/352128884.db2.gz LJWMXKDUIBZBJP-IUCAKERBSA-N 1 0 256.262 -0.781 20 5 CBBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000186761209 352131011 /nfs/dbraw/zinc/13/10/11/352131011.db2.gz WRQPJKCGNZPVNQ-MWLCHTKSSA-N 1 0 294.311 -0.129 20 5 CBBDRO [NH3+][C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000179571550 352092347 /nfs/dbraw/zinc/09/23/47/352092347.db2.gz HWPWIENAHLOGCD-VIFPVBQESA-N 1 0 253.262 -0.355 20 5 CBBDRO C[C@H](O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000189363237 352167988 /nfs/dbraw/zinc/16/79/88/352167988.db2.gz JNDKXCGIXZOKQX-NSHDSACASA-N 1 0 283.332 -0.210 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000190906725 352185405 /nfs/dbraw/zinc/18/54/05/352185405.db2.gz JUQJNGNJBWVYKM-JFGNBEQYSA-N 1 0 284.316 -0.288 20 5 CBBDRO CN1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000191135620 352186790 /nfs/dbraw/zinc/18/67/90/352186790.db2.gz OQJLGTCVVZHCMG-LLVKDONJSA-N 1 0 297.315 -0.684 20 5 CBBDRO Cn1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000227227833 352256581 /nfs/dbraw/zinc/25/65/81/352256581.db2.gz POVWJVFOKXVPBO-LBPRGKRZSA-N 1 0 294.315 -0.282 20 5 CBBDRO C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230723970 352274104 /nfs/dbraw/zinc/27/41/04/352274104.db2.gz UWTNDQUOFQDBBQ-UHFFFAOYSA-N 1 0 297.315 -0.120 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000236080621 352288780 /nfs/dbraw/zinc/28/87/80/352288780.db2.gz JNWCYMVTVVJKPC-QMMMGPOBSA-N 1 0 268.273 -0.349 20 5 CBBDRO COc1cc(S(=O)(=O)NC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237228903 352302577 /nfs/dbraw/zinc/30/25/77/352302577.db2.gz OJMKBXQFULTKRW-UHFFFAOYSA-N 1 0 287.297 -0.147 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[NH2+]1 ZINC000237614636 352308046 /nfs/dbraw/zinc/30/80/46/352308046.db2.gz AIEGGXKRUFRSLY-VIFPVBQESA-N 1 0 280.284 -0.423 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCC[NH2+]C1 ZINC000238143778 352314723 /nfs/dbraw/zinc/31/47/23/352314723.db2.gz NOLYCPQVBJBOMK-SECBINFHSA-N 1 0 267.289 -0.093 20 5 CBBDRO C[C@@H](O)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247525540 352347324 /nfs/dbraw/zinc/34/73/24/352347324.db2.gz NTJYTNGCEUJWMW-PSASIEDQSA-N 1 0 258.278 -0.535 20 5 CBBDRO C[NH2+][C@@H](C)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000261739984 352395067 /nfs/dbraw/zinc/39/50/67/352395067.db2.gz MJRDITHTZNPBQK-QMMMGPOBSA-N 1 0 255.278 -0.095 20 5 CBBDRO CC[NH2+][C@H](C)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000262474601 352423278 /nfs/dbraw/zinc/42/32/78/352423278.db2.gz PUINILXIZWCANU-MRVPVSSYSA-N 1 0 255.278 -0.095 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262051359 352405084 /nfs/dbraw/zinc/40/50/84/352405084.db2.gz MOJFMIJUBDDAMY-SECBINFHSA-N 1 0 294.315 -0.562 20 5 CBBDRO C[C@@H](CO)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000282804666 352611195 /nfs/dbraw/zinc/61/11/95/352611195.db2.gz OUMRRMWTKFTDOE-WPRPVWTQSA-N 1 0 258.278 -0.535 20 5 CBBDRO C[C@@H](CO)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000282804663 352611737 /nfs/dbraw/zinc/61/17/37/352611737.db2.gz OUMRRMWTKFTDOE-WCBMZHEXSA-N 1 0 258.278 -0.535 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278659515 352580865 /nfs/dbraw/zinc/58/08/65/352580865.db2.gz HTICRBQHTSHOIZ-USWWRNFRSA-N 1 0 298.295 -0.628 20 5 CBBDRO COC[C@H]1CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516159 352693431 /nfs/dbraw/zinc/69/34/31/352693431.db2.gz IJIWMWSMMXDVDX-KOLCDFICSA-N 1 0 270.289 -0.127 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000300698899 352734450 /nfs/dbraw/zinc/73/44/50/352734450.db2.gz PKTZYNWMZWIIKH-ZMLRMANQSA-N 1 0 284.316 -0.097 20 5 CBBDRO CC1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1CCO ZINC000302530364 352741343 /nfs/dbraw/zinc/74/13/43/352741343.db2.gz LFNVMDXHHMGBLI-UHFFFAOYSA-N 1 0 296.331 -0.140 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000304380526 352746352 /nfs/dbraw/zinc/74/63/52/352746352.db2.gz YFEHPDRWCVORFL-JQWIXIFHSA-N 1 0 284.316 -0.144 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 ZINC000292270525 198225522 /nfs/dbraw/zinc/22/55/22/198225522.db2.gz ZPAZPEYWTHOYGT-NSHDSACASA-N 1 0 284.316 -0.001 20 5 CBBDRO NC(=O)C1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000152437757 188018845 /nfs/dbraw/zinc/01/88/45/188018845.db2.gz CYTLQWFGEZXSHK-JTQLQIEISA-N 1 0 295.295 -0.058 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153451983 188083389 /nfs/dbraw/zinc/08/33/89/188083389.db2.gz VTYKAMIYNDTRGW-LBPRGKRZSA-N 1 0 299.331 -0.390 20 5 CBBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973313 353195587 /nfs/dbraw/zinc/19/55/87/353195587.db2.gz PKHWYFCBFFOZFG-IEBDPFPHSA-N 1 0 270.289 -0.393 20 5 CBBDRO C[C@@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000342762060 353231701 /nfs/dbraw/zinc/23/17/01/353231701.db2.gz UUKYQEYAPHGPPM-LLVKDONJSA-N 1 0 282.304 -0.308 20 5 CBBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@H]21 ZINC000342763782 353232169 /nfs/dbraw/zinc/23/21/69/353232169.db2.gz YVOSJJLIJYIDJQ-OPRDCNLKSA-N 1 0 294.315 -0.228 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343641654 353283028 /nfs/dbraw/zinc/28/30/28/353283028.db2.gz OGKRMVXMQDJLPY-LBPRGKRZSA-N 1 0 294.315 -0.212 20 5 CBBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261691224 137697008 /nfs/dbraw/zinc/69/70/08/137697008.db2.gz INVLLAOXZOCQJC-DTWKUNHWSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1COC[C@@H]1O ZINC000352801306 353506633 /nfs/dbraw/zinc/50/66/33/353506633.db2.gz JVAKOYWVQAIGFC-QWRGUYRKSA-N 1 0 283.284 -0.552 20 5 CBBDRO CCn1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000353220702 353529262 /nfs/dbraw/zinc/52/92/62/353529262.db2.gz VRFOOJHMXWOBMH-SSDOTTSWSA-N 1 0 289.317 -0.467 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000358043427 353621034 /nfs/dbraw/zinc/62/10/34/353621034.db2.gz HOEPZCGMFVLZGN-LBPRGKRZSA-N 1 0 297.315 -0.636 20 5 CBBDRO CCc1n[nH]c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358428515 353643601 /nfs/dbraw/zinc/64/36/01/353643601.db2.gz WRLBPSWOQCUIKK-GFCCVEGCSA-N 1 0 297.315 -0.323 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(CO)CCOCC2)n1 ZINC000357940435 353616164 /nfs/dbraw/zinc/61/61/64/353616164.db2.gz FZJWDZPBSAOUPS-UHFFFAOYSA-N 1 0 270.289 -0.078 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376122132 353772117 /nfs/dbraw/zinc/77/21/17/353772117.db2.gz FHLQFYDFCPKAMS-GMTAPVOTSA-N 1 0 268.317 -0.842 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000408024335 353827679 /nfs/dbraw/zinc/82/76/79/353827679.db2.gz ZNJUEUZCCFNAQT-SNVBAGLBSA-N 1 0 294.315 -0.117 20 5 CBBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000408145360 353858090 /nfs/dbraw/zinc/85/80/90/353858090.db2.gz RSWQYSBIWCNDFB-ZJUUUORDSA-N 1 0 294.315 -0.261 20 5 CBBDRO C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000417908888 353985978 /nfs/dbraw/zinc/98/59/78/353985978.db2.gz JCXNBYBHJOUPFS-VIFPVBQESA-N 1 0 282.304 -0.205 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447921120 354308971 /nfs/dbraw/zinc/30/89/71/354308971.db2.gz JLQSDNVIMBPPGB-VXGBXAGGSA-N 1 0 297.311 -0.114 20 5 CBBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452349306 354349182 /nfs/dbraw/zinc/34/91/82/354349182.db2.gz BLVGFSPULJCFTI-VIFPVBQESA-N 1 0 297.315 -0.106 20 5 CBBDRO C[N@H+](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000479135285 354407400 /nfs/dbraw/zinc/40/74/00/354407400.db2.gz VZEMQZZFTGMAKN-UHFFFAOYSA-N 1 0 268.277 -0.603 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495112704 354498128 /nfs/dbraw/zinc/49/81/28/354498128.db2.gz SLIDTJBEVLVWQU-VROVMSAKSA-N 1 0 265.273 -0.566 20 5 CBBDRO CN1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000519596162 354563580 /nfs/dbraw/zinc/56/35/80/354563580.db2.gz KIBXWNZSBZUUKB-QWRGUYRKSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1O ZINC000565194899 354731195 /nfs/dbraw/zinc/73/11/95/354731195.db2.gz IPDYHCHHYMVEQD-YUMQZZPRSA-N 1 0 269.261 -0.935 20 5 CBBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000564797954 354717330 /nfs/dbraw/zinc/71/73/30/354717330.db2.gz XBYVXMLBXCZKOT-SSDOTTSWSA-N 1 0 253.262 -0.238 20 5 CBBDRO CC(C)(C[NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000566101350 354752835 /nfs/dbraw/zinc/75/28/35/354752835.db2.gz KGWZZTFVAKJTFT-UHFFFAOYSA-N 1 0 255.278 -0.108 20 5 CBBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000568867245 354834276 /nfs/dbraw/zinc/83/42/76/354834276.db2.gz PEFVXVZPBSYTPX-SFYZADRCSA-N 1 0 268.273 -0.392 20 5 CBBDRO CO[C@@H](C[NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000568393332 354823569 /nfs/dbraw/zinc/82/35/69/354823569.db2.gz SVOAPLAXLCRSLM-NSHDSACASA-N 1 0 280.284 -0.152 20 5 CBBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000570515231 354864057 /nfs/dbraw/zinc/86/40/57/354864057.db2.gz JWJAFOTWYFTTGC-MRVPVSSYSA-N 1 0 280.284 -0.023 20 5 CBBDRO [NH3+][C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000570569289 354865179 /nfs/dbraw/zinc/86/51/79/354865179.db2.gz MPOXTXZITHQGRA-ZETCQYMHSA-N 1 0 272.286 -0.289 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000574037255 354926975 /nfs/dbraw/zinc/92/69/75/354926975.db2.gz JSAVBXOPMYYDJF-CMPLNLGQSA-N 1 0 279.300 -0.093 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000578466858 354946321 /nfs/dbraw/zinc/94/63/21/354946321.db2.gz UTZNJPLECJCDRB-ZJUUUORDSA-N 1 0 270.289 -0.534 20 5 CBBDRO C[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)S(C)(=O)=O ZINC000578619176 354949796 /nfs/dbraw/zinc/94/97/96/354949796.db2.gz DBBKHRNPKBIRQR-QMMMGPOBSA-N 1 0 276.318 -0.186 20 5 CBBDRO [NH3+][C@H]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])CCN2C1=O ZINC000578787361 354955216 /nfs/dbraw/zinc/95/52/16/354955216.db2.gz MHXXJTGEGNADMQ-BDAKNGLRSA-N 1 0 277.284 -0.262 20 5 CBBDRO Cc1cc(C(=O)NCC(=O)NCC[NH3+])ccc1[N+](=O)[O-] ZINC000581010800 355003357 /nfs/dbraw/zinc/00/33/57/355003357.db2.gz ZKTSCLRYYKMODC-UHFFFAOYSA-N 1 0 280.284 -0.292 20 5 CBBDRO CN1C[C@H]2[C@@H](CC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590010463 355072583 /nfs/dbraw/zinc/07/25/83/355072583.db2.gz IUZBDAOGKHMKIG-UHTWSYAYSA-N 1 0 295.343 -0.212 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590369826 355075982 /nfs/dbraw/zinc/07/59/82/355075982.db2.gz OMYGQKNMYHAQPE-QMMMGPOBSA-N 1 0 284.272 -0.652 20 5 CBBDRO Cn1c(C(=O)N[C@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000590369430 355076066 /nfs/dbraw/zinc/07/60/66/355076066.db2.gz GHODHUCSHZUOOP-QMMMGPOBSA-N 1 0 270.289 -0.414 20 5 CBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000591684178 355107866 /nfs/dbraw/zinc/10/78/66/355107866.db2.gz CDYMBOVICPTXIH-JTQLQIEISA-N 1 0 296.331 -0.799 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195156 355138856 /nfs/dbraw/zinc/13/88/56/355138856.db2.gz JKKBIOBMKWRSQW-MWLCHTKSSA-N 1 0 298.299 -0.353 20 5 CBBDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195158 355139287 /nfs/dbraw/zinc/13/92/87/355139287.db2.gz JKKBIOBMKWRSQW-ONGXEEELSA-N 1 0 298.299 -0.353 20 5 CBBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198822 355140260 /nfs/dbraw/zinc/14/02/60/355140260.db2.gz OYKQFOSXJUGEKQ-ZJUUUORDSA-N 1 0 298.299 -0.353 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[NH2+]CCOC)n1 ZINC000592318139 355147217 /nfs/dbraw/zinc/14/72/17/355147217.db2.gz UXEDDMASZHNZCK-UHFFFAOYSA-N 1 0 285.304 -0.223 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)CO ZINC000592430494 355153095 /nfs/dbraw/zinc/15/30/95/355153095.db2.gz UVOYBECDTVDNPI-NXEZZACHSA-N 1 0 286.284 -0.723 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000592477269 355156599 /nfs/dbraw/zinc/15/65/99/355156599.db2.gz UMGZFCBSQWJBSI-RKDXNWHRSA-N 1 0 283.288 -0.634 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000592985012 355188620 /nfs/dbraw/zinc/18/86/20/355188620.db2.gz ZXYQPJFOASHJDQ-GXSJLCMTSA-N 1 0 269.305 -0.161 20 5 CBBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593065746 355191603 /nfs/dbraw/zinc/19/16/03/355191603.db2.gz AXGGBUSAARXHSC-VXGBXAGGSA-N 1 0 297.311 -0.162 20 5 CBBDRO CN(CC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595109776 355271584 /nfs/dbraw/zinc/27/15/84/355271584.db2.gz OXRWEWKQVFKGBT-UHFFFAOYSA-N 1 0 260.275 -0.431 20 5 CBBDRO [NH3+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595109651 355271664 /nfs/dbraw/zinc/27/16/64/355271664.db2.gz CCPWDJMXIHQUKK-UHFFFAOYSA-N 1 0 260.275 -0.383 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2C[NH2+]CCO2)c1=O ZINC000594698017 355258232 /nfs/dbraw/zinc/25/82/32/355258232.db2.gz HRKCUCYYJXNSCS-VIFPVBQESA-N 1 0 297.267 -0.469 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595566996 355296334 /nfs/dbraw/zinc/29/63/34/355296334.db2.gz QKCBVIVSWSCGMG-UHFFFAOYSA-N 1 0 296.331 -0.006 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)C2CCC2)c1 ZINC000595617947 355298107 /nfs/dbraw/zinc/29/81/07/355298107.db2.gz VRSYTGVUNIILKH-NWDGAFQWSA-N 1 0 284.316 -0.097 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595757617 355305778 /nfs/dbraw/zinc/30/57/78/355305778.db2.gz NZVOCDSYWWRSQB-MVWJERBFSA-N 1 0 282.300 -0.391 20 5 CBBDRO [NH3+]CCN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H](O)CO ZINC000595903524 355316465 /nfs/dbraw/zinc/31/64/65/355316465.db2.gz XJVCOKYWLKTDNZ-VIFPVBQESA-N 1 0 287.291 -0.152 20 5 CBBDRO [NH3+]CCN(CCOc1ccccc1[N+](=O)[O-])C[C@H](O)CO ZINC000595903716 355316483 /nfs/dbraw/zinc/31/64/83/355316483.db2.gz ZYJYNWLCPUODQV-NSHDSACASA-N 1 0 299.327 -0.413 20 5 CBBDRO [NH3+]CCN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000595903522 355316924 /nfs/dbraw/zinc/31/69/24/355316924.db2.gz XJVCOKYWLKTDNZ-SECBINFHSA-N 1 0 287.291 -0.152 20 5 CBBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1(O)C[NH2+]C1 ZINC000595923718 355318611 /nfs/dbraw/zinc/31/86/11/355318611.db2.gz ZGODQNFYMAFHPF-UHFFFAOYSA-N 1 0 280.284 -0.543 20 5 CBBDRO CC[C@H]([NH2+]C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595925616 355319053 /nfs/dbraw/zinc/31/90/53/355319053.db2.gz ADLBFJGQMHMIOA-VIFPVBQESA-N 1 0 255.278 -0.095 20 5 CBBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cc([N+](=O)[O-])n[nH]1 ZINC000595949837 355325975 /nfs/dbraw/zinc/32/59/75/355325975.db2.gz ZVVQFSHFNIHPAR-UHFFFAOYSA-N 1 0 251.246 -0.200 20 5 CBBDRO Nc1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc1[N+](=O)[O-] ZINC000596013649 355338487 /nfs/dbraw/zinc/33/84/87/355338487.db2.gz ITVYQHDBMIGKBY-APPZFPTMSA-N 1 0 292.299 -0.680 20 5 CBBDRO CCc1n[nH]c(C(=O)N[C@@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000597654993 355403560 /nfs/dbraw/zinc/40/35/60/355403560.db2.gz XBVNWBCWAIMDIJ-SSDOTTSWSA-N 1 0 285.304 -0.467 20 5 CBBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000597989647 355425720 /nfs/dbraw/zinc/42/57/20/355425720.db2.gz HMDSFPNAWKMEBH-UHFFFAOYSA-N 1 0 298.347 -0.069 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000598161297 355433592 /nfs/dbraw/zinc/43/35/92/355433592.db2.gz QERTVYSISISIOX-UHFFFAOYSA-N 1 0 253.262 -0.049 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)n1 ZINC000599095981 355463643 /nfs/dbraw/zinc/46/36/43/355463643.db2.gz JWMMTHAJJPEYLC-SSDOTTSWSA-N 1 0 289.317 -0.641 20 5 CBBDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599105420 355464336 /nfs/dbraw/zinc/46/43/36/355464336.db2.gz CIKNWYGEQGSNTG-PHDIDXHHSA-N 1 0 277.306 -0.658 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)n1 ZINC000599100505 355464455 /nfs/dbraw/zinc/46/44/55/355464455.db2.gz JFSOUURJTPLOQU-SSDOTTSWSA-N 1 0 289.317 -0.656 20 5 CBBDRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599111612 355465388 /nfs/dbraw/zinc/46/53/88/355465388.db2.gz LCNDKCOJNQTGKO-NKWVEPMBSA-N 1 0 289.317 -0.643 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599176386 355470101 /nfs/dbraw/zinc/47/01/01/355470101.db2.gz SIINGAOTSNATMO-MRVPVSSYSA-N 1 0 255.278 -0.193 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCN(C)C2)n1 ZINC000599218257 355473369 /nfs/dbraw/zinc/47/33/69/355473369.db2.gz OJZCCKATQLTVRM-ZETCQYMHSA-N 1 0 289.317 -0.689 20 5 CBBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599306824 355478513 /nfs/dbraw/zinc/47/85/13/355478513.db2.gz LMXSJYWBPWDOOA-ZETCQYMHSA-N 1 0 291.333 -0.443 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599940243 355519979 /nfs/dbraw/zinc/51/99/79/355519979.db2.gz NDZACYUSOMZZIC-BDAKNGLRSA-N 1 0 295.299 -0.401 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599940245 355520083 /nfs/dbraw/zinc/52/00/83/355520083.db2.gz NDZACYUSOMZZIC-IUCAKERBSA-N 1 0 295.299 -0.401 20 5 CBBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600809269 355566636 /nfs/dbraw/zinc/56/66/36/355566636.db2.gz XXJRRXHFNDSYHZ-VIFPVBQESA-N 1 0 294.311 -0.027 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600838564 355569006 /nfs/dbraw/zinc/56/90/06/355569006.db2.gz RLCLXVUBFZJQHE-VIFPVBQESA-N 1 0 296.283 -0.508 20 5 CBBDRO Cn1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602495843 355654043 /nfs/dbraw/zinc/65/40/43/355654043.db2.gz XXTQEJHTVVXWOV-DTORHVGOSA-N 1 0 251.290 -0.021 20 5 CBBDRO C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000602625584 355665599 /nfs/dbraw/zinc/66/55/99/355665599.db2.gz TXEOQUOFCOXKHH-JTQLQIEISA-N 1 0 283.332 -0.173 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603086606 355695701 /nfs/dbraw/zinc/69/57/01/355695701.db2.gz LTNZHBNIFDUZSD-CABZTGNLSA-N 1 0 265.269 -0.177 20 5 CBBDRO CN(CCOCC[NH3+])Cc1cn(C)nc1[N+](=O)[O-] ZINC000603428565 355715073 /nfs/dbraw/zinc/71/50/73/355715073.db2.gz JIXGURDNLJOBRX-UHFFFAOYSA-N 1 0 257.294 -0.265 20 5 CBBDRO CC[N@@H+](CC(=O)N(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610367556 355777687 /nfs/dbraw/zinc/77/76/87/355777687.db2.gz XTZDWGPYJNRLSP-NSHDSACASA-N 1 0 299.331 -0.438 20 5 CBBDRO CC[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000341797412 216108001 /nfs/dbraw/zinc/10/80/01/216108001.db2.gz KVNYFOULJOQQAZ-SECBINFHSA-N 1 0 282.304 -0.261 20 5 CBBDRO C[C@@]1(O)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178013463 189085518 /nfs/dbraw/zinc/08/55/18/189085518.db2.gz JSRDGCSYONGVEG-WDEREUQCSA-N 1 0 270.289 -0.391 20 5 CBBDRO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000179069394 189166206 /nfs/dbraw/zinc/16/62/06/189166206.db2.gz XOSMUAYPKKKCSA-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]1 ZINC000182619923 189329141 /nfs/dbraw/zinc/32/91/41/189329141.db2.gz ALJJHJSANMHBBO-SECBINFHSA-N 1 0 253.262 -0.341 20 5 CBBDRO C[NH+](C)CCOCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000537542533 283670483 /nfs/dbraw/zinc/67/04/83/283670483.db2.gz FJISSLDOKDQXGK-UHFFFAOYSA-N 1 0 299.331 -0.124 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372589481 296065603 /nfs/dbraw/zinc/06/56/03/296065603.db2.gz UHYLEGFYOBBUKV-RHYQMDGZSA-N 1 0 283.328 -0.291 20 5 CBBDRO COc1ccc(NC(=O)C[NH2+]C(CO)CO)c([N+](=O)[O-])c1 ZINC000574171070 334998205 /nfs/dbraw/zinc/99/82/05/334998205.db2.gz VEEFTXHATLXMBJ-UHFFFAOYSA-N 1 0 299.283 -0.515 20 5 CBBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000330610844 203036027 /nfs/dbraw/zinc/03/60/27/203036027.db2.gz OAGYLXGTNGZBCX-MRVPVSSYSA-N 1 0 283.288 -0.280 20 5 CBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330689813 203121988 /nfs/dbraw/zinc/12/19/88/203121988.db2.gz FHIOJCJFQVOWJK-SNVBAGLBSA-N 1 0 281.316 -0.102 20 5 CBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000330693412 203123657 /nfs/dbraw/zinc/12/36/57/203123657.db2.gz HWENGLJRSZTPNZ-JTQLQIEISA-N 1 0 296.331 -0.847 20 5 CBBDRO CC[N@@H+]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000331496046 203902795 /nfs/dbraw/zinc/90/27/95/203902795.db2.gz RQAHZMXCWTYYGS-UHFFFAOYSA-N 1 0 282.304 -0.260 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331623625 204020455 /nfs/dbraw/zinc/02/04/55/204020455.db2.gz HCOBVCJEAAOKIO-NXEZZACHSA-N 1 0 294.315 -0.071 20 5 CBBDRO COCCN(CC[NH+](C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270799555 372919575 /nfs/dbraw/zinc/91/95/75/372919575.db2.gz NIPYBAHQRKIHGY-UHFFFAOYSA-N 1 0 299.331 -0.022 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNc2ccncc2[N+](=O)[O-])C1 ZINC000361014763 373254761 /nfs/dbraw/zinc/25/47/61/373254761.db2.gz OMFCDWUNHTXVNL-NSHDSACASA-N 1 0 252.274 -0.110 20 5 CBBDRO C[C@@]1(C(N)=O)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361558845 373310206 /nfs/dbraw/zinc/31/02/06/373310206.db2.gz YUBKVHZLBZBGBT-LLVKDONJSA-N 1 0 267.289 -0.011 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363269610 373484816 /nfs/dbraw/zinc/48/48/16/373484816.db2.gz JCZRKHNBUPKMLK-DBIOUOCHSA-N 1 0 269.301 -0.369 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363269609 373484882 /nfs/dbraw/zinc/48/48/82/373484882.db2.gz JCZRKHNBUPKMLK-CHWFTXMASA-N 1 0 269.301 -0.369 20 5 CBBDRO COC(=O)[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+](C)C1 ZINC000413505580 373621643 /nfs/dbraw/zinc/62/16/43/373621643.db2.gz VBGIFJXAPMVXQJ-VIFPVBQESA-N 1 0 297.315 -0.131 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H](C)[NH3+])c1 ZINC000521999515 373856300 /nfs/dbraw/zinc/85/63/00/373856300.db2.gz XBZTZKJQEMTYKS-ZCFIWIBFSA-N 1 0 255.230 -0.110 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554895069 374284328 /nfs/dbraw/zinc/28/43/28/374284328.db2.gz LFMSWZHACXOVNN-JTQLQIEISA-N 1 0 271.277 -0.640 20 5 CBBDRO [NH3+][C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000575331432 374337914 /nfs/dbraw/zinc/33/79/14/374337914.db2.gz WHJWSATYOSJZES-VHSXEESVSA-N 1 0 277.284 -0.262 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000263798148 190079110 /nfs/dbraw/zinc/07/91/10/190079110.db2.gz SEPIFQJJBBOEOD-UHFFFAOYSA-N 1 0 285.304 -0.514 20 5 CBBDRO COC[C@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCC[NH2+]1 ZINC000357257086 248341183 /nfs/dbraw/zinc/34/11/83/248341183.db2.gz LKXNPRNECXTZCB-GFCCVEGCSA-N 1 0 297.315 -0.324 20 5 CBBDRO O=C(CC[N@@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278859163 194186773 /nfs/dbraw/zinc/18/67/73/194186773.db2.gz RXHMSUIAWSLIFG-TXEJJXNPSA-N 1 0 295.295 -0.039 20 5 CBBDRO COC(=O)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515210 190262970 /nfs/dbraw/zinc/26/29/70/190262970.db2.gz YRTIZBCRZFMQFT-ONGXEEELSA-N 1 0 298.299 -0.353 20 5 CBBDRO CCN(CC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266552324 190266388 /nfs/dbraw/zinc/26/63/88/190266388.db2.gz UMCMCXIFANUBFM-JTQLQIEISA-N 1 0 286.288 -0.353 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000266564197 190267123 /nfs/dbraw/zinc/26/71/23/190267123.db2.gz YXLBUENQGHFVFL-KOLCDFICSA-N 1 0 270.289 -0.127 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC000347653845 218307418 /nfs/dbraw/zinc/30/74/18/218307418.db2.gz LSLZNPWBOVQSPI-IUCAKERBSA-N 1 0 279.300 -0.038 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C[NH3+] ZINC000347706241 218328501 /nfs/dbraw/zinc/32/85/01/218328501.db2.gz WROQFNJLLLPGHL-ZETCQYMHSA-N 1 0 255.278 -0.047 20 5 CBBDRO C[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000429105755 208108805 /nfs/dbraw/zinc/10/88/05/208108805.db2.gz VORJLCWPWRBRFQ-UHFFFAOYSA-N 1 0 254.246 -0.908 20 5 CBBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429117927 208108894 /nfs/dbraw/zinc/10/88/94/208108894.db2.gz RFWFOFWRSKSFFB-ZMLRMANQSA-N 1 0 284.316 -0.003 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000429158510 208113181 /nfs/dbraw/zinc/11/31/81/208113181.db2.gz OYTMTCAYPFEMLS-PSASIEDQSA-N 1 0 267.289 -0.013 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3nn[nH]c3C2)n1 ZINC000429309795 208119627 /nfs/dbraw/zinc/11/96/27/208119627.db2.gz VFCUDGKBQFSIIY-UHFFFAOYSA-N 1 0 263.261 -0.032 20 5 CBBDRO CSCC[C@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000353768021 220317713 /nfs/dbraw/zinc/31/77/13/220317713.db2.gz ORNYQACVXIWCKQ-VIFPVBQESA-N 1 0 287.345 -0.012 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372589479 304382742 /nfs/dbraw/zinc/38/27/42/304382742.db2.gz UHYLEGFYOBBUKV-NOOOWODRSA-N 1 0 283.328 -0.291 20 5 CBBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285382468 196267392 /nfs/dbraw/zinc/26/73/92/196267392.db2.gz CTXPHCXIELBTLP-UHFFFAOYSA-N 1 0 297.315 -0.106 20 5 CBBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000040676265 174373680 /nfs/dbraw/zinc/37/36/80/174373680.db2.gz SEJDAUWGLFXQHQ-RYUDHWBXSA-N 1 0 279.296 -0.024 20 5 CBBDRO C[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1C[NH3+] ZINC000237702792 419580500 /nfs/dbraw/zinc/58/05/00/419580500.db2.gz QLCQBBMJVAMBQO-IUCAKERBSA-N 1 0 282.304 -0.228 20 5 CBBDRO CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000266959535 419602969 /nfs/dbraw/zinc/60/29/69/419602969.db2.gz HINNALHBODXTNS-UHFFFAOYSA-N 1 0 282.300 -0.224 20 5 CBBDRO C[NH+](C)CCOCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000354066893 419845187 /nfs/dbraw/zinc/84/51/87/419845187.db2.gz XYOMBBUTOOKTSD-UHFFFAOYSA-N 1 0 270.293 -0.621 20 5 CBBDRO CO[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C[NH3+])C1 ZINC000359211929 419949094 /nfs/dbraw/zinc/94/90/94/419949094.db2.gz KAUDIHNENVQUEZ-VHSXEESVSA-N 1 0 297.315 -0.244 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@]1(CO)CCOC1 ZINC000359608343 419977032 /nfs/dbraw/zinc/97/70/32/419977032.db2.gz ZAQFOFDBNDQLKL-CYBMUJFWSA-N 1 0 297.311 -0.160 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359799737 419987918 /nfs/dbraw/zinc/98/79/18/419987918.db2.gz SWASRWLBLTVEPJ-LBPRGKRZSA-N 1 0 297.315 -0.386 20 5 CBBDRO O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364540757 420041625 /nfs/dbraw/zinc/04/16/25/420041625.db2.gz DDYWNYUFUSAWDY-VWYCJHECSA-N 1 0 269.301 -0.369 20 5 CBBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364613021 420044708 /nfs/dbraw/zinc/04/47/08/420044708.db2.gz NQXYPJHTXXVQSM-MNOVXSKESA-N 1 0 285.344 -0.043 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000365851939 420071334 /nfs/dbraw/zinc/07/13/34/420071334.db2.gz XQDDKFZPPAVKDZ-OLZOCXBDSA-N 1 0 296.327 -0.001 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN([C@@H]2CCOC2)CC1 ZINC000366052574 420075464 /nfs/dbraw/zinc/07/54/64/420075464.db2.gz LSOIRLLVSICKNZ-MXWKQRLJSA-N 1 0 269.301 -0.415 20 5 CBBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000419007284 420243306 /nfs/dbraw/zinc/24/33/06/420243306.db2.gz RICBERHOTZAWQF-DTWKUNHWSA-N 1 0 296.331 -0.142 20 5 CBBDRO Nc1nc(NC[C@H]2CCCC[N@@H+]2CCO)ncc1[N+](=O)[O-] ZINC000450615654 420299290 /nfs/dbraw/zinc/29/92/90/420299290.db2.gz OOLHUMMAAGGWRS-SECBINFHSA-N 1 0 296.331 -0.352 20 5 CBBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000519707277 420386339 /nfs/dbraw/zinc/38/63/39/420386339.db2.gz CJYYYHGSOHBVAH-VIFPVBQESA-N 1 0 296.283 -0.196 20 5 CBBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000290564136 230212413 /nfs/dbraw/zinc/21/24/13/230212413.db2.gz GBYZDQXLFLZABR-UHFFFAOYSA-N 1 0 298.347 -0.069 20 5 CBBDRO C[NH+](C)C1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000569353789 420452640 /nfs/dbraw/zinc/45/26/40/420452640.db2.gz YYVLVKMPKNAKDW-UHFFFAOYSA-N 1 0 265.273 -0.042 20 5 CBBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000596424280 420488398 /nfs/dbraw/zinc/48/83/98/420488398.db2.gz FVAKQIUALJXKQS-ZETCQYMHSA-N 1 0 254.294 0.141 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597653159 420489582 /nfs/dbraw/zinc/48/95/82/420489582.db2.gz HKENUBMUSZMQEX-SSDOTTSWSA-N 1 0 283.288 -0.776 20 5 CBBDRO CNc1nccc(C(=O)N[C@@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000597654494 420489638 /nfs/dbraw/zinc/48/96/38/420489638.db2.gz RSRKLIURJFFCMU-MRVPVSSYSA-N 1 0 297.315 -0.316 20 5 CBBDRO Nc1ccc(NCC[N@@H+]2CC[C@@H](O)C2)nc1[N+](=O)[O-] ZINC000599176026 420491398 /nfs/dbraw/zinc/49/13/98/420491398.db2.gz ORPFGUQNKZXXHQ-MRVPVSSYSA-N 1 0 267.289 0.051 20 5 CBBDRO CN1CCOC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000599159408 420491629 /nfs/dbraw/zinc/49/16/29/420491629.db2.gz BNGPQILJIROJDS-SECBINFHSA-N 1 0 292.299 0.380 20 5 CBBDRO O=[N+]([O-])c1cnc2ccc(NCC[N@H+]3CC[C@H](O)C3)nn21 ZINC000599199833 420491845 /nfs/dbraw/zinc/49/18/45/420491845.db2.gz RYVIVPANFJAEIV-VIFPVBQESA-N 1 0 292.299 0.116 20 5 CBBDRO Nc1nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000609075042 420494596 /nfs/dbraw/zinc/49/45/96/420494596.db2.gz MWSUZMIZTRGYGX-BQBZGAKWSA-N 1 0 250.262 -0.377 20 5 CBBDRO COCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000212743324 262188840 /nfs/dbraw/zinc/18/88/40/262188840.db2.gz WFMOTTVLUXSAOW-UHFFFAOYSA-N 1 0 270.289 -0.101 20 5 CBBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000285642837 277152981 /nfs/dbraw/zinc/15/29/81/277152981.db2.gz FLVBLHBFVKPUGN-UWVGGRQHSA-N 1 0 295.299 -0.137 20 5 CBBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000285751232 277179854 /nfs/dbraw/zinc/17/98/54/277179854.db2.gz LMHDYKWURQAWEF-NXEZZACHSA-N 1 0 295.299 -0.137 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000358061448 277183680 /nfs/dbraw/zinc/18/36/80/277183680.db2.gz GIWFHEIXJADGGN-ZDUSSCGKSA-N 1 0 294.311 -0.027 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](CO)C2CC2)c1 ZINC000565422054 327994266 /nfs/dbraw/zinc/99/42/66/327994266.db2.gz LCMQNVNIFKNXAX-JQWIXIFHSA-N 1 0 284.316 -0.240 20 5 CBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000394069281 329100915 /nfs/dbraw/zinc/10/09/15/329100915.db2.gz BHPFYJMYODMZQL-MRVPVSSYSA-N 1 0 268.273 -0.179 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC2(CO)CC2)c1 ZINC000395895409 329301674 /nfs/dbraw/zinc/30/16/74/329301674.db2.gz HSIVRASRWKITQE-LLVKDONJSA-N 1 0 284.316 -0.096 20 5 CBBDRO Cc1n[nH]c(C(=O)NC[C@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000575802857 335116752 /nfs/dbraw/zinc/11/67/52/335116752.db2.gz WRMNCWKCQCXPPM-MRVPVSSYSA-N 1 0 282.304 -0.740 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[NH2+]C1 ZINC000567522215 334728352 /nfs/dbraw/zinc/72/83/52/334728352.db2.gz JHBUSJBFRNVXHG-QMMMGPOBSA-N 1 0 268.277 -0.548 20 5 CBBDRO CO[C@@H]1COC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000576343068 335191933 /nfs/dbraw/zinc/19/19/33/335191933.db2.gz GYQAHKNLBPSKFS-RKDXNWHRSA-N 1 0 256.262 -0.205 20 5 CBBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000577484673 335357367 /nfs/dbraw/zinc/35/73/67/335357367.db2.gz ZVBQTSUKPHSRJV-WPRPVWTQSA-N 1 0 280.284 -0.295 20 5 CBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000579709872 335870105 /nfs/dbraw/zinc/87/01/05/335870105.db2.gz MCTUMOLXQQDTKM-SECBINFHSA-N 1 0 295.299 -0.671 20 5 CBBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC000580714357 335959099 /nfs/dbraw/zinc/95/90/99/335959099.db2.gz SNEYTWKSWHUOSH-QMMMGPOBSA-N 1 0 297.315 -0.011 20 5 CBBDRO C[C@H]1[NH2+]CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1C ZINC000581370841 336063294 /nfs/dbraw/zinc/06/32/94/336063294.db2.gz DQTYQVICKUMNBV-ZJUUUORDSA-N 1 0 294.311 -0.035 20 5 CBBDRO [NH3+]CC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(F)F ZINC000581885038 336159862 /nfs/dbraw/zinc/15/98/62/336159862.db2.gz BQXLPUCCIXZUKV-ZCFIWIBFSA-N 1 0 277.231 -0.110 20 5 CBBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)O ZINC000386757091 336177957 /nfs/dbraw/zinc/17/79/57/336177957.db2.gz HRTVMCKIUMLTGI-LSJOCFKGSA-N 1 0 272.305 -0.099 20 5 CBBDRO COC(=O)NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000308224113 534120410 /nfs/dbraw/zinc/12/04/10/534120410.db2.gz DHGPFEHTIFCALE-SECBINFHSA-N 1 0 287.276 -0.902 20 5 CBBDRO C[NH+](C)C[C@@H](O)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000728051197 582143245 /nfs/dbraw/zinc/14/32/45/582143245.db2.gz REWQGZOSEMTBII-LURJTMIESA-N 1 0 256.266 -0.699 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000775414538 582352546 /nfs/dbraw/zinc/35/25/46/582352546.db2.gz NUMOVBNDMKZILG-VIFPVBQESA-N 1 0 288.329 -0.042 20 5 CBBDRO O=C1C[C@@]2(CCN(Cn3nccc3[N+](=O)[O-])C2)CN1 ZINC000788383562 582385794 /nfs/dbraw/zinc/38/57/94/582385794.db2.gz RFIRZPVTMIGQFH-NSHDSACASA-N 1 0 265.273 -0.039 20 5 CBBDRO CC[NH+](CC)CC(=O)N1CCN(CC[N+](=O)[O-])CC1 ZINC000791053432 582392359 /nfs/dbraw/zinc/39/23/59/582392359.db2.gz STJNXBKHMQSMEH-UHFFFAOYSA-N 1 0 272.349 -0.251 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000808171938 582441900 /nfs/dbraw/zinc/44/19/00/582441900.db2.gz OPYYVJQUTTWHFU-VIFPVBQESA-N 1 0 282.300 -0.171 20 5 CBBDRO O=[N+]([O-])c1ccn(Cc2nc(N3CC[NH2+]CC3)no2)n1 ZINC000823335816 582667009 /nfs/dbraw/zinc/66/70/09/582667009.db2.gz YRXHYLJGGOWBMR-UHFFFAOYSA-N 1 0 279.260 -0.368 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]1(F)CC[NH2+]C1 ZINC000831411783 582979969 /nfs/dbraw/zinc/97/99/69/582979969.db2.gz IUDUOPGNEHLVPI-JTQLQIEISA-N 1 0 271.252 -0.391 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000834570025 583131879 /nfs/dbraw/zinc/13/18/79/583131879.db2.gz XILNVJZJEVEDAV-CKYFFXLPSA-N 1 0 271.317 -0.433 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839605127 583156692 /nfs/dbraw/zinc/15/66/92/583156692.db2.gz JCZRKHNBUPKMLK-UKKRHICBSA-N 1 0 269.301 -0.369 20 5 CBBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781109 583159627 /nfs/dbraw/zinc/15/96/27/583159627.db2.gz IVVLHFCYZMRNAI-GMTAPVOTSA-N 1 0 271.317 -0.385 20 5 CBBDRO Nc1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000842509815 583184533 /nfs/dbraw/zinc/18/45/33/583184533.db2.gz HUDLMYKOBXPHBI-SECBINFHSA-N 1 0 280.284 -0.105 20 5 CBBDRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843062099 583199268 /nfs/dbraw/zinc/19/92/68/583199268.db2.gz LURSNGXHSPLPQK-FXAINCCUSA-N 1 0 270.285 -0.041 20 5 CBBDRO C[C@@](O)(CO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843080916 583200846 /nfs/dbraw/zinc/20/08/46/583200846.db2.gz MIKYUOHNSMRQAT-NEPJUHHUSA-N 1 0 270.285 -0.039 20 5 CBBDRO C[C@@](O)(CO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843080918 583200856 /nfs/dbraw/zinc/20/08/56/583200856.db2.gz MIKYUOHNSMRQAT-RYUDHWBXSA-N 1 0 270.285 -0.039 20 5 CBBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000843117608 583203791 /nfs/dbraw/zinc/20/37/91/583203791.db2.gz QQTMOTRANDWEHR-GRYCIOLGSA-N 1 0 268.269 -0.023 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854463480 583603814 /nfs/dbraw/zinc/60/38/14/583603814.db2.gz BZSBIOYWJAKVCQ-SECBINFHSA-N 1 0 261.322 -0.139 20 5 CBBDRO C[NH+](C)CCONC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000854947305 583629459 /nfs/dbraw/zinc/62/94/59/583629459.db2.gz POOWDDYUSPFGEF-UHFFFAOYSA-N 1 0 271.277 -0.209 20 5 CBBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000858643002 583700255 /nfs/dbraw/zinc/70/02/55/583700255.db2.gz UCGDIPFKNMCNFL-ZETCQYMHSA-N 1 0 274.302 -0.043 20 5 CBBDRO O=C1OC[C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000860159339 583739879 /nfs/dbraw/zinc/73/98/79/583739879.db2.gz DVCNJXCNFWGRHL-DVVUODLYSA-N 1 0 296.283 -0.743 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000894382472 584657021 /nfs/dbraw/zinc/65/70/21/584657021.db2.gz OLAYQDXPDVJSDK-UHFFFAOYSA-N 1 0 296.331 -0.462 20 5 CBBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896536098 584701505 /nfs/dbraw/zinc/70/15/05/584701505.db2.gz VGPCPSHTCSGTNA-DBIOUOCHSA-N 1 0 270.333 -0.598 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000923380116 658245181 /nfs/dbraw/zinc/24/51/81/658245181.db2.gz MNIHFTXBEOJMFV-STQMWFEESA-N 1 0 295.343 -0.020 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000923380112 658246017 /nfs/dbraw/zinc/24/60/17/658246017.db2.gz MNIHFTXBEOJMFV-OLZOCXBDSA-N 1 0 295.343 -0.020 20 5 CBBDRO C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000928447578 659023852 /nfs/dbraw/zinc/02/38/52/659023852.db2.gz KZNJUUDLIITELC-MWLCHTKSSA-N 1 0 294.311 -0.035 20 5 CBBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000703567911 656183609 /nfs/dbraw/zinc/18/36/09/656183609.db2.gz KLONKFFQBTWTSQ-JOYOIKCWSA-N 1 0 279.300 -0.141 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000708609356 656194290 /nfs/dbraw/zinc/19/42/90/656194290.db2.gz NULDDRSRNBHIQR-NXEZZACHSA-N 1 0 270.289 -0.209 20 5 CBBDRO CCN1CC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000712614001 656210545 /nfs/dbraw/zinc/21/05/45/656210545.db2.gz JWIYMBFFTFYJQQ-CMPLNLGQSA-N 1 0 283.332 -0.164 20 5 CBBDRO CCN1CC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000712614004 656210702 /nfs/dbraw/zinc/21/07/02/656210702.db2.gz JWIYMBFFTFYJQQ-ZYHUDNBSSA-N 1 0 283.332 -0.164 20 5 CBBDRO Cc1nn(C)c(NC[C@@H](O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000717391822 656228193 /nfs/dbraw/zinc/22/81/93/656228193.db2.gz HKDFBXQALRBQKN-MRVPVSSYSA-N 1 0 257.294 -0.029 20 5 CBBDRO O=[N+]([O-])CC[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000905162870 656342276 /nfs/dbraw/zinc/34/22/76/656342276.db2.gz YGEMLNNYXHUICQ-UHFFFAOYSA-N 1 0 277.346 -0.191 20 5 CBBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905189354 656344828 /nfs/dbraw/zinc/34/48/28/656344828.db2.gz RUQZMIQIWZFMGJ-MRVPVSSYSA-N 1 0 251.308 -0.723 20 5 CBBDRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]CC[N+](=O)[O-] ZINC000905389952 656356164 /nfs/dbraw/zinc/35/61/64/656356164.db2.gz NFMDTKPTGCUOBC-LBPRGKRZSA-N 1 0 273.333 -0.532 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000911724009 657116105 /nfs/dbraw/zinc/11/61/05/657116105.db2.gz KGMVMGZBQUJJLS-MRVPVSSYSA-N 1 0 267.289 -0.080 20 5 CBBDRO NC(=O)CC[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577338 657779981 /nfs/dbraw/zinc/77/99/81/657779981.db2.gz RVHVSNNYMORZNU-PWSUYJOCSA-N 1 0 283.284 -0.546 20 5 CBBDRO Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138961 658016785 /nfs/dbraw/zinc/01/67/85/658016785.db2.gz JTZFROUGVMXKCD-ZYUZMQFOSA-N 1 0 294.315 -0.783 20 5 CBBDRO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)[NH2+]1 ZINC000923285898 658195143 /nfs/dbraw/zinc/19/51/43/658195143.db2.gz HNSUHFXORFMARU-FOGDFJRCSA-N 1 0 283.332 -0.166 20 5 CBBDRO C[NH2+][C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923284985 658195396 /nfs/dbraw/zinc/19/53/96/658195396.db2.gz YNKQMICAKXOZRF-ZYHUDNBSSA-N 1 0 283.332 -0.164 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000923329938 658215600 /nfs/dbraw/zinc/21/56/00/658215600.db2.gz SHLRUWMCTSVWNS-YPMHNXCESA-N 1 0 295.343 -0.022 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000923360884 658227986 /nfs/dbraw/zinc/22/79/86/658227986.db2.gz BMUZJTVFHBEEEO-WCFLWFBJSA-N 1 0 295.343 -0.164 20 5 CBBDRO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C[NH2+]1 ZINC000923362403 658233772 /nfs/dbraw/zinc/23/37/72/658233772.db2.gz SMOJBSPALHTUBF-JFGNBEQYSA-N 1 0 283.332 -0.166 20 5 CBBDRO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C[NH2+]1 ZINC000923362404 658234331 /nfs/dbraw/zinc/23/43/31/658234331.db2.gz SMOJBSPALHTUBF-SCVCMEIPSA-N 1 0 283.332 -0.166 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000923363600 658234606 /nfs/dbraw/zinc/23/46/06/658234606.db2.gz DDNDDGHDKQKSEG-NTZNESFSSA-N 1 0 295.343 -0.022 20 5 CBBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([NH2+]CCO)C2)c1 ZINC000923407372 658263490 /nfs/dbraw/zinc/26/34/90/658263490.db2.gz XUYQVJJTKPTLLK-LLVKDONJSA-N 1 0 283.332 -0.162 20 5 CBBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@H]([NH2+]CCO)C2)c1 ZINC000923407373 658265514 /nfs/dbraw/zinc/26/55/14/658265514.db2.gz XUYQVJJTKPTLLK-NSHDSACASA-N 1 0 283.332 -0.162 20 5 CBBDRO COC(=O)[C@]12C[N@H+](CC[N+](=O)[O-])C[C@H]1COCC2 ZINC000930288662 659247488 /nfs/dbraw/zinc/24/74/88/659247488.db2.gz NJDKSYCRGXUJAP-GXSJLCMTSA-N 1 0 258.274 -0.225 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164404326 718838571 /nfs/dbraw/zinc/83/85/71/718838571.db2.gz MGKFDLSKBNDESO-JTQLQIEISA-N 1 0 278.316 -0.334 20 5 CBBDRO CC[S@@](=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000132754531 790388794 /nfs/dbraw/zinc/38/87/94/790388794.db2.gz MJODRRAHPYPXCL-DGIBIBHMSA-N 1 0 290.345 -0.490 20 5 CBBDRO [NH3+]C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000702049324 790719745 /nfs/dbraw/zinc/71/97/45/790719745.db2.gz KWMSQKOFGMEIFZ-MRVPVSSYSA-N 1 0 253.262 -0.402 20 5 CBBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063749 790987719 /nfs/dbraw/zinc/98/77/19/790987719.db2.gz LEIWLARXVYUXCC-WRWGMCAJSA-N 1 0 293.327 -0.215 20 5 CBBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063840 790987790 /nfs/dbraw/zinc/98/77/90/790987790.db2.gz MKYULPGVVYHAAN-LMLFDSFASA-N 1 0 294.315 -0.820 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1C[NH2+]C1 ZINC001118149098 812479234 /nfs/dbraw/zinc/47/92/34/812479234.db2.gz XAGICHIKDIYYRA-UHFFFAOYSA-N 1 0 267.289 -0.175 20 5 CBBDRO C[C@@H]([NH3+])CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118043548 812465798 /nfs/dbraw/zinc/46/57/98/812465798.db2.gz PCTFTUAJEHKTRC-MRVPVSSYSA-N 1 0 292.295 -0.100 20 5 CBBDRO COCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072726039 805331725 /nfs/dbraw/zinc/33/17/25/805331725.db2.gz YXABDRMLGRXJHY-GHMZBOCLSA-N 1 0 283.328 -0.168 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1ncc([N+](=O)[O-])cc1N ZINC001154770520 815239669 /nfs/dbraw/zinc/23/96/69/815239669.db2.gz BJJWZNYPWYRTMP-UHFFFAOYSA-N 1 0 275.290 -0.703 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1 ZINC001155502385 815288280 /nfs/dbraw/zinc/28/82/80/815288280.db2.gz CVOZFPSHSVCJFW-OPRDCNLKSA-N 1 0 266.257 -0.373 20 5 CBBDRO Nc1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ccc1[N+](=O)[O-] ZINC001155506650 815289142 /nfs/dbraw/zinc/28/91/42/815289142.db2.gz XMTSZVRTBBHNIX-BWZBUEFSSA-N 1 0 265.273 -0.029 20 5 CBBDRO CN(c1cc([N+](=O)[O-])ccn1)S(=O)(=O)CC[NH3+] ZINC001156231426 815346471 /nfs/dbraw/zinc/34/64/71/815346471.db2.gz GCSUKYKEIJLZJP-UHFFFAOYSA-N 1 0 260.275 -0.286 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)S(=O)(=O)CC[NH3+] ZINC001156238310 815348738 /nfs/dbraw/zinc/34/87/38/815348738.db2.gz IGXQTPLZFSAMHG-UHFFFAOYSA-N 1 0 290.301 -0.739 20 5 CBBDRO COC(=O)CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156338713 815355542 /nfs/dbraw/zinc/35/55/42/815355542.db2.gz QLNVFDNNIUMESJ-UHFFFAOYSA-N 1 0 296.287 -0.621 20 5 CBBDRO COC(=O)c1cnc(-n2nnc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001156984246 815394537 /nfs/dbraw/zinc/39/45/37/815394537.db2.gz DUUQREQTKMQUEC-UHFFFAOYSA-N 1 0 293.243 -0.747 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1nnc(CC[NH3+])n1 ZINC001156988750 815395669 /nfs/dbraw/zinc/39/56/69/815395669.db2.gz JZAWSKZLEWKNDW-UHFFFAOYSA-N 1 0 265.233 -0.986 20 5 CBBDRO COc1nc(-n2nnc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC001156986123 815395963 /nfs/dbraw/zinc/39/59/63/815395963.db2.gz QDIRLOIRDLGBNE-UHFFFAOYSA-N 1 0 265.233 -0.525 20 5 CBBDRO Cc1nc(-n2nnc(CC[NH3+])n2)ncc1[N+](=O)[O-] ZINC001156990193 815397097 /nfs/dbraw/zinc/39/70/97/815397097.db2.gz VTZQPKFKQXBKTF-UHFFFAOYSA-N 1 0 250.222 -0.830 20 5 CBBDRO CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098366075 810841772 /nfs/dbraw/zinc/84/17/72/810841772.db2.gz VSMOWVMWLXZQPQ-VXGBXAGGSA-N 1 0 285.344 -0.043 20 5 CBBDRO O=C(NCCC[NH2+]Cc1cnns1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767832 815463784 /nfs/dbraw/zinc/46/37/84/815463784.db2.gz WRHLNNLOPMNVKP-RKDXNWHRSA-N 1 0 285.329 -0.201 20 5 CBBDRO O=C(NCCC[NH2+]CCN1CCCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775825 815466115 /nfs/dbraw/zinc/46/61/15/815466115.db2.gz YXJARRUBDZRCDO-GHMZBOCLSA-N 1 0 298.343 -0.630 20 5 CBBDRO O=C(NCCC[NH2+]Cc1nncs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767801 815462753 /nfs/dbraw/zinc/46/27/53/815462753.db2.gz VFDRXTGXPLAUNJ-HTQZYQBOSA-N 1 0 285.329 -0.201 20 5 CBBDRO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767798 815463052 /nfs/dbraw/zinc/46/30/52/815463052.db2.gz VCDCHOIVMIFDTD-NXEZZACHSA-N 1 0 286.332 -0.728 20 5 CBBDRO O=[N+]([O-])c1cnc(NCCn2cnnc2)nc1C1C[NH2+]C1 ZINC001158038300 815500739 /nfs/dbraw/zinc/50/07/39/815500739.db2.gz IKDPPQJOMIJJQZ-UHFFFAOYSA-N 1 0 290.287 -0.225 20 5 CBBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2nnnc2C[NH3+])n1 ZINC001158079938 815502592 /nfs/dbraw/zinc/50/25/92/815502592.db2.gz DPYVFQXHJXFTQX-UHFFFAOYSA-N 1 0 293.247 -0.914 20 5 CBBDRO Cc1nc(CC[NH3+])nn1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001158126146 815506509 /nfs/dbraw/zinc/50/65/09/815506509.db2.gz OWRAILIGFNIBAW-UHFFFAOYSA-N 1 0 264.245 -0.381 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001117737933 812441175 /nfs/dbraw/zinc/44/11/75/812441175.db2.gz XUVQGWJHZHOZTB-RKDXNWHRSA-N 1 0 295.299 -0.401 20 5 CBBDRO CO[C@@H](C[NH3+])Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC001118102865 812471643 /nfs/dbraw/zinc/47/16/43/812471643.db2.gz LUJDJLXOOSUGBY-ZCFIWIBFSA-N 1 0 282.260 -0.106 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC001118139028 812477039 /nfs/dbraw/zinc/47/70/39/812477039.db2.gz ACMUBEKQDBSBMQ-VIFPVBQESA-N 1 0 267.289 -0.093 20 5 CBBDRO CN(CC(C)(C)[NH3+])C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118572114 812580395 /nfs/dbraw/zinc/58/03/95/812580395.db2.gz OMLPVNGDRFIRSM-UHFFFAOYSA-N 1 0 282.300 -0.048 20 5 CBBDRO Nc1nc(N2C[C@H]([NH3+])C3(COC3)C2)ccc1[N+](=O)[O-] ZINC001158761568 815545164 /nfs/dbraw/zinc/54/51/64/815545164.db2.gz CTFJMJCHPDFFES-QMMMGPOBSA-N 1 0 265.273 -0.264 20 5 CBBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1[nH]ncc1[N+](=O)[O-] ZINC001159091736 815558741 /nfs/dbraw/zinc/55/87/41/815558741.db2.gz QUYMFQWQKQFHQY-SECBINFHSA-N 1 0 297.315 -0.106 20 5 CBBDRO COCc1nc2n(n1)C[C@@H]([NH2+]CC[N+](=O)[O-])CC2 ZINC001120274042 812946870 /nfs/dbraw/zinc/94/68/70/812946870.db2.gz XLSLFJQRXCOFRV-QMMMGPOBSA-N 1 0 255.278 -0.394 20 5 CBBDRO COC(=O)[C@H]1CN(CC[N+](=O)[O-])C[C@H]1C(=O)OC ZINC001120366960 812954624 /nfs/dbraw/zinc/95/46/24/812954624.db2.gz ZEUZDUSBJCZVOV-OCAPTIKFSA-N 1 0 260.246 -0.843 20 5 CBBDRO NC(=O)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125080759 813516505 /nfs/dbraw/zinc/51/65/05/813516505.db2.gz XNSSAPLFEXNZEQ-UHFFFAOYSA-N 1 0 286.313 -0.263 20 5 CBBDRO Cc1noc(CCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936827 813696918 /nfs/dbraw/zinc/69/69/18/813696918.db2.gz SSZGIMYPOUJNDH-NXEZZACHSA-N 1 0 297.315 -0.318 20 5 CBBDRO Cc1ncoc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936633 813696948 /nfs/dbraw/zinc/69/69/48/813696948.db2.gz NHCLTXMAZBTDDA-RKDXNWHRSA-N 1 0 268.273 -0.146 20 5 CBBDRO CCOCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938914 813697120 /nfs/dbraw/zinc/69/71/20/813697120.db2.gz MVDBLRUPVPSAGX-NXEZZACHSA-N 1 0 259.306 -0.216 20 5 CBBDRO NC(=O)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133205902 814229345 /nfs/dbraw/zinc/22/93/45/814229345.db2.gz BUHRATDIFUMYKD-UHFFFAOYSA-N 1 0 266.257 -0.714 20 5 CBBDRO NC(=O)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133206433 814231052 /nfs/dbraw/zinc/23/10/52/814231052.db2.gz QJBCBZAVIWKAMB-UHFFFAOYSA-N 1 0 266.257 -0.714 20 5 CBBDRO C[NH+](C)CCN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001135753664 814519758 /nfs/dbraw/zinc/51/97/58/814519758.db2.gz STENFHBLLLMNGR-UHFFFAOYSA-N 1 0 296.331 -0.363 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001138061745 814597977 /nfs/dbraw/zinc/59/79/77/814597977.db2.gz TYVGEXYCKLUVDO-CYBMUJFWSA-N 1 0 294.311 -0.027 20 5 CBBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001159676646 815586803 /nfs/dbraw/zinc/58/68/03/815586803.db2.gz IGGINHCJFCVLCN-HTRCEHHLSA-N 1 0 288.691 -0.126 20 5 CBBDRO COc1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159678845 815586891 /nfs/dbraw/zinc/58/68/91/815586891.db2.gz RFUUCTDDCDZNSP-HTQZYQBOSA-N 1 0 268.273 -0.009 20 5 CBBDRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001147832045 814917577 /nfs/dbraw/zinc/91/75/77/814917577.db2.gz XXQMJQUXXFAXFU-GHMZBOCLSA-N 1 0 271.317 -0.385 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001162124406 815803773 /nfs/dbraw/zinc/80/37/73/815803773.db2.gz XQTHBIFZESQHIN-UHFFFAOYSA-N 1 0 291.289 -0.882 20 5 CBBDRO COc1cnc(N(CC[NH3+])S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001162124170 815803843 /nfs/dbraw/zinc/80/38/43/815803843.db2.gz QEEIGJHPNVRYOE-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO COc1ccc(N(CC[NH3+])S(C)(=O)=O)nc1[N+](=O)[O-] ZINC001162125055 815804604 /nfs/dbraw/zinc/80/46/04/815804604.db2.gz VKGOQMSMVKIRFY-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1nccc1C[NH3+] ZINC001162586392 815834875 /nfs/dbraw/zinc/83/48/75/815834875.db2.gz VONRVFGIWIHMME-UHFFFAOYSA-N 1 0 262.229 -0.267 20 5 CBBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])c(=O)n(C)c1)C(C)(C)[NH3+] ZINC001162947446 815849896 /nfs/dbraw/zinc/84/98/96/815849896.db2.gz HZFNVIXZUIJTHW-SECBINFHSA-N 1 0 298.299 -0.016 20 5 CBBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162926380 815850537 /nfs/dbraw/zinc/85/05/37/815850537.db2.gz QCXGUKVUOGVBRW-IONNQARKSA-N 1 0 278.268 -0.024 20 5 CBBDRO NC(=O)c1ccnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1[N+](=O)[O-] ZINC001163141082 815860615 /nfs/dbraw/zinc/86/06/15/815860615.db2.gz BZQREMRSPNXWDU-IWSPIJDZSA-N 1 0 293.283 -0.513 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163137526 815860671 /nfs/dbraw/zinc/86/06/71/815860671.db2.gz PAGBPKJWAGWVKW-OPRDCNLKSA-N 1 0 293.283 -0.513 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163202843 815865307 /nfs/dbraw/zinc/86/53/07/815865307.db2.gz OENVGDVHVFYURG-LDYMZIIASA-N 1 0 266.257 -0.229 20 5 CBBDRO COc1cnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163239155 815870084 /nfs/dbraw/zinc/87/00/84/815870084.db2.gz QZMLHJLRVJXHAV-SKDRFNHKSA-N 1 0 293.283 -0.012 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncccc2[N+](=O)[O-])N1 ZINC001163243451 815871597 /nfs/dbraw/zinc/87/15/97/815871597.db2.gz SLWXQYJKTCXMNP-KWQFWETISA-N 1 0 263.257 -0.020 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc([N+](=O)[O-])cn2)N1 ZINC001163240839 815871894 /nfs/dbraw/zinc/87/18/94/815871894.db2.gz WXWNIOXKCPKFRX-LDYMZIIASA-N 1 0 263.257 -0.020 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163249594 815873208 /nfs/dbraw/zinc/87/32/08/815873208.db2.gz KNIYYKBFJLQVSQ-QPUJVOFHSA-N 1 0 293.283 -0.012 20 5 CBBDRO O=[N+]([O-])c1nccnc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163336318 815879317 /nfs/dbraw/zinc/87/93/17/815879317.db2.gz MOKNNJVFUJQMNS-CSMHCCOUSA-N 1 0 251.246 -0.074 20 5 CBBDRO CCO[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C[NH+](C)C ZINC001288685642 816418624 /nfs/dbraw/zinc/41/86/24/816418624.db2.gz NCNLGZDEEVAPHK-LLVKDONJSA-N 1 0 299.331 -0.126 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[NH+](C)CC2)n1 ZINC001290407935 816434056 /nfs/dbraw/zinc/43/40/56/816434056.db2.gz FDGOFLYLBOWRBP-UHFFFAOYSA-N 1 0 296.331 -0.695 20 5 CBBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001302247014 816754649 /nfs/dbraw/zinc/75/46/49/816754649.db2.gz JXJUIGOLTNWZBG-QMMMGPOBSA-N 1 0 297.315 -0.107 20 5 CBBDRO C[N@H+](CCNc1ccncc1[N+](=O)[O-])CCOCCO ZINC001307194392 816798304 /nfs/dbraw/zinc/79/83/04/816798304.db2.gz GQSWUVGHGQDVFG-UHFFFAOYSA-N 1 0 284.316 -0.236 20 5 CBBDRO CC(=O)N[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857863 816815241 /nfs/dbraw/zinc/81/52/41/816815241.db2.gz ZZTHNRAUZKEMRV-PWSUYJOCSA-N 1 0 297.315 -0.637 20 5 CBBDRO COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317211789 816940338 /nfs/dbraw/zinc/94/03/38/816940338.db2.gz YAYGHGWIVDGYLM-ZIQFBCGOSA-N 1 0 283.328 -0.266 20 5 CBBDRO CN(CC[NH2+]Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317584520 817022675 /nfs/dbraw/zinc/02/26/75/817022675.db2.gz DUAOXDRTZNPYIP-GHMZBOCLSA-N 1 0 281.316 -0.367 20 5 CBBDRO C[NH+](C)CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318491860 817113936 /nfs/dbraw/zinc/11/39/36/817113936.db2.gz STPQOUCXLGNARV-UHFFFAOYSA-N 1 0 296.331 -0.014 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001320227637 817299024 /nfs/dbraw/zinc/29/90/24/817299024.db2.gz DTHQAEULVMMKBQ-LLVKDONJSA-N 1 0 283.288 -0.875 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCOCC[NH+](C)C)n1 ZINC001320377383 817329364 /nfs/dbraw/zinc/32/93/64/817329364.db2.gz NCOQWMAHIDPUOG-UHFFFAOYSA-N 1 0 285.304 -0.364 20 5 CBBDRO Cc1nn(C)c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001321134967 817447594 /nfs/dbraw/zinc/44/75/94/817447594.db2.gz CBFPSCRNUWPDSQ-LBPRGKRZSA-N 1 0 297.315 -0.567 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(N(CC[NH3+])CCO)n1 ZINC001163828136 819854226 /nfs/dbraw/zinc/85/42/26/819854226.db2.gz QAVQERALTAOHHJ-UHFFFAOYSA-N 1 0 257.250 -0.849 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001165283120 819947963 /nfs/dbraw/zinc/94/79/63/819947963.db2.gz PQEGDSDLXYPPFG-PELKAZGASA-N 1 0 279.300 -0.410 20 5 CBBDRO Nc1cc(N2CCOCC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165285455 819948064 /nfs/dbraw/zinc/94/80/64/819948064.db2.gz CKVVIOHKQCILQG-UHFFFAOYSA-N 1 0 265.273 -0.249 20 5 CBBDRO COc1ncnc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC001165283604 819948136 /nfs/dbraw/zinc/94/81/36/819948136.db2.gz DKJCFDUXTRDHLM-PELKAZGASA-N 1 0 295.299 -0.589 20 5 CBBDRO O=C1NCCN(c2cc([N+](=O)[O-])ccn2)C12C[NH2+]C2 ZINC001165298577 819952741 /nfs/dbraw/zinc/95/27/41/819952741.db2.gz YLWOEBPLQCANDP-UHFFFAOYSA-N 1 0 263.257 -0.732 20 5 CBBDRO COc1ncnc(N2C[C@@H]3C[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC001165313123 819955972 /nfs/dbraw/zinc/95/59/72/819955972.db2.gz FHPQEQXKYPRJGS-WKEGUHRASA-N 1 0 251.246 -0.069 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165437450 819962166 /nfs/dbraw/zinc/96/21/66/819962166.db2.gz SCAKMYIHSZZQCP-VIFPVBQESA-N 1 0 282.256 -0.821 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165437449 819962447 /nfs/dbraw/zinc/96/24/47/819962447.db2.gz SCAKMYIHSZZQCP-SECBINFHSA-N 1 0 282.256 -0.821 20 5 CBBDRO CCN(CCC(N)=O)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166589773 820007317 /nfs/dbraw/zinc/00/73/17/820007317.db2.gz JXLXZRVXOBIBCY-UHFFFAOYSA-N 1 0 294.315 -0.227 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001166966067 820053651 /nfs/dbraw/zinc/05/36/51/820053651.db2.gz BAUVEZQGWPHZOW-SCZZXKLOSA-N 1 0 296.283 -0.384 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](O)[C@@H]([NH3+])C2)n1 ZINC001167088606 820068996 /nfs/dbraw/zinc/06/89/96/820068996.db2.gz BAZWZANGGUDYOB-NKWVEPMBSA-N 1 0 269.261 -0.790 20 5 CBBDRO COc1nc(N2C[C@@H](O)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001167090318 820069765 /nfs/dbraw/zinc/06/97/65/820069765.db2.gz OHWIYFFEULJZLJ-POYBYMJQSA-N 1 0 254.246 -0.493 20 5 CBBDRO Nc1nc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1[N+](=O)[O-] ZINC001167188319 820073861 /nfs/dbraw/zinc/07/38/61/820073861.db2.gz UDFHYMBVRVDCKL-OQJHAAMPSA-N 1 0 279.300 -0.018 20 5 CBBDRO [NH3+]CCc1nnn(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)n1 ZINC001167787604 820116055 /nfs/dbraw/zinc/11/60/55/820116055.db2.gz DIKJEKPEZOAALX-UHFFFAOYSA-N 1 0 274.244 -0.052 20 5 CBBDRO [NH3+]CCc1nnn(-c2cc([N+](=O)[O-])c3nccn3c2)n1 ZINC001167790291 820117803 /nfs/dbraw/zinc/11/78/03/820117803.db2.gz FFYDHNBMJAUDTP-UHFFFAOYSA-N 1 0 274.244 -0.281 20 5 CBBDRO [NH3+]CCc1nnn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)n1 ZINC001167792721 820122054 /nfs/dbraw/zinc/12/20/54/820122054.db2.gz LGXNTGMPKCCBFE-UHFFFAOYSA-N 1 0 289.255 -0.685 20 5 CBBDRO COc1nc(C)c(-n2nnnc2C[NH3+])cc1[N+](=O)[O-] ZINC001168920367 820190542 /nfs/dbraw/zinc/19/05/42/820190542.db2.gz OEPYPHUTICZCSK-UHFFFAOYSA-N 1 0 265.233 -0.259 20 5 CBBDRO CNc1cc([N+](=O)[O-])cnc1-n1nnnc1C[NH3+] ZINC001168920929 820192797 /nfs/dbraw/zinc/19/27/97/820192797.db2.gz LPEHWVNQSRNWDD-UHFFFAOYSA-N 1 0 250.222 -0.534 20 5 CBBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCN(CCO)CCO)C1 ZINC001168967637 820197640 /nfs/dbraw/zinc/19/76/40/820197640.db2.gz RQLDYAPRQNNKHM-CHWSQXEVSA-N 1 0 289.376 -0.302 20 5 CBBDRO COC(=O)[C@H](CN)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977849 820198607 /nfs/dbraw/zinc/19/86/07/820198607.db2.gz MXKMTCPHIPHOQB-OPRDCNLKSA-N 1 0 259.306 -0.231 20 5 CBBDRO O=C1CO[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CN1 ZINC001168977035 820198963 /nfs/dbraw/zinc/19/89/63/820198963.db2.gz HDVYWOXJBNXOON-LPEHRKFASA-N 1 0 257.290 -0.464 20 5 CBBDRO COC(=O)CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168997900 820200351 /nfs/dbraw/zinc/20/03/51/820200351.db2.gz GISPNPOPZBAJLL-BBBLOLIVSA-N 1 0 287.316 -0.172 20 5 CBBDRO NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169008007 820200455 /nfs/dbraw/zinc/20/04/55/820200455.db2.gz QOQNUVUAJJZKHK-GDPRMGEGSA-N 1 0 281.316 -0.144 20 5 CBBDRO NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169008008 820200573 /nfs/dbraw/zinc/20/05/73/820200573.db2.gz QOQNUVUAJJZKHK-IEBDPFPHSA-N 1 0 281.316 -0.144 20 5 CBBDRO NC(=O)CN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040053 820202344 /nfs/dbraw/zinc/20/23/44/820202344.db2.gz XGMDEPUWLZVMHB-WDEREUQCSA-N 1 0 270.333 -0.465 20 5 CBBDRO COc1nc(C)nc(-n2nncc2C[NH3+])c1[N+](=O)[O-] ZINC001169304232 820225962 /nfs/dbraw/zinc/22/59/62/820225962.db2.gz SUDRGJOFZPZXHR-UHFFFAOYSA-N 1 0 265.233 -0.259 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1nncc1C[NH3+] ZINC001169311905 820228538 /nfs/dbraw/zinc/22/85/38/820228538.db2.gz IJSYJWVHKSZYON-UHFFFAOYSA-N 1 0 278.228 -0.184 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@H]1COCC[NH2+]1 ZINC001170046294 820277525 /nfs/dbraw/zinc/27/75/25/820277525.db2.gz XCTHLBZUGROPKY-QMMMGPOBSA-N 1 0 254.246 -0.372 20 5 CBBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)n1)[C@H]1C[NH2+]CCO1 ZINC001170564569 820306291 /nfs/dbraw/zinc/30/62/91/820306291.db2.gz QGHSIZBVLIEVGX-VXNVDRBHSA-N 1 0 295.299 -0.123 20 5 CBBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@H]1C[NH2+]CCO1 ZINC001170565221 820307018 /nfs/dbraw/zinc/30/70/18/820307018.db2.gz UKCPESCBKXOZME-OIBJUYFYSA-N 1 0 295.299 -0.123 20 5 CBBDRO NC(=O)c1ccnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170774871 820317604 /nfs/dbraw/zinc/31/76/04/820317604.db2.gz CIWSBNBTJUSLLY-HTRCEHHLSA-N 1 0 281.272 -0.919 20 5 CBBDRO COc1nc(C)nc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170773673 820318322 /nfs/dbraw/zinc/31/83/22/820318322.db2.gz IYFSVVNHFBAYAI-HTQZYQBOSA-N 1 0 283.288 -0.306 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170773715 820318428 /nfs/dbraw/zinc/31/84/28/820318428.db2.gz PKSQFGFCNWDXED-VXNVDRBHSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1nc(N[C@H]2C[NH2+]C[C@H]2CO)nc(C)c1[N+](=O)[O-] ZINC001170778477 820320703 /nfs/dbraw/zinc/32/07/03/820320703.db2.gz UKVYYNLBMUTULP-YUMQZZPRSA-N 1 0 283.288 -0.306 20 5 CBBDRO CC[C@@]([NH3+])(CO)Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170864889 820331407 /nfs/dbraw/zinc/33/14/07/820331407.db2.gz KBVINBWVZFKCIU-JTQLQIEISA-N 1 0 256.262 -0.237 20 5 CBBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC001195012087 824098585 /nfs/dbraw/zinc/09/85/85/824098585.db2.gz GPABCQXXIZBCKO-CYZMBNFOSA-N 1 0 282.296 -0.087 20 5 CBBDRO COCc1nc(COC(=O)C[C@@H](O)C[N+](C)(C)C)no1 ZINC001222463264 825212847 /nfs/dbraw/zinc/21/28/47/825212847.db2.gz MLYARZLUMSKLBH-SECBINFHSA-N 1 0 288.324 -0.284 20 5 CBBDRO CN(C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C)C1CC1 ZINC001224301287 825236202 /nfs/dbraw/zinc/23/62/02/825236202.db2.gz QTGVMDNONWISFT-LLVKDONJSA-N 1 0 273.353 -0.392 20 5 CBBDRO CCN(C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C)C1CC1 ZINC001224304898 825237249 /nfs/dbraw/zinc/23/72/49/825237249.db2.gz NJFTXSJGZIOHAY-GFCCVEGCSA-N 1 0 287.380 -0.002 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCC1OCCO1 ZINC001224496241 825240027 /nfs/dbraw/zinc/24/00/27/825240027.db2.gz SDZXKYGRSDLQII-SNVBAGLBSA-N 1 0 262.326 -0.250 20 5 CBBDRO CC(=O)O[C@H]1CO[C@@H]2[C@H](OCC[N+](C)(C)C)CO[C@@H]21 ZINC001224774222 825247062 /nfs/dbraw/zinc/24/70/62/825247062.db2.gz OYSBYGCWRXOUBF-YVECIDJPSA-N 1 0 274.337 -0.193 20 5 CBBDRO COC(=O)C1(COC(=O)C[C@@H](O)C[N+](C)(C)C)CC1 ZINC001224976254 825252014 /nfs/dbraw/zinc/25/20/14/825252014.db2.gz VODIHJPYLOYAJK-SNVBAGLBSA-N 1 0 274.337 -0.060 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCN1CCOC1=O ZINC001225062596 825253110 /nfs/dbraw/zinc/25/31/10/825253110.db2.gz IXVDOPNGHKVOHG-SNVBAGLBSA-N 1 0 275.325 -0.561 20 5 CBBDRO COC(=O)c1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)no1 ZINC001226152840 825272725 /nfs/dbraw/zinc/27/27/25/825272725.db2.gz JVDIWCZLDCTCNQ-MRVPVSSYSA-N 1 0 287.292 -0.176 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncncc1F ZINC001226707927 825287256 /nfs/dbraw/zinc/28/72/56/825287256.db2.gz RKXRDFWIYDWYMS-MRVPVSSYSA-N 1 0 258.273 -0.022 20 5 CBBDRO COc1ncc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001228464190 825317111 /nfs/dbraw/zinc/31/71/11/825317111.db2.gz CGAHKJHABTUWCS-MRVPVSSYSA-N 1 0 288.299 -0.013 20 5 CBBDRO COC(=O)c1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ncn1 ZINC001228757233 825322046 /nfs/dbraw/zinc/32/20/46/825322046.db2.gz PGUZPGBSXYWJHQ-SECBINFHSA-N 1 0 298.319 -0.374 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(F)cn1 ZINC001228847219 825323911 /nfs/dbraw/zinc/32/39/11/825323911.db2.gz SBIJMPFOMUCZMX-SECBINFHSA-N 1 0 258.273 -0.022 20 5 CBBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ncn1 ZINC001230026418 825341399 /nfs/dbraw/zinc/34/13/99/825341399.db2.gz CIVPYQUOWOKVNG-SECBINFHSA-N 1 0 270.309 -0.152 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2nc(N)nn2c1 ZINC001234015890 825446656 /nfs/dbraw/zinc/44/66/56/825446656.db2.gz LJMOVBIPSDTVHG-SECBINFHSA-N 1 0 294.335 -0.326 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)N1 ZINC001246153263 825642418 /nfs/dbraw/zinc/64/24/18/825642418.db2.gz RKPLLVOUMDPYOM-GMOBBJLQSA-N 1 0 268.317 -0.401 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246857190 825723044 /nfs/dbraw/zinc/72/30/44/825723044.db2.gz LRQWMLSLTUUOFM-AXFHLTTASA-N 1 0 271.317 -0.121 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCC(O)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001261476118 826520260 /nfs/dbraw/zinc/52/02/60/826520260.db2.gz LKMBOSRVOFHWCA-UHFFFAOYSA-N 1 0 283.288 -0.448 20 5 CBBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001261818840 826587303 /nfs/dbraw/zinc/58/73/03/826587303.db2.gz JDFYHPIHNGKGGK-RKDXNWHRSA-N 1 0 295.299 -0.401 20 5 CBBDRO CCN(CC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273376093 827896231 /nfs/dbraw/zinc/89/62/31/827896231.db2.gz UQNMLRSTFYDRMZ-GHMZBOCLSA-N 1 0 298.343 -0.632 20 5 CBBDRO C[C@@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)C[NH+]2CCC1CC2 ZINC001278805995 828291243 /nfs/dbraw/zinc/29/12/43/828291243.db2.gz LKHVSTXUULGFPM-GFCCVEGCSA-N 1 0 294.315 -0.213 20 5 CBBDRO O=C1NC[C@H](O)CC12CC[NH+](CC[N+](=O)[O-])CC2 ZINC001342066044 889704673 /nfs/dbraw/zinc/70/46/73/889704673.db2.gz CRZAJSUXNZWCIN-SECBINFHSA-N 1 0 257.290 -0.774 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cn(CC[C@H]2CC[NH2+]C2)c1=O ZINC001326052419 884890208 /nfs/dbraw/zinc/89/02/08/884890208.db2.gz QYSGSOCCOLVSSC-MRVPVSSYSA-N 1 0 280.284 -0.145 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCO1 ZINC001326086807 884899677 /nfs/dbraw/zinc/89/96/77/884899677.db2.gz FYGXZEATTGMKTO-VXNVDRBHSA-N 1 0 283.288 -0.484 20 5 CBBDRO C[NH2+][C@H](C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001326276812 884970024 /nfs/dbraw/zinc/97/00/24/884970024.db2.gz YLSQOLLUSNOYHD-SECBINFHSA-N 1 0 282.300 -0.129 20 5 CBBDRO [NH3+]C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001326298412 884978053 /nfs/dbraw/zinc/97/80/53/884978053.db2.gz SJFRLZNYDSFSBP-SECBINFHSA-N 1 0 280.284 -0.436 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001326354524 885001971 /nfs/dbraw/zinc/00/19/71/885001971.db2.gz WXMVNVAHCNJOSB-ZETCQYMHSA-N 1 0 253.262 -0.190 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCC[NH2+]CC1 ZINC001326612125 885088124 /nfs/dbraw/zinc/08/81/24/885088124.db2.gz PDELTMBQFFWZEM-MRVPVSSYSA-N 1 0 268.277 -0.555 20 5 CBBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001326702506 885114895 /nfs/dbraw/zinc/11/48/95/885114895.db2.gz MCGZHRHPFDFFFQ-JGVFFNPUSA-N 1 0 268.277 -0.476 20 5 CBBDRO C[C@@H](CCC[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001327121770 885265605 /nfs/dbraw/zinc/26/56/05/885265605.db2.gz RBOLYYKSTPDXLD-ZETCQYMHSA-N 1 0 256.266 -0.570 20 5 CBBDRO Cc1nn(C)c(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC001328333193 885638223 /nfs/dbraw/zinc/63/82/23/885638223.db2.gz UFIUPAGHDBJZQS-VIFPVBQESA-N 1 0 297.315 -0.255 20 5 CBBDRO Cc1nn(C)c(C(=O)NC[C@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC001328333184 885639792 /nfs/dbraw/zinc/63/97/92/885639792.db2.gz UFIUPAGHDBJZQS-SECBINFHSA-N 1 0 297.315 -0.255 20 5 CBBDRO CN(C[C@@H](O)C[NH3+])C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001328711729 885787051 /nfs/dbraw/zinc/78/70/51/885787051.db2.gz HFWJZTLBZKMAAV-JTQLQIEISA-N 1 0 296.283 -0.689 20 5 CBBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001329139797 885945034 /nfs/dbraw/zinc/94/50/34/885945034.db2.gz AARRHLPWBOXEPD-YWVKMMECSA-N 1 0 297.315 -0.604 20 5 CBBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001329300460 886002996 /nfs/dbraw/zinc/00/29/96/886002996.db2.gz SLAZLLGPIAUOPN-ZETCQYMHSA-N 1 0 253.262 -0.001 20 5 CBBDRO [NH3+]CCc1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC001329432261 886065722 /nfs/dbraw/zinc/06/57/22/886065722.db2.gz DHWLWTOGVCKSRD-UHFFFAOYSA-N 1 0 252.234 -0.082 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC001329483114 886089818 /nfs/dbraw/zinc/08/98/18/886089818.db2.gz JIDJDDCNDJNLRG-JGVFFNPUSA-N 1 0 268.277 -0.618 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001447363203 913062497 /nfs/dbraw/zinc/06/24/97/913062497.db2.gz RLDPXVSKNJEPPK-LBPRGKRZSA-N 1 0 297.315 -0.392 20 5 CBBDRO Cc1nn(C)c(N2CCC([NH3+])(CO)CC2)c1[N+](=O)[O-] ZINC001330999264 886645487 /nfs/dbraw/zinc/64/54/87/886645487.db2.gz YZNMOOMMLQKWAY-UHFFFAOYSA-N 1 0 269.305 -0.073 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001331431708 886807354 /nfs/dbraw/zinc/80/73/54/886807354.db2.gz DMZNQHQHBGYGEY-UWVGGRQHSA-N 1 0 270.289 -0.676 20 5 CBBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001332400401 887260627 /nfs/dbraw/zinc/26/06/27/887260627.db2.gz LMPNPVHULHZWTH-VIFPVBQESA-N 1 0 282.304 -0.356 20 5 CBBDRO C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001332477412 887305844 /nfs/dbraw/zinc/30/58/44/887305844.db2.gz KDFPVPVWZOHNPX-NXEZZACHSA-N 1 0 294.311 -0.035 20 5 CBBDRO [NH3+]CC1(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001332722007 887417914 /nfs/dbraw/zinc/41/79/14/887417914.db2.gz BQEDJWVNQLTGET-UHFFFAOYSA-N 1 0 268.277 -0.569 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(O)(CO)CC1 ZINC001333616669 887720342 /nfs/dbraw/zinc/72/03/42/887720342.db2.gz RMTRBOHJEZPKNX-UHFFFAOYSA-N 1 0 297.311 -0.424 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC2CC1(C[NH3+])C2 ZINC001333636862 887730740 /nfs/dbraw/zinc/73/07/40/887730740.db2.gz ZBRZBRCUZUCDML-UHFFFAOYSA-N 1 0 265.273 -0.108 20 5 CBBDRO NC(=O)c1ccnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC001347396318 890458885 /nfs/dbraw/zinc/45/88/85/890458885.db2.gz SHEQRWOIWTXDTA-YUMQZZPRSA-N 1 0 277.284 -0.256 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1C[NH2+]C1 ZINC001349092415 890759588 /nfs/dbraw/zinc/75/95/88/890759588.db2.gz BJGIOHAHMXYFKB-UHFFFAOYSA-N 1 0 253.262 -0.565 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]([NH3+])C1CC1 ZINC001349156047 890767212 /nfs/dbraw/zinc/76/72/12/890767212.db2.gz OUIMJPAGRYBDBG-ZETCQYMHSA-N 1 0 253.262 -0.205 20 5 CBBDRO [NH3+]CCc1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC001349326158 890796929 /nfs/dbraw/zinc/79/69/29/890796929.db2.gz UQBKNGRZPPCTNJ-UHFFFAOYSA-N 1 0 265.229 -0.311 20 5 CBBDRO C[C@@H](CCCC[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001349417968 890808721 /nfs/dbraw/zinc/80/87/21/890808721.db2.gz LARFHLZEZSQOAM-QMMMGPOBSA-N 1 0 270.293 -0.180 20 5 CBBDRO C[NH2+]CCN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001349419155 890811634 /nfs/dbraw/zinc/81/16/34/890811634.db2.gz YJVFUMGRAZACEI-UHFFFAOYSA-N 1 0 268.273 -0.566 20 5 CBBDRO C[NH2+]C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001350909020 891064419 /nfs/dbraw/zinc/06/44/19/891064419.db2.gz HJQHSFDKIFNWGC-GFCCVEGCSA-N 1 0 283.332 -0.164 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NOC[C@H](C)[NH3+] ZINC001354060468 891506615 /nfs/dbraw/zinc/50/66/15/891506615.db2.gz HUCSALHEDLCCGT-ZETCQYMHSA-N 1 0 271.277 -0.115 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC001460220884 914771908 /nfs/dbraw/zinc/77/19/08/914771908.db2.gz MMWZMIXUJVITPL-SCZZXKLOSA-N 1 0 256.262 -0.924 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC001460220889 914772646 /nfs/dbraw/zinc/77/26/46/914772646.db2.gz MMWZMIXUJVITPL-WPRPVWTQSA-N 1 0 256.262 -0.924 20 5 CBBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840891 915646492 /nfs/dbraw/zinc/64/64/92/915646492.db2.gz KSJLKKYAMLQOCF-SFYZADRCSA-N 1 0 280.288 -0.355 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001473538942 915831427 /nfs/dbraw/zinc/83/14/27/915831427.db2.gz ZVCKJVAZXZSONQ-GXSJLCMTSA-N 1 0 283.284 -0.959 20 5 CBBDRO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnnn1C ZINC001492949971 919454673 /nfs/dbraw/zinc/45/46/73/919454673.db2.gz DPNVTVAGDZXIHB-GHMZBOCLSA-N 1 0 296.331 -0.582 20 5 CBBDRO COCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497584160 920345251 /nfs/dbraw/zinc/34/52/51/920345251.db2.gz OPCVNNMRKUAQCI-HLKOZVMDSA-N 1 0 257.290 -0.440 20 5 CBBDRO C[NH+](C)CCOCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001546317127 923340278 /nfs/dbraw/zinc/34/02/78/923340278.db2.gz DXBKCMVQZXBQPX-UHFFFAOYSA-N 1 0 285.304 -0.514 20 5 CBBDRO Cc1nn(C)c(C(=O)NCC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC001559032452 924210406 /nfs/dbraw/zinc/21/04/06/924210406.db2.gz VFELDLKKJOAGSL-UHFFFAOYSA-N 1 0 285.304 -0.709 20 5 CBBDRO C[C@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000125627092 187194111 /nfs/dbraw/zinc/19/41/11/187194111.db2.gz XFWDKEFPGLIUNT-VIFPVBQESA-N 1 0 280.284 -0.423 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000351829758 219219271 /nfs/dbraw/zinc/21/92/71/219219271.db2.gz OUCPNSDKJRVRLX-BDAKNGLRSA-N 1 0 267.289 -0.013 20 5 CBBDRO O=C(NCCNc1cc[nH+]cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351964895 219267038 /nfs/dbraw/zinc/26/70/38/219267038.db2.gz QNOBBUPWNUTEFM-UHFFFAOYSA-N 1 0 276.256 -0.023 20 5 CBBDRO CC[N@H+](C[C@H](C)O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352233369 219377327 /nfs/dbraw/zinc/37/73/27/219377327.db2.gz YDVRWVYYOVPLSP-ONGXEEELSA-N 1 0 272.305 -0.145 20 5 CBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)C[NH3+] ZINC000037629004 351401201 /nfs/dbraw/zinc/40/12/01/351401201.db2.gz QSPWXDXZVZLNDB-UHFFFAOYSA-N 1 0 266.257 -0.083 20 5 CBBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)C[NH3+] ZINC000037810275 351407003 /nfs/dbraw/zinc/40/70/03/351407003.db2.gz OAWHNLHXEMRHNJ-UHFFFAOYSA-N 1 0 280.284 -0.372 20 5 CBBDRO COC[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037875210 351409909 /nfs/dbraw/zinc/40/99/09/351409909.db2.gz MKGNXYGJCLIBFP-SCZZXKLOSA-N 1 0 258.278 -0.223 20 5 CBBDRO CC[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037888172 351410400 /nfs/dbraw/zinc/41/04/00/351410400.db2.gz OHTZDYFKOQFSTR-WPRPVWTQSA-N 1 0 258.278 -0.487 20 5 CBBDRO C[NH+](C)CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000048438989 351472623 /nfs/dbraw/zinc/47/26/23/351472623.db2.gz IDWQCAIULVKAJV-UHFFFAOYSA-N 1 0 254.246 -0.583 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[NH+]1CCCCC1 ZINC000048892497 351481925 /nfs/dbraw/zinc/48/19/25/351481925.db2.gz TUCNTFHYTYUHEJ-UHFFFAOYSA-N 1 0 282.304 -0.212 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCn2cccn2)c1 ZINC000049076336 351485203 /nfs/dbraw/zinc/48/52/03/351485203.db2.gz CHGCKZXXBNRQNL-NSHDSACASA-N 1 0 280.288 -0.362 20 5 CBBDRO Cn1nccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000071333775 351643160 /nfs/dbraw/zinc/64/31/60/351643160.db2.gz FEWPFBQTLIZMTN-LLVKDONJSA-N 1 0 280.288 -0.325 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000071304736 351643195 /nfs/dbraw/zinc/64/31/95/351643195.db2.gz LULOMGOMDYMRDL-WDEREUQCSA-N 1 0 270.289 -0.487 20 5 CBBDRO CC(C)C[N@@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075624272 351668954 /nfs/dbraw/zinc/66/89/54/351668954.db2.gz QPKAMBIYBOAGIQ-LLVKDONJSA-N 1 0 299.331 -0.405 20 5 CBBDRO COCC[N@H+](C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269997 351676000 /nfs/dbraw/zinc/67/60/00/351676000.db2.gz MNBXFYFHTGGXOG-UHFFFAOYSA-N 1 0 270.293 -0.043 20 5 CBBDRO C[C@@H](CO)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000086631478 351720450 /nfs/dbraw/zinc/72/04/50/351720450.db2.gz SVJSQCXZWBDCHG-PSASIEDQSA-N 1 0 258.278 -0.630 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](O)C1 ZINC000090526213 351740721 /nfs/dbraw/zinc/74/07/21/351740721.db2.gz MFSIIPOHSDZWMB-SNVBAGLBSA-N 1 0 253.258 -0.177 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107571773 351795339 /nfs/dbraw/zinc/79/53/39/351795339.db2.gz YBKMFZCAVOLJOE-OCAPTIKFSA-N 1 0 277.284 -0.256 20 5 CBBDRO NC(=O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866669 351829933 /nfs/dbraw/zinc/82/99/33/351829933.db2.gz ODPYATZYLOEAAH-MRVPVSSYSA-N 1 0 265.273 -0.039 20 5 CBBDRO C[NH+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000114674954 351818299 /nfs/dbraw/zinc/81/82/99/351818299.db2.gz KKPFVNGOCLLDJY-UHFFFAOYSA-N 1 0 282.300 -0.176 20 5 CBBDRO CC(C)[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000124821170 351856466 /nfs/dbraw/zinc/85/64/66/351856466.db2.gz ISXYKLSKARLBER-GHMZBOCLSA-N 1 0 272.305 -0.241 20 5 CBBDRO C[C@]1(O)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000124082434 187121579 /nfs/dbraw/zinc/12/15/79/187121579.db2.gz ICPORKCTRWXGMI-RYUDHWBXSA-N 1 0 284.316 -0.001 20 5 CBBDRO C[C@H](CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000132961183 351896164 /nfs/dbraw/zinc/89/61/64/351896164.db2.gz OZFZTGIYSMVMKZ-SCZZXKLOSA-N 1 0 258.278 -0.487 20 5 CBBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])o1 ZINC000134257611 351904236 /nfs/dbraw/zinc/90/42/36/351904236.db2.gz QMYAQZUYQNFIHF-SSDOTTSWSA-N 1 0 255.230 -0.094 20 5 CBBDRO COCCN(CCn1ccc([N+](=O)[O-])n1)[C@H](C)C(N)=O ZINC000176235052 352063218 /nfs/dbraw/zinc/06/32/18/352063218.db2.gz ZVQNJJAJYDSKMM-SECBINFHSA-N 1 0 285.304 -0.387 20 5 CBBDRO CN(CCn1ccc([N+](=O)[O-])n1)CC(=O)N1CCOCC1 ZINC000176238361 352063659 /nfs/dbraw/zinc/06/36/59/352063659.db2.gz VVLKFZKVAHNZPX-UHFFFAOYSA-N 1 0 297.315 -0.418 20 5 CBBDRO CC(C)(CC(N)=O)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000186210453 352125389 /nfs/dbraw/zinc/12/53/89/352125389.db2.gz QGKVKOOMSVLLKO-VIFPVBQESA-N 1 0 285.304 -0.604 20 5 CBBDRO C[NH2+]C[C@H](C)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179170170 352088488 /nfs/dbraw/zinc/08/84/88/352088488.db2.gz JNDAKVDYQBEPHK-QMMMGPOBSA-N 1 0 255.278 -0.237 20 5 CBBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000185196944 352117343 /nfs/dbraw/zinc/11/73/43/352117343.db2.gz YIWORVQUTBKBER-AEJSXWLSSA-N 1 0 279.300 -0.013 20 5 CBBDRO COc1c(F)cc(S(=O)(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000193226109 352203842 /nfs/dbraw/zinc/20/38/42/352203842.db2.gz GKWZRTJBTSXIMD-UHFFFAOYSA-N 1 0 293.276 -0.021 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195218847 352223536 /nfs/dbraw/zinc/22/35/36/352223536.db2.gz CFKMFXBMHFVNPF-AOOOYVTPSA-N 1 0 292.295 -0.566 20 5 CBBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000228591343 352264052 /nfs/dbraw/zinc/26/40/52/352264052.db2.gz WEWOCMRRHJGYPW-FXPVBKGRSA-N 1 0 272.305 -0.241 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000228748619 352265315 /nfs/dbraw/zinc/26/53/15/352265315.db2.gz BSWHYYOBMLFVTM-LBPRGKRZSA-N 1 0 284.316 -0.024 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000228790051 352265501 /nfs/dbraw/zinc/26/55/01/352265501.db2.gz KJWFJWCMWFGLJX-GFCCVEGCSA-N 1 0 298.299 -0.262 20 5 CBBDRO CO[C@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000224205432 352245926 /nfs/dbraw/zinc/24/59/26/352245926.db2.gz BATXTIORLAMSPX-SCZZXKLOSA-N 1 0 258.278 -0.223 20 5 CBBDRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000231849571 352277934 /nfs/dbraw/zinc/27/79/34/352277934.db2.gz HVSMZXRAPYCNQJ-ONGXEEELSA-N 1 0 299.331 -0.391 20 5 CBBDRO COC[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)OC ZINC000234700027 352283349 /nfs/dbraw/zinc/28/33/49/352283349.db2.gz CVKGAJNIZCEQDG-WDEREUQCSA-N 1 0 288.304 -0.597 20 5 CBBDRO CCC[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000236775216 352293405 /nfs/dbraw/zinc/29/34/05/352293405.db2.gz KJBIVNANZOAJDU-UHFFFAOYSA-N 1 0 282.300 -0.128 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[NH2+]1 ZINC000237442322 352305242 /nfs/dbraw/zinc/30/52/42/352305242.db2.gz ACUVQDZZCZTGAN-ZJUUUORDSA-N 1 0 294.311 -0.035 20 5 CBBDRO [NH3+]CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237950444 352312199 /nfs/dbraw/zinc/31/21/99/352312199.db2.gz RGRWFGZPJPEGHB-UHFFFAOYSA-N 1 0 298.324 -0.101 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[NH2+]C1CC1 ZINC000238142763 352314630 /nfs/dbraw/zinc/31/46/30/352314630.db2.gz NFMIDFYNTSZFOA-UHFFFAOYSA-N 1 0 280.284 -0.375 20 5 CBBDRO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246234360 352330250 /nfs/dbraw/zinc/33/02/50/352330250.db2.gz QQBJQCRHYZULCL-MWLCHTKSSA-N 1 0 299.331 -0.534 20 5 CBBDRO C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000246650029 352335612 /nfs/dbraw/zinc/33/56/12/352335612.db2.gz DBILEVYEHUGMJI-GXSJLCMTSA-N 1 0 270.289 -0.127 20 5 CBBDRO CC[NH2+][C@H](C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262499218 352424550 /nfs/dbraw/zinc/42/45/50/352424550.db2.gz XPXXRRBVHZVBTR-SECBINFHSA-N 1 0 282.300 -0.129 20 5 CBBDRO COCC[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000262090875 352406453 /nfs/dbraw/zinc/40/64/53/352406453.db2.gz GVUKXKJIVDQSBT-UHFFFAOYSA-N 1 0 285.304 -0.548 20 5 CBBDRO C[C@]1(C[NH3+])CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000262137116 352408067 /nfs/dbraw/zinc/40/80/67/352408067.db2.gz WYPJTVRZZLUKJT-LLVKDONJSA-N 1 0 267.289 -0.011 20 5 CBBDRO C[NH2+][C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000269133905 352462320 /nfs/dbraw/zinc/46/23/20/352462320.db2.gz PMFNBKGYUDHGAP-VIFPVBQESA-N 1 0 280.284 -0.423 20 5 CBBDRO C[NH+](C)C1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000270872719 352503727 /nfs/dbraw/zinc/50/37/27/352503727.db2.gz WLYMQOHJOGTGPR-UHFFFAOYSA-N 1 0 253.262 -0.436 20 5 CBBDRO C[C@]1(C(N)=O)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000280820584 352598455 /nfs/dbraw/zinc/59/84/55/352598455.db2.gz USWZXVQKSIMFDJ-NSHDSACASA-N 1 0 267.289 -0.011 20 5 CBBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]2C1 ZINC000287189430 352653641 /nfs/dbraw/zinc/65/36/41/352653641.db2.gz TVNGTLHZFMPMHD-OCAPTIKFSA-N 1 0 265.273 -0.049 20 5 CBBDRO COC[C@@H]1CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516161 352693499 /nfs/dbraw/zinc/69/34/99/352693499.db2.gz IJIWMWSMMXDVDX-ONGXEEELSA-N 1 0 270.289 -0.127 20 5 CBBDRO C[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298843174 352716014 /nfs/dbraw/zinc/71/60/14/352716014.db2.gz IXBGWDJJBPZUFO-UHFFFAOYSA-N 1 0 281.316 -0.100 20 5 CBBDRO COC[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)OC ZINC000300562858 352734056 /nfs/dbraw/zinc/73/40/56/352734056.db2.gz CVKGAJNIZCEQDG-QWRGUYRKSA-N 1 0 288.304 -0.597 20 5 CBBDRO CC(C)(O)C[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301182004 352735353 /nfs/dbraw/zinc/73/53/53/352735353.db2.gz ZYQUNYHYRCDJCL-UHFFFAOYSA-N 1 0 296.331 -0.140 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+](C3CC3)CC2)c1 ZINC000304320088 352746239 /nfs/dbraw/zinc/74/62/39/352746239.db2.gz QDUXAPYDCPIJIA-CYBMUJFWSA-N 1 0 295.343 -0.068 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C1CC1 ZINC000304788099 352747774 /nfs/dbraw/zinc/74/77/74/352747774.db2.gz QBJUAQXSWKBRAO-NEPJUHHUSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000305764400 352750561 /nfs/dbraw/zinc/75/05/61/352750561.db2.gz PHAHWUNPXZMYNF-ADEWGFFLSA-N 1 0 284.316 -0.145 20 5 CBBDRO CN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330580913 352851904 /nfs/dbraw/zinc/85/19/04/352851904.db2.gz UHLLGGPUYRUMEP-UHFFFAOYSA-N 1 0 255.278 -0.038 20 5 CBBDRO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CCO ZINC000331120247 352880013 /nfs/dbraw/zinc/88/00/13/352880013.db2.gz AOPWUHCJRVHMNN-JTQLQIEISA-N 1 0 283.332 -0.173 20 5 CBBDRO Cc1n[nH]c(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000337447397 353083924 /nfs/dbraw/zinc/08/39/24/353083924.db2.gz JBCGOUQWAGSEMD-LLVKDONJSA-N 1 0 285.304 -0.331 20 5 CBBDRO COCCC[N@H+](C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000152525036 188025804 /nfs/dbraw/zinc/02/58/04/188025804.db2.gz NJTKBDFLUCLILP-UHFFFAOYSA-N 1 0 299.331 -0.124 20 5 CBBDRO [NH3+]C1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000342602436 353224033 /nfs/dbraw/zinc/22/40/33/353224033.db2.gz HZTASDAHNKDOLR-UHFFFAOYSA-N 1 0 253.262 -0.211 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000155082003 188181099 /nfs/dbraw/zinc/18/10/99/188181099.db2.gz DOMTVSKALZADEV-QMMMGPOBSA-N 1 0 267.289 -0.080 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1C[NH+]2CCC1CC2 ZINC000347956974 353401813 /nfs/dbraw/zinc/40/18/13/353401813.db2.gz UMEJMDZMYCQPTK-JTQLQIEISA-N 1 0 294.315 -0.261 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCNc1cc[nH+]cc1 ZINC000347978790 353402816 /nfs/dbraw/zinc/40/28/16/353402816.db2.gz OEDMCTWGAOAKJH-UHFFFAOYSA-N 1 0 290.283 -0.013 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CC[NH3+] ZINC000349918100 353467900 /nfs/dbraw/zinc/46/79/00/353467900.db2.gz UEHCSCBONSRTFH-ZETCQYMHSA-N 1 0 255.278 -0.047 20 5 CBBDRO CCn1cc(S(=O)(=O)NCCC[NH2+]C)c([N+](=O)[O-])n1 ZINC000353253003 353530251 /nfs/dbraw/zinc/53/02/51/353530251.db2.gz PCVVZTRDKOSAGR-UHFFFAOYSA-N 1 0 291.333 -0.301 20 5 CBBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353960101 353536541 /nfs/dbraw/zinc/53/65/41/353536541.db2.gz MUQOHMCTLVAPCV-MRVPVSSYSA-N 1 0 268.277 -0.603 20 5 CBBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354093635 353543316 /nfs/dbraw/zinc/54/33/16/353543316.db2.gz SJBPYLDMVLFNEI-UHFFFAOYSA-N 1 0 282.304 -0.261 20 5 CBBDRO C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354727481 353581095 /nfs/dbraw/zinc/58/10/95/353581095.db2.gz WAJFFOZGONYQDR-UHFFFAOYSA-N 1 0 271.277 -0.374 20 5 CBBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000355160571 353588420 /nfs/dbraw/zinc/58/84/20/353588420.db2.gz FXADWVZKVXORBR-VIFPVBQESA-N 1 0 297.315 -0.153 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000358324665 353638170 /nfs/dbraw/zinc/63/81/70/353638170.db2.gz UUEDIVCJUNDTAM-SNVBAGLBSA-N 1 0 253.262 -0.137 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(O)(C3CC3)C2)c1 ZINC000372689281 353721093 /nfs/dbraw/zinc/72/10/93/353721093.db2.gz DACUBDPAYUXBPB-NSHDSACASA-N 1 0 282.300 -0.391 20 5 CBBDRO CCOC(=O)C1(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000374642191 353747941 /nfs/dbraw/zinc/74/79/41/353747941.db2.gz BQHMJFCJEZIUDV-UWVGGRQHSA-N 1 0 299.327 -0.205 20 5 CBBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000408145354 353858327 /nfs/dbraw/zinc/85/83/27/353858327.db2.gz RSWQYSBIWCNDFB-NXEZZACHSA-N 1 0 294.315 -0.261 20 5 CBBDRO COC(=O)N1CC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000496420232 354544814 /nfs/dbraw/zinc/54/48/14/354544814.db2.gz SJQJERDGWLIVGI-SNVBAGLBSA-N 1 0 299.287 -0.808 20 5 CBBDRO COC(=O)CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000519545475 354562585 /nfs/dbraw/zinc/56/25/85/354562585.db2.gz VEYCOSGLYYGMBQ-SNVBAGLBSA-N 1 0 286.288 -0.305 20 5 CBBDRO C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000546103500 354651289 /nfs/dbraw/zinc/65/12/89/354651289.db2.gz CQLVOSLTFGABDJ-VXGBXAGGSA-N 1 0 284.316 -0.001 20 5 CBBDRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000563132869 354698041 /nfs/dbraw/zinc/69/80/41/354698041.db2.gz QYOMZIQYHQCJLD-LJGSYFOKSA-N 1 0 272.286 -0.242 20 5 CBBDRO O=C(COC1CC[NH2+]CC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000564796342 354716740 /nfs/dbraw/zinc/71/67/40/354716740.db2.gz FOGOPZWDDZTQMK-UHFFFAOYSA-N 1 0 297.315 -0.324 20 5 CBBDRO Cc1cc(=O)n(CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000567808708 354798333 /nfs/dbraw/zinc/79/83/33/354798333.db2.gz ZXEAXONZQXJJLB-UHFFFAOYSA-N 1 0 266.301 -0.030 20 5 CBBDRO CO[C@H](C[NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000568393331 354823474 /nfs/dbraw/zinc/82/34/74/354823474.db2.gz SVOAPLAXLCRSLM-LLVKDONJSA-N 1 0 280.284 -0.152 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[NH2+]C1CC1 ZINC000568636112 354828833 /nfs/dbraw/zinc/82/88/33/354828833.db2.gz RVUBTDHHNXBTTA-UHFFFAOYSA-N 1 0 268.277 -0.555 20 5 CBBDRO CO[C@@H]1COC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000568997316 354835936 /nfs/dbraw/zinc/83/59/36/354835936.db2.gz KZJNHTNFCNEYKR-NXEZZACHSA-N 1 0 256.262 -0.205 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000569358662 354843291 /nfs/dbraw/zinc/84/32/91/354843291.db2.gz FYQFGZBAIWBZBH-YUMQZZPRSA-N 1 0 265.273 -0.001 20 5 CBBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NC1C[NH2+]C1 ZINC000569822289 354846950 /nfs/dbraw/zinc/84/69/50/354846950.db2.gz DIYDAVVUISCTOP-UHFFFAOYSA-N 1 0 292.295 -0.659 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1O ZINC000573653701 354917329 /nfs/dbraw/zinc/91/73/29/354917329.db2.gz RQLIIXHWGOLERK-UWVGGRQHSA-N 1 0 268.273 -0.330 20 5 CBBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])CCN2C1=O ZINC000578787364 354955448 /nfs/dbraw/zinc/95/54/48/354955448.db2.gz MHXXJTGEGNADMQ-RKDXNWHRSA-N 1 0 277.284 -0.262 20 5 CBBDRO Cc1nn(C)c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000579528883 354972056 /nfs/dbraw/zinc/97/20/56/354972056.db2.gz MGOGTQVIRQEJMG-IUCAKERBSA-N 1 0 297.315 -0.616 20 5 CBBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579832663 354979898 /nfs/dbraw/zinc/97/98/98/354979898.db2.gz NMJSUWCNKFUHGB-DTORHVGOSA-N 1 0 298.324 -0.170 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000580191612 354990090 /nfs/dbraw/zinc/99/00/90/354990090.db2.gz QCRCCEUNBDZOIE-RNFRBKRXSA-N 1 0 291.333 -0.175 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590369690 355076139 /nfs/dbraw/zinc/07/61/39/355076139.db2.gz KDGOVCGGECQMOS-QMMMGPOBSA-N 1 0 268.273 -0.358 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1O ZINC000590553668 355083340 /nfs/dbraw/zinc/08/33/40/355083340.db2.gz ICCKVMVIGYCHKS-YUMQZZPRSA-N 1 0 269.257 -0.065 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000588863670 355061948 /nfs/dbraw/zinc/06/19/48/355061948.db2.gz BIZLZDCHSJZIEZ-VIFPVBQESA-N 1 0 285.304 -0.780 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CO)C[NH+](C)C ZINC000588864658 355062117 /nfs/dbraw/zinc/06/21/17/355062117.db2.gz LTCFJBHFTYCSHL-JTQLQIEISA-N 1 0 299.331 -0.471 20 5 CBBDRO Cc1n[nH]c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000588867574 355062183 /nfs/dbraw/zinc/06/21/83/355062183.db2.gz XLEWPKZLXYROJP-SECBINFHSA-N 1 0 297.315 -0.187 20 5 CBBDRO Cc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000591740911 355112157 /nfs/dbraw/zinc/11/21/57/355112157.db2.gz GHZPSIGBJUBOMO-LLVKDONJSA-N 1 0 280.288 -0.026 20 5 CBBDRO O=C1NCCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591735406 355112308 /nfs/dbraw/zinc/11/23/08/355112308.db2.gz YYVMPAMLMHFOKS-ONGXEEELSA-N 1 0 297.315 -0.732 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cn[nH]c2)c1 ZINC000591771756 355113649 /nfs/dbraw/zinc/11/36/49/355113649.db2.gz HPSRATDASSWUHG-NSHDSACASA-N 1 0 280.288 -0.292 20 5 CBBDRO C[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000592546921 355160834 /nfs/dbraw/zinc/16/08/34/355160834.db2.gz LMOOXYCHDGUNFF-ZETCQYMHSA-N 1 0 254.246 -0.780 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592570576 355166382 /nfs/dbraw/zinc/16/63/82/355166382.db2.gz OEEGJQJWTJMLHK-VIFPVBQESA-N 1 0 294.315 -0.023 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308922 355147354 /nfs/dbraw/zinc/14/73/54/355147354.db2.gz PBTBEQLXPPPXTA-XPUUQOCRSA-N 1 0 283.288 -0.185 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCO1 ZINC000592306040 355147519 /nfs/dbraw/zinc/14/75/19/355147519.db2.gz AETYQTSJRNNJKM-GMSGAONNSA-N 1 0 296.283 -0.116 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592308958 355147593 /nfs/dbraw/zinc/14/75/93/355147593.db2.gz PHBNDTVNNFTAOA-SCZZXKLOSA-N 1 0 297.315 -0.326 20 5 CBBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000592365773 355150049 /nfs/dbraw/zinc/15/00/49/355150049.db2.gz CPAZHEYSVFXBEJ-SSDOTTSWSA-N 1 0 272.286 -0.370 20 5 CBBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592369369 355150073 /nfs/dbraw/zinc/15/00/73/355150073.db2.gz UIWLJWHJIITMRP-SSDOTTSWSA-N 1 0 274.302 -0.043 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)CO ZINC000592430496 355152604 /nfs/dbraw/zinc/15/26/04/355152604.db2.gz UVOYBECDTVDNPI-VHSXEESVSA-N 1 0 286.284 -0.723 20 5 CBBDRO CN(CCN1CC[NH2+]CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000592469511 355155536 /nfs/dbraw/zinc/15/55/36/355155536.db2.gz SHZVSSDVBGWAJH-UHFFFAOYSA-N 1 0 296.331 -0.845 20 5 CBBDRO [NH3+]C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000594451930 355248733 /nfs/dbraw/zinc/24/87/33/355248733.db2.gz TYMVPMZLHATBRY-ZCFIWIBFSA-N 1 0 281.194 -0.203 20 5 CBBDRO C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595103082 355271643 /nfs/dbraw/zinc/27/16/43/355271643.db2.gz WMSUWFOOHIAOMG-UHFFFAOYSA-N 1 0 260.275 -0.513 20 5 CBBDRO CC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595102340 355271737 /nfs/dbraw/zinc/27/17/37/355271737.db2.gz KCAMVWDLPRNAPS-UHFFFAOYSA-N 1 0 274.302 -0.122 20 5 CBBDRO C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1[NH3+] ZINC000595228884 355273841 /nfs/dbraw/zinc/27/38/41/355273841.db2.gz PNLPPQDZMNQTNB-SFYZADRCSA-N 1 0 268.277 -0.618 20 5 CBBDRO CC(C)[C@H]([NH3+])CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000595988082 355336513 /nfs/dbraw/zinc/33/65/13/355336513.db2.gz NYIFOJSMPGKWGN-MRVPVSSYSA-N 1 0 270.293 -0.324 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000595990714 355336544 /nfs/dbraw/zinc/33/65/44/355336544.db2.gz DAKWXTIRXJIDDP-NSHDSACASA-N 1 0 267.289 -0.032 20 5 CBBDRO O=C(NCC12CC(C1)C[NH2+]2)c1[nH]ncc1[N+](=O)[O-] ZINC000595946663 355324457 /nfs/dbraw/zinc/32/44/57/355324457.db2.gz MJROBTSNMKMLHV-UHFFFAOYSA-N 1 0 251.246 -0.200 20 5 CBBDRO [NH3+]C1(CC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000595954807 355327267 /nfs/dbraw/zinc/32/72/67/355327267.db2.gz CDKXRLCQQLTBPV-UHFFFAOYSA-N 1 0 253.262 -0.211 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000596067400 355340220 /nfs/dbraw/zinc/34/02/20/355340220.db2.gz MDDMCLFZYYKAAL-SZEHBUNVSA-N 1 0 256.262 -0.735 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596104978 355344233 /nfs/dbraw/zinc/34/42/33/355344233.db2.gz KTBWNECDMLSYCN-UHFFFAOYSA-N 1 0 294.267 -0.490 20 5 CBBDRO C[NH+](C)C[C@@H](CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596242365 355350366 /nfs/dbraw/zinc/35/03/66/355350366.db2.gz FVTRKAHVPPICSZ-ZETCQYMHSA-N 1 0 283.288 -0.577 20 5 CBBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596580990 355358960 /nfs/dbraw/zinc/35/89/60/355358960.db2.gz URGVTJXFRDAOCN-UHFFFAOYSA-N 1 0 292.295 -0.009 20 5 CBBDRO C[C@H](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+](C)C ZINC000597992944 355426583 /nfs/dbraw/zinc/42/65/83/355426583.db2.gz PUGFYRGFIQTPOB-MRVPVSSYSA-N 1 0 270.293 -0.357 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000598165521 355433575 /nfs/dbraw/zinc/43/35/75/355433575.db2.gz YFWFVSQZDSTKKR-UHFFFAOYSA-N 1 0 294.311 -0.224 20 5 CBBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097726 355463323 /nfs/dbraw/zinc/46/33/23/355463323.db2.gz LXUSTELOEWRECY-SSDOTTSWSA-N 1 0 289.317 -0.689 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)n1 ZINC000599096908 355463399 /nfs/dbraw/zinc/46/33/99/355463399.db2.gz AYGHZJISBPBBSY-ZETCQYMHSA-N 1 0 289.317 -0.656 20 5 CBBDRO CCN(CC[NH3+])S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000599098614 355464303 /nfs/dbraw/zinc/46/43/03/355464303.db2.gz NNGYVHFAXCESMK-UHFFFAOYSA-N 1 0 291.333 -0.220 20 5 CBBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599102703 355464387 /nfs/dbraw/zinc/46/43/87/355464387.db2.gz SPEGFUOMTTXVGV-LURJTMIESA-N 1 0 277.306 -0.786 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]([NH3+])C2CC2)n1 ZINC000599100510 355464587 /nfs/dbraw/zinc/46/45/87/355464587.db2.gz JFSOUURJTPLOQU-ZETCQYMHSA-N 1 0 289.317 -0.656 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+](C)C)n1 ZINC000599203696 355472316 /nfs/dbraw/zinc/47/23/16/355472316.db2.gz OGTLQGRFOFKIMV-UHFFFAOYSA-N 1 0 291.333 -0.442 20 5 CBBDRO Cn1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602495844 355654067 /nfs/dbraw/zinc/65/40/67/355654067.db2.gz XXTQEJHTVVXWOV-IUCAKERBSA-N 1 0 251.290 -0.021 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590411 355663028 /nfs/dbraw/zinc/66/30/28/355663028.db2.gz HILMUUHJHURXBO-OCAPTIKFSA-N 1 0 265.273 -0.095 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588663 355663079 /nfs/dbraw/zinc/66/30/79/355663079.db2.gz NSHQZTQMYJZTJZ-IUCAKERBSA-N 1 0 265.273 -0.246 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603086605 355695854 /nfs/dbraw/zinc/69/58/54/355695854.db2.gz LTNZHBNIFDUZSD-BXKDBHETSA-N 1 0 265.269 -0.177 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCO1 ZINC000603430545 355715198 /nfs/dbraw/zinc/71/51/98/355715198.db2.gz SWFWDGZHXBDSIM-WPRPVWTQSA-N 1 0 269.305 -0.124 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](C2CCC2)CC1 ZINC000609594574 355771252 /nfs/dbraw/zinc/77/12/52/355771252.db2.gz RYEIYACOKYGTRA-UHFFFAOYSA-N 1 0 294.315 -0.117 20 5 CBBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714623 355786046 /nfs/dbraw/zinc/78/60/46/355786046.db2.gz ZZTGSHMQWFOHBW-WPRPVWTQSA-N 1 0 294.315 -0.215 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000618923310 356200436 /nfs/dbraw/zinc/20/04/36/356200436.db2.gz DUSQOWXTTWKDNS-GFCCVEGCSA-N 1 0 297.315 -0.153 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[NH2+]C1 ZINC000178485133 189120063 /nfs/dbraw/zinc/12/00/63/189120063.db2.gz DIGRMWRHPOZVGE-SECBINFHSA-N 1 0 267.289 -0.093 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179071498 189166269 /nfs/dbraw/zinc/16/62/69/189166269.db2.gz KIFMIIOSUURAKD-VIFPVBQESA-N 1 0 267.289 -0.080 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[N@@H+]1CCCOCC1 ZINC000275916326 193161269 /nfs/dbraw/zinc/16/12/69/193161269.db2.gz UJLBEGPMXFRPTM-UHFFFAOYSA-N 1 0 297.315 -0.370 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343690133 216877889 /nfs/dbraw/zinc/87/78/89/216877889.db2.gz MPAFWABBOKDDGM-SECBINFHSA-N 1 0 294.315 -0.562 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331623641 204021479 /nfs/dbraw/zinc/02/14/79/204021479.db2.gz HCOBVCJEAAOKIO-ZJUUUORDSA-N 1 0 294.315 -0.071 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(O)CCC1 ZINC000353476710 220104568 /nfs/dbraw/zinc/10/45/68/220104568.db2.gz AOHKSUCXMMFOHC-LLVKDONJSA-N 1 0 284.316 -0.001 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000360842331 373240326 /nfs/dbraw/zinc/24/03/26/373240326.db2.gz WDOGQGQFTYQLSL-NSHDSACASA-N 1 0 283.288 -0.875 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363269612 373485641 /nfs/dbraw/zinc/48/56/41/373485641.db2.gz JCZRKHNBUPKMLK-ZNSHCXBVSA-N 1 0 269.301 -0.369 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000514601761 373755679 /nfs/dbraw/zinc/75/56/79/373755679.db2.gz AXOVXAMDKPXSJQ-RQJHMYQMSA-N 1 0 255.278 -0.048 20 5 CBBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000583752724 374364817 /nfs/dbraw/zinc/36/48/17/374364817.db2.gz ZUCUZBJYNSMJHQ-ZETCQYMHSA-N 1 0 291.333 -0.173 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000356208538 248213448 /nfs/dbraw/zinc/21/34/48/248213448.db2.gz DYZADRBFANCGIF-VIFPVBQESA-N 1 0 297.315 -0.269 20 5 CBBDRO COC[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000357277303 248342524 /nfs/dbraw/zinc/34/25/24/248342524.db2.gz VXVHOYJLDYZASP-GFCCVEGCSA-N 1 0 297.315 -0.324 20 5 CBBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357366464 248353151 /nfs/dbraw/zinc/35/31/51/248353151.db2.gz RXGBYPYSXXQNMX-SECBINFHSA-N 1 0 282.304 -0.084 20 5 CBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264760377 190133335 /nfs/dbraw/zinc/13/33/35/190133335.db2.gz OESDHOYVTCPNHJ-VIFPVBQESA-N 1 0 281.316 -0.102 20 5 CBBDRO COC[C@@](C)([NH3+])CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000265078984 190156096 /nfs/dbraw/zinc/15/60/96/190156096.db2.gz ZOZQRGCWYFWXRH-VIFPVBQESA-N 1 0 256.266 -0.257 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[NH+]2[C@H](CO)CC[C@H]2CO)n1 ZINC000347292531 218180600 /nfs/dbraw/zinc/18/06/00/218180600.db2.gz BVFQCQLCIXKUOK-UWVGGRQHSA-N 1 0 270.289 -0.391 20 5 CBBDRO NC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000347399439 218221664 /nfs/dbraw/zinc/22/16/64/218221664.db2.gz KGOFNJUQAGZTAG-UHFFFAOYSA-N 1 0 272.286 -0.148 20 5 CBBDRO CC[N@H+](CCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266604369 190270487 /nfs/dbraw/zinc/27/04/87/190270487.db2.gz XXUVZKYQRSAQRE-LLVKDONJSA-N 1 0 272.305 -0.144 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347793265 218358971 /nfs/dbraw/zinc/35/89/71/218358971.db2.gz NQSZFRQHAZYAKQ-UHFFFAOYSA-N 1 0 284.316 -0.023 20 5 CBBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155547966 207384099 /nfs/dbraw/zinc/38/40/99/207384099.db2.gz VTTVXAWGLWVONM-DTORHVGOSA-N 1 0 282.304 -0.263 20 5 CBBDRO Cc1n[nH]c(C(=O)NCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000428647369 208094097 /nfs/dbraw/zinc/09/40/97/208094097.db2.gz YROFBCJSTUUVNT-UHFFFAOYSA-N 1 0 282.304 -0.739 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000428655962 208095249 /nfs/dbraw/zinc/09/52/49/208095249.db2.gz OAOMKZRVUWBEFO-SECBINFHSA-N 1 0 267.289 -0.032 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000429318706 208118588 /nfs/dbraw/zinc/11/85/88/208118588.db2.gz RZJNNSWJGIJHQP-ZETCQYMHSA-N 1 0 254.250 -0.993 20 5 CBBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000432525458 208226667 /nfs/dbraw/zinc/22/66/67/208226667.db2.gz HUBKPESWBGIUOQ-SCZZXKLOSA-N 1 0 267.289 -0.095 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)C2CCC2)c1 ZINC000439270732 208323279 /nfs/dbraw/zinc/32/32/79/208323279.db2.gz HJLXUUOSSZNSAV-LBPRGKRZSA-N 1 0 284.316 -0.001 20 5 CBBDRO O=C(NCCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000035307426 172121177 /nfs/dbraw/zinc/12/11/77/172121177.db2.gz LZLKFRFEAHFSIQ-UHFFFAOYSA-N 1 0 281.316 -0.052 20 5 CBBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](C)CC1 ZINC000285390635 196270442 /nfs/dbraw/zinc/27/04/42/196270442.db2.gz CALUUKJKODLLQX-VIFPVBQESA-N 1 0 296.331 -0.316 20 5 CBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH3+] ZINC000036286392 172582325 /nfs/dbraw/zinc/58/23/25/172582325.db2.gz MJGTXYAXHWBKFM-UHFFFAOYSA-N 1 0 275.286 -0.160 20 5 CBBDRO C[NH2+]C[C@H](C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237130500 419577312 /nfs/dbraw/zinc/57/73/12/419577312.db2.gz AGEGZYKIAXMRDH-VIFPVBQESA-N 1 0 282.300 -0.272 20 5 CBBDRO C[NH+](C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000339682422 419703504 /nfs/dbraw/zinc/70/35/04/419703504.db2.gz IKQIZGPCYRDRJR-VIFPVBQESA-N 1 0 296.331 0.124 20 5 CBBDRO CO[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C[NH3+])C1 ZINC000359211928 419948528 /nfs/dbraw/zinc/94/85/28/419948528.db2.gz KAUDIHNENVQUEZ-UWVGGRQHSA-N 1 0 297.315 -0.244 20 5 CBBDRO O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359276041 419954905 /nfs/dbraw/zinc/95/49/05/419954905.db2.gz LRPYBUMXQAPDBD-UWVGGRQHSA-N 1 0 251.290 -0.058 20 5 CBBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364613020 420044489 /nfs/dbraw/zinc/04/44/89/420044489.db2.gz NQXYPJHTXXVQSM-GHMZBOCLSA-N 1 0 285.344 -0.043 20 5 CBBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364613023 420044837 /nfs/dbraw/zinc/04/48/37/420044837.db2.gz NQXYPJHTXXVQSM-WDEREUQCSA-N 1 0 285.344 -0.043 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366526019 420087203 /nfs/dbraw/zinc/08/72/03/420087203.db2.gz HHOCVTWDPQMLDF-GDGBQDQQSA-N 1 0 279.300 -0.176 20 5 CBBDRO CCN1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000391568002 420206984 /nfs/dbraw/zinc/20/69/84/420206984.db2.gz BYGOBVWWGMJEMN-KOLCDFICSA-N 1 0 297.315 -0.637 20 5 CBBDRO CN1CC[NH2+]C[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000394830677 420213253 /nfs/dbraw/zinc/21/32/53/420213253.db2.gz ULYIHYRNCLKPKX-SSDOTTSWSA-N 1 0 257.319 0.367 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000368834846 420143416 /nfs/dbraw/zinc/14/34/16/420143416.db2.gz POWISWZEWLFXQG-LLVKDONJSA-N 1 0 281.316 -0.192 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000368787687 420144975 /nfs/dbraw/zinc/14/49/75/420144975.db2.gz ZHILTRASWCRVFB-MNOVXSKESA-N 1 0 282.300 -0.391 20 5 CBBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405283343 420226642 /nfs/dbraw/zinc/22/66/42/420226642.db2.gz CUUWRDZYOAGAOM-DTWKUNHWSA-N 1 0 280.284 -0.186 20 5 CBBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1 ZINC000405282007 420227060 /nfs/dbraw/zinc/22/70/60/420227060.db2.gz WCIYGPYYNBYPSM-WCBMZHEXSA-N 1 0 265.273 -0.360 20 5 CBBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC000450787119 420298884 /nfs/dbraw/zinc/29/88/84/420298884.db2.gz IAJMCDOUYKHLLM-APPZFPTMSA-N 1 0 264.289 0.107 20 5 CBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCN2C1=O ZINC000519613890 420384080 /nfs/dbraw/zinc/38/40/80/420384080.db2.gz LJSRUQLAUWBCJW-YUMQZZPRSA-N 1 0 293.283 -0.693 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568105897 420450245 /nfs/dbraw/zinc/45/02/45/420450245.db2.gz BLOHOSGMQBBBBD-UHFFFAOYSA-N 1 0 297.315 -0.384 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572563230 420456721 /nfs/dbraw/zinc/45/67/21/420456721.db2.gz KODWHLKDZYJOEH-GFCCVEGCSA-N 1 0 297.315 -0.386 20 5 CBBDRO C[C@H](CCNc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000596424279 420488553 /nfs/dbraw/zinc/48/85/53/420488553.db2.gz FVAKQIUALJXKQS-SSDOTTSWSA-N 1 0 254.294 0.141 20 5 CBBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC000599083012 420490852 /nfs/dbraw/zinc/49/08/52/420490852.db2.gz GOGLFBVNHZVWFR-QMSLJYSESA-N 1 0 264.289 -0.037 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000394117804 260074975 /nfs/dbraw/zinc/07/49/75/260074975.db2.gz KZXWTDAHCBARJP-SNVBAGLBSA-N 1 0 281.316 -0.433 20 5 CBBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000193661090 262225574 /nfs/dbraw/zinc/22/55/74/262225574.db2.gz FISIAIIDJGUWSL-BXKDBHETSA-N 1 0 294.311 -0.129 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[NH2+]CCO1 ZINC000519763151 265595207 /nfs/dbraw/zinc/59/52/07/265595207.db2.gz GCDJATABUJCCQA-JTQLQIEISA-N 1 0 283.288 -0.714 20 5 CBBDRO CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000519774504 265604575 /nfs/dbraw/zinc/60/45/75/265604575.db2.gz RZDLGZUMXYMSMR-SSDOTTSWSA-N 1 0 268.277 -0.967 20 5 CBBDRO C[C@@H](O)C[N@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289738514 278394047 /nfs/dbraw/zinc/39/40/47/278394047.db2.gz JKPINJNVOOHFKC-SNVBAGLBSA-N 1 0 285.300 -0.568 20 5 CBBDRO [NH3+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000564945807 327248318 /nfs/dbraw/zinc/24/83/18/327248318.db2.gz QRMPTCSSBZJUAK-ZCFIWIBFSA-N 1 0 252.230 -0.131 20 5 CBBDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570155591 327572302 /nfs/dbraw/zinc/57/23/02/327572302.db2.gz NUJXGPKCNNQGCL-GARJFASQSA-N 1 0 286.288 -0.844 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)c1 ZINC000572121330 329946126 /nfs/dbraw/zinc/94/61/26/329946126.db2.gz PXTCBVFGPCKQMO-ZMLRMANQSA-N 1 0 284.316 -0.097 20 5 CBBDRO CC(=O)NCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576277139 335181244 /nfs/dbraw/zinc/18/12/44/335181244.db2.gz QPMJWYGMCIIXDQ-NSHDSACASA-N 1 0 285.304 -0.780 20 5 CBBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NCC[NH+](C)C ZINC000565208099 334544913 /nfs/dbraw/zinc/54/49/13/334544913.db2.gz ZBCAZTCUNWWOAE-QMMMGPOBSA-N 1 0 297.315 -0.281 20 5 CBBDRO CON1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000567694597 334752663 /nfs/dbraw/zinc/75/26/63/334752663.db2.gz XXONJSIJAMPANF-LBPRGKRZSA-N 1 0 299.331 -0.232 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCC[C@H]2CO)c1 ZINC000312878660 334755537 /nfs/dbraw/zinc/75/55/37/334755537.db2.gz VLYAAMMWKRHEDC-DLOVCJGASA-N 1 0 284.316 -0.097 20 5 CBBDRO NC(=O)CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000572714249 334873706 /nfs/dbraw/zinc/87/37/06/334873706.db2.gz ADGXGMGZVKTDAN-SNVBAGLBSA-N 1 0 297.315 -0.603 20 5 CBBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576703373 335237070 /nfs/dbraw/zinc/23/70/70/335237070.db2.gz PXEYQXGNZVOIFP-QMMMGPOBSA-N 1 0 286.313 -0.028 20 5 CBBDRO Cc1nn(C)c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000577887146 335417447 /nfs/dbraw/zinc/41/74/47/335417447.db2.gz GKIIIQGYLOHIGA-DTWKUNHWSA-N 1 0 294.315 -0.615 20 5 CBBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000579025440 335702265 /nfs/dbraw/zinc/70/22/65/335702265.db2.gz CPAZHEYSVFXBEJ-ZETCQYMHSA-N 1 0 272.286 -0.370 20 5 CBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(CO)CO ZINC000579124272 335712781 /nfs/dbraw/zinc/71/27/81/335712781.db2.gz HYPOWGFLVXHLDS-UHFFFAOYSA-N 1 0 299.283 -0.515 20 5 CBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C(CO)CO)cc1 ZINC000134757671 582125179 /nfs/dbraw/zinc/12/51/79/582125179.db2.gz UAPNQZSNZLAKEC-NSHDSACASA-N 1 0 256.258 -0.429 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)C2CC2)c1 ZINC000763060453 582319344 /nfs/dbraw/zinc/31/93/44/582319344.db2.gz UMCGJSLDDLGMCE-RYUDHWBXSA-N 1 0 284.316 -0.097 20 5 CBBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000776588675 582355566 /nfs/dbraw/zinc/35/55/66/582355566.db2.gz AJOVJWJPFDTTKD-UTUOFQBUSA-N 1 0 268.269 -0.334 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](CO)C[NH+]1CCCC1 ZINC000808218550 582442283 /nfs/dbraw/zinc/44/22/83/582442283.db2.gz JDHMBGHSTUYSON-JTQLQIEISA-N 1 0 297.315 -0.636 20 5 CBBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000818011691 582498197 /nfs/dbraw/zinc/49/81/97/582498197.db2.gz LXBWOCPYKAKGFQ-VIFPVBQESA-N 1 0 280.284 -0.105 20 5 CBBDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000825854493 582748850 /nfs/dbraw/zinc/74/88/50/582748850.db2.gz BSKIIQVYOOVSMB-UHFFFAOYSA-N 1 0 290.287 -0.080 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH2+]CC1 ZINC000830329697 582928678 /nfs/dbraw/zinc/92/86/78/582928678.db2.gz CBIAKOJXXALLLO-UHFFFAOYSA-N 1 0 253.262 -0.468 20 5 CBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839666452 583157178 /nfs/dbraw/zinc/15/71/78/583157178.db2.gz NDVRNRPPBOLDOJ-OPRDCNLKSA-N 1 0 257.290 -0.512 20 5 CBBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839729749 583158732 /nfs/dbraw/zinc/15/87/32/583158732.db2.gz DNXSOASMPMWLQW-HBNTYKKESA-N 1 0 285.344 -0.045 20 5 CBBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781246 583160048 /nfs/dbraw/zinc/16/00/48/583160048.db2.gz LBDLXEBSXWGHIB-GMTAPVOTSA-N 1 0 271.317 -0.385 20 5 CBBDRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840500431 583165446 /nfs/dbraw/zinc/16/54/46/583165446.db2.gz WPEFRENJGYISBS-OPRDCNLKSA-N 1 0 285.300 -0.785 20 5 CBBDRO COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843085908 583201085 /nfs/dbraw/zinc/20/10/85/583201085.db2.gz DXUBHNXTSYMHBN-MNOVXSKESA-N 1 0 284.268 -0.248 20 5 CBBDRO CNC(=O)[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843112166 583203104 /nfs/dbraw/zinc/20/31/04/583203104.db2.gz WUDZHCMTUYLVLN-GHMZBOCLSA-N 1 0 283.284 -0.675 20 5 CBBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000850586712 583501686 /nfs/dbraw/zinc/50/16/86/583501686.db2.gz DFFKAWDZXPYBIA-UHFFFAOYSA-N 1 0 274.302 -0.170 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000854466272 583604197 /nfs/dbraw/zinc/60/41/97/583604197.db2.gz ZWIRPKRHEZWDPD-SSDOTTSWSA-N 1 0 283.288 -0.776 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854467335 583604710 /nfs/dbraw/zinc/60/47/10/583604710.db2.gz FFXUPLLWXLPPOK-JQWIXIFHSA-N 1 0 297.311 -0.333 20 5 CBBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854642083 583614129 /nfs/dbraw/zinc/61/41/29/583614129.db2.gz INQDIGKOUJSKNV-DDHJBXDOSA-N 1 0 283.328 -0.027 20 5 CBBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854642086 583614175 /nfs/dbraw/zinc/61/41/75/583614175.db2.gz INQDIGKOUJSKNV-WRWGMCAJSA-N 1 0 283.328 -0.027 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NOCC[NH+](C)C)n1 ZINC000854945349 583629210 /nfs/dbraw/zinc/62/92/10/583629210.db2.gz HOOJBBFJWGCZEU-UHFFFAOYSA-N 1 0 257.250 -0.449 20 5 CBBDRO Cc1nn(C)c(C(=O)NOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000854947379 583629733 /nfs/dbraw/zinc/62/97/33/583629733.db2.gz UBANFDSRRJUXNB-UHFFFAOYSA-N 1 0 271.277 -0.140 20 5 CBBDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000858639990 583700020 /nfs/dbraw/zinc/70/00/20/583700020.db2.gz KWUZVYWRDJJBCV-ZCFIWIBFSA-N 1 0 277.306 -0.704 20 5 CBBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000861613216 583772297 /nfs/dbraw/zinc/77/22/97/583772297.db2.gz DUSLFKQJTVTAOH-MRVPVSSYSA-N 1 0 270.293 -0.220 20 5 CBBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846347 584092720 /nfs/dbraw/zinc/09/27/20/584092720.db2.gz YCOXGBXFKMCFSV-NXEZZACHSA-N 1 0 294.315 -0.119 20 5 CBBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000879993678 584258835 /nfs/dbraw/zinc/25/88/35/584258835.db2.gz ZRRZVLCGOQGORV-OPRDCNLKSA-N 1 0 257.290 -0.776 20 5 CBBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)n1 ZINC000880071448 584260573 /nfs/dbraw/zinc/26/05/73/584260573.db2.gz ACAVIRGLOYLIHW-NWDGAFQWSA-N 1 0 295.343 -0.068 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@]23CC[NH2+]C3)c1 ZINC000903869294 584902842 /nfs/dbraw/zinc/90/28/42/584902842.db2.gz GKYCOCVAQPOIDN-QWHCGFSZSA-N 1 0 295.343 -0.020 20 5 CBBDRO CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000941407208 614604835 /nfs/dbraw/zinc/60/48/35/614604835.db2.gz MWBAGPXGPQCOEM-CHWSQXEVSA-N 1 0 296.371 -0.110 20 5 CBBDRO CCN1CC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000712614002 656210240 /nfs/dbraw/zinc/21/02/40/656210240.db2.gz JWIYMBFFTFYJQQ-JQWIXIFHSA-N 1 0 283.332 -0.164 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000713664623 656212599 /nfs/dbraw/zinc/21/25/99/656212599.db2.gz VVURWMJWYRFQKC-NSHDSACASA-N 1 0 267.289 -0.112 20 5 CBBDRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000719597409 656235880 /nfs/dbraw/zinc/23/58/80/656235880.db2.gz HBTKEEXTSBRMNN-YUSALJHKSA-N 1 0 283.332 -0.166 20 5 CBBDRO CN(CCc1ccccn1)C(=O)CNCC[N+](=O)[O-] ZINC000905087642 656336953 /nfs/dbraw/zinc/33/69/53/656336953.db2.gz FTCRCVZJUWCJCO-UHFFFAOYSA-N 1 0 266.301 -0.051 20 5 CBBDRO CCS(=O)(=O)N1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905212639 656345579 /nfs/dbraw/zinc/34/55/79/656345579.db2.gz LPPHDTQAKSPIEV-UHFFFAOYSA-N 1 0 279.362 -0.086 20 5 CBBDRO NC(=O)CC[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577339 657780546 /nfs/dbraw/zinc/78/05/46/657780546.db2.gz RVHVSNNYMORZNU-ZYHUDNBSSA-N 1 0 283.284 -0.546 20 5 CBBDRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020533157 658067862 /nfs/dbraw/zinc/06/78/62/658067862.db2.gz JEOJUJXFCSXLKW-MGCOHNPYSA-N 1 0 292.295 -0.183 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[NH2+]CC2)c1 ZINC000923277379 658187603 /nfs/dbraw/zinc/18/76/03/658187603.db2.gz GJOOYGYUZJYXRK-NSHDSACASA-N 1 0 269.305 -0.553 20 5 CBBDRO C[NH2+]C[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923295026 658194197 /nfs/dbraw/zinc/19/41/97/658194197.db2.gz QNDKWIONQJAMNW-ZYHUDNBSSA-N 1 0 283.332 -0.164 20 5 CBBDRO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[NH2+]C1 ZINC000923356655 658228110 /nfs/dbraw/zinc/22/81/10/658228110.db2.gz ONPNEHDLZAWLFR-JTQLQIEISA-N 1 0 255.278 -0.944 20 5 CBBDRO C[C@]12C[NH2+]C[C@H]1CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000923428771 658275072 /nfs/dbraw/zinc/27/50/72/658275072.db2.gz ZJIZFQIWDKLQEM-WCFLWFBJSA-N 1 0 295.343 -0.307 20 5 CBBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000928563779 659045187 /nfs/dbraw/zinc/04/51/87/659045187.db2.gz RINICIQSAGTWDG-VIFPVBQESA-N 1 0 280.284 -0.423 20 5 CBBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000928567521 659049568 /nfs/dbraw/zinc/04/95/68/659049568.db2.gz QBBKNRPBJOXJFC-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO COCC(COC)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000930712967 659326834 /nfs/dbraw/zinc/32/68/34/659326834.db2.gz QURISMRDQJAYOY-UHFFFAOYSA-N 1 0 261.322 -0.458 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2COCCO2)c1 ZINC000038061313 790324166 /nfs/dbraw/zinc/32/41/66/790324166.db2.gz FPJPITMCHCIKGL-QWRGUYRKSA-N 1 0 286.288 -0.843 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2COCCO2)c1 ZINC000038061312 790324222 /nfs/dbraw/zinc/32/42/22/790324222.db2.gz FPJPITMCHCIKGL-MNOVXSKESA-N 1 0 286.288 -0.843 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH2+]CC2)c1 ZINC000088061322 790366446 /nfs/dbraw/zinc/36/64/46/790366446.db2.gz NTSZBLUWDVUDFK-SNVBAGLBSA-N 1 0 255.278 -0.943 20 5 CBBDRO CNC(=O)C[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000322770510 790485037 /nfs/dbraw/zinc/48/50/37/790485037.db2.gz IEDBZPUPXZPFFM-PSASIEDQSA-N 1 0 285.304 -0.734 20 5 CBBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000691297427 790674555 /nfs/dbraw/zinc/67/45/55/790674555.db2.gz GMKMWQCFWKLLOE-UHFFFAOYSA-N 1 0 284.316 -0.071 20 5 CBBDRO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCC1 ZINC001022061514 790987516 /nfs/dbraw/zinc/98/75/16/790987516.db2.gz LWCOKHFKGWGFLQ-LMLFDSFASA-N 1 0 296.327 -0.879 20 5 CBBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775186 798974622 /nfs/dbraw/zinc/97/46/22/798974622.db2.gz BPRJANSEOFSEIC-NZFPMDFQSA-N 1 0 269.301 -0.920 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029305426 799194732 /nfs/dbraw/zinc/19/47/32/799194732.db2.gz YJTYBILUDCNNME-LMLFDSFASA-N 1 0 269.301 -0.681 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029304919 799194794 /nfs/dbraw/zinc/19/47/94/799194794.db2.gz NSWGOLRDROEOTP-WRWGMCAJSA-N 1 0 283.328 -0.291 20 5 CBBDRO O=C(NCC1C[NH+](CCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660832 799530488 /nfs/dbraw/zinc/53/04/88/799530488.db2.gz TXEQVSCZYTUTGC-NXEZZACHSA-N 1 0 257.290 -0.918 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC001035186426 799868668 /nfs/dbraw/zinc/86/86/68/799868668.db2.gz DWZVMWMTJAYYKM-VXGBXAGGSA-N 1 0 297.355 -0.042 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035707591 799960198 /nfs/dbraw/zinc/96/01/98/799960198.db2.gz PEJWCFBQJNIQKI-GHMZBOCLSA-N 1 0 283.328 -0.432 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035707625 799960298 /nfs/dbraw/zinc/96/02/98/799960298.db2.gz PKASFVMSLMKGBC-VXGBXAGGSA-N 1 0 297.355 -0.042 20 5 CBBDRO Cc1cc([N+](=O)[O-])cn(CC(=O)N2CC[NH2+]CC2)c1=O ZINC001118135128 812475469 /nfs/dbraw/zinc/47/54/69/812475469.db2.gz IVFAVQUUKCJTFE-UHFFFAOYSA-N 1 0 280.284 -0.503 20 5 CBBDRO NC(=O)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323419342 804025807 /nfs/dbraw/zinc/02/58/07/804025807.db2.gz PELVHHJSYUFTEA-MWLCHTKSSA-N 1 0 297.315 -0.651 20 5 CBBDRO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC001324267497 804128131 /nfs/dbraw/zinc/12/81/31/804128131.db2.gz RWZRLTMKUZWRLT-SECBINFHSA-N 1 0 282.300 -0.177 20 5 CBBDRO [NH3+]C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC001325855300 804325866 /nfs/dbraw/zinc/32/58/66/804325866.db2.gz GFPBHTXYLCOAOX-ZETCQYMHSA-N 1 0 254.250 -0.960 20 5 CBBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001325855821 804325924 /nfs/dbraw/zinc/32/59/24/804325924.db2.gz KVKUFXLIDOLLPT-QMMMGPOBSA-N 1 0 282.304 -0.309 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])ccn2)N1 ZINC001155572523 815295292 /nfs/dbraw/zinc/29/52/92/815295292.db2.gz YFOFVHXJLWJSPZ-KCJUWKMLSA-N 1 0 263.257 -0.020 20 5 CBBDRO Nc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155574629 815296954 /nfs/dbraw/zinc/29/69/54/815296954.db2.gz IVDUAWHKXRXDBV-RDDDGLTNSA-N 1 0 278.272 -0.438 20 5 CBBDRO COc1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ncc1[N+](=O)[O-] ZINC001155637059 815302552 /nfs/dbraw/zinc/30/25/52/815302552.db2.gz RYSVHXOZVTXBJQ-FJXKBIBVSA-N 1 0 281.272 -0.065 20 5 CBBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(CC[NH3+])CCO ZINC001155952249 815324850 /nfs/dbraw/zinc/32/48/50/815324850.db2.gz CSFYMCLFXMTOCU-UHFFFAOYSA-N 1 0 298.299 -0.076 20 5 CBBDRO CN(c1ncc([N+](=O)[O-])cc1F)S(=O)(=O)CC[NH3+] ZINC001156236922 815349131 /nfs/dbraw/zinc/34/91/31/815349131.db2.gz VHHFSGRGTJSXHX-UHFFFAOYSA-N 1 0 278.265 -0.146 20 5 CBBDRO CN(c1cc(N)c([N+](=O)[O-])cn1)S(=O)(=O)CC[NH3+] ZINC001156236921 815349309 /nfs/dbraw/zinc/34/93/09/815349309.db2.gz VEYQBWQPSTXPSW-UHFFFAOYSA-N 1 0 275.290 -0.703 20 5 CBBDRO COC(=O)c1ccnc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001156985169 815395324 /nfs/dbraw/zinc/39/53/24/815395324.db2.gz TYZJJPRAODPUCU-UHFFFAOYSA-N 1 0 293.243 -0.747 20 5 CBBDRO Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761099 815462731 /nfs/dbraw/zinc/46/27/31/815462731.db2.gz MVFBVZFKUDWFJY-GHMZBOCLSA-N 1 0 281.316 -0.319 20 5 CBBDRO Cc1nonc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761396 815462930 /nfs/dbraw/zinc/46/29/30/815462930.db2.gz QVSSOKWDIGIZGF-PSASIEDQSA-N 1 0 283.288 -0.361 20 5 CBBDRO O=C(NCCC[NH2+]Cc1ccon1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767711 815463015 /nfs/dbraw/zinc/46/30/15/815463015.db2.gz RWIQILZIEQUOIQ-NXEZZACHSA-N 1 0 268.273 -0.064 20 5 CBBDRO C[NH+]1CCN(C(=N)Nc2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001157910818 815481918 /nfs/dbraw/zinc/48/19/18/815481918.db2.gz RKZJXNRLCQTKNR-UHFFFAOYSA-N 1 0 280.288 -0.178 20 5 CBBDRO COC(=O)c1cnc(-n2nnnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001158074707 815501208 /nfs/dbraw/zinc/50/12/08/815501208.db2.gz JDONQGHPIPGAIY-UHFFFAOYSA-N 1 0 279.216 -0.789 20 5 CBBDRO [NH3+]Cc1nnnn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001158076521 815501957 /nfs/dbraw/zinc/50/19/57/815501957.db2.gz FIMHRUKGRNFDFT-UHFFFAOYSA-N 1 0 260.217 -0.095 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1-n1cncc1C[C@@H]([NH3+])CO ZINC001158206732 815513901 /nfs/dbraw/zinc/51/39/01/815513901.db2.gz YSKTUBJWAQOQQY-SSDOTTSWSA-N 1 0 278.272 -0.380 20 5 CBBDRO COc1ncnc(-n2cncc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001158204570 815514269 /nfs/dbraw/zinc/51/42/69/815514269.db2.gz RBOFVCYZZNDFNJ-SSDOTTSWSA-N 1 0 294.271 -0.559 20 5 CBBDRO C[NH+]1CCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001116868619 812327896 /nfs/dbraw/zinc/32/78/96/812327896.db2.gz GGRHKXNLHHAMDV-UHFFFAOYSA-N 1 0 282.304 -0.705 20 5 CBBDRO CC(C)[C@H]([NH3+])CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118197025 812490862 /nfs/dbraw/zinc/49/08/62/812490862.db2.gz LOUKLKQHDXRKRH-SECBINFHSA-N 1 0 282.300 -0.144 20 5 CBBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001158481790 815535576 /nfs/dbraw/zinc/53/55/76/815535576.db2.gz HNQPJZAABZTDBJ-SECBINFHSA-N 1 0 297.315 -0.106 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)n1 ZINC001118806863 812631703 /nfs/dbraw/zinc/63/17/03/812631703.db2.gz BXCNKWVMWGUPCJ-ZETCQYMHSA-N 1 0 289.317 -0.702 20 5 CBBDRO COC(=O)c1cnc(N2C[C@@H](OC)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001158705927 815543396 /nfs/dbraw/zinc/54/33/96/815543396.db2.gz ZDOZHIMFAOGACP-WCBMZHEXSA-N 1 0 296.283 -0.061 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC001118954344 812674897 /nfs/dbraw/zinc/67/48/97/812674897.db2.gz YXRZQIMVFPLGAC-MRVPVSSYSA-N 1 0 283.288 -0.875 20 5 CBBDRO CN(CC[NH3+])CCNc1ccc([N+](=O)[O-])c(N)n1 ZINC001159438637 815574044 /nfs/dbraw/zinc/57/40/44/815574044.db2.gz YXYMQAOHVDFIOC-UHFFFAOYSA-N 1 0 254.294 -0.126 20 5 CBBDRO [NH3+]CCOCCOCCNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001159443723 815573451 /nfs/dbraw/zinc/57/34/51/815573451.db2.gz YXVRUWBIVZRUAZ-UHFFFAOYSA-N 1 0 286.288 -0.368 20 5 CBBDRO COc1ncccc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932335 813694410 /nfs/dbraw/zinc/69/44/10/813694410.db2.gz SUBUSDWEJBXBEK-GHMZBOCLSA-N 1 0 294.311 -0.039 20 5 CBBDRO COc1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001126932211 813695227 /nfs/dbraw/zinc/69/52/27/813695227.db2.gz MIYBTSFVGREXBA-GHMZBOCLSA-N 1 0 294.311 -0.039 20 5 CBBDRO Cc1cc(C)n(CC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936685 813696869 /nfs/dbraw/zinc/69/68/69/813696869.db2.gz QLMZRVSLNQGXJH-VXGBXAGGSA-N 1 0 295.343 -0.129 20 5 CBBDRO COc1cncc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936636 813697283 /nfs/dbraw/zinc/69/72/83/813697283.db2.gz NLUCKAJRWPYCKO-NXEZZACHSA-N 1 0 295.299 -0.644 20 5 CBBDRO COCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938763 813698090 /nfs/dbraw/zinc/69/80/90/813698090.db2.gz KEEXPKRDYRDRLZ-NXEZZACHSA-N 1 0 259.306 -0.216 20 5 CBBDRO COC(=O)c1cnc(N[C@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001159672991 815584930 /nfs/dbraw/zinc/58/49/30/815584930.db2.gz UGEGKJIPGBDMKS-BDAKNGLRSA-N 1 0 296.283 -0.231 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)n1 ZINC001159675037 815585812 /nfs/dbraw/zinc/58/58/12/815585812.db2.gz BGYWSSAASVXOQC-JGVFFNPUSA-N 1 0 283.288 -0.306 20 5 CBBDRO COc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)nc(OC)c1[N+](=O)[O-] ZINC001159676113 815586077 /nfs/dbraw/zinc/58/60/77/815586077.db2.gz FLLVEKYEXZOFEG-RQJHMYQMSA-N 1 0 299.287 -0.606 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159678976 815586649 /nfs/dbraw/zinc/58/66/49/815586649.db2.gz ANMUSUQFGATETO-HZGVNTEJSA-N 1 0 253.262 -0.436 20 5 CBBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001159676648 815586860 /nfs/dbraw/zinc/58/68/60/815586860.db2.gz IGGINHCJFCVLCN-SVRRBLITSA-N 1 0 288.691 -0.126 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159677338 815587079 /nfs/dbraw/zinc/58/70/79/815587079.db2.gz KJFCSFJYLJTEPR-BQBZGAKWSA-N 1 0 288.691 -0.126 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159677351 815587094 /nfs/dbraw/zinc/58/70/94/815587094.db2.gz KLLWLWVZRWXDNC-DTWKUNHWSA-N 1 0 268.273 -0.471 20 5 CBBDRO COC(=O)c1ccnc(N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001159678074 815587192 /nfs/dbraw/zinc/58/71/92/815587192.db2.gz NRKXMTWCHXVXMZ-APPZFPTMSA-N 1 0 296.283 -0.231 20 5 CBBDRO Nc1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159679968 815587608 /nfs/dbraw/zinc/58/76/08/815587608.db2.gz WURFWLZLMHTHFD-HTRCEHHLSA-N 1 0 253.262 -0.436 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@H]2CO)n1 ZINC001159681684 815588311 /nfs/dbraw/zinc/58/83/11/815588311.db2.gz FTXCOTWTIQLQBF-CBAPKCEASA-N 1 0 296.283 -0.231 20 5 CBBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001159750267 815593376 /nfs/dbraw/zinc/59/33/76/815593376.db2.gz JHJXIDFIDNFUMP-NXEZZACHSA-N 1 0 296.283 -0.209 20 5 CBBDRO COc1ncnc(-n2cc(C[NH3+])cnc2=N)c1[N+](=O)[O-] ZINC001161415249 815752583 /nfs/dbraw/zinc/75/25/83/815752583.db2.gz FQPZIFBOBHAYRW-UHFFFAOYSA-N 1 0 277.244 -0.483 20 5 CBBDRO Cc1nc(-n2cc(C[NH3+])cnc2=N)ncc1[N+](=O)[O-] ZINC001161418276 815754689 /nfs/dbraw/zinc/75/46/89/815754689.db2.gz QQVOGTSTKYGBRC-UHFFFAOYSA-N 1 0 261.245 -0.183 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1nccnc1[N+](=O)[O-] ZINC001162123995 815804011 /nfs/dbraw/zinc/80/40/11/815804011.db2.gz GOZNJFJRMYHGMU-UHFFFAOYSA-N 1 0 261.263 -0.891 20 5 CBBDRO NC(=O)c1nc(-n2cnc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001162296684 815812246 /nfs/dbraw/zinc/81/22/46/815812246.db2.gz JHLYTSMYTYRKTL-UHFFFAOYSA-N 1 0 262.229 -0.267 20 5 CBBDRO Cn1cc(N[C@@H]2COC[C@@H]2[NH3+])cc([N+](=O)[O-])c1=O ZINC001162921184 815848289 /nfs/dbraw/zinc/84/82/89/815848289.db2.gz NPYATKROQUVAMH-JGVFFNPUSA-N 1 0 254.246 -0.569 20 5 CBBDRO COc1nc(N[C@@H]2COC[C@@H]2[NH3+])nc(C)c1[N+](=O)[O-] ZINC001162917418 815849165 /nfs/dbraw/zinc/84/91/65/815849165.db2.gz OBVOAAOPEAIGSJ-NKWVEPMBSA-N 1 0 269.261 -0.160 20 5 CBBDRO CC[C@H](CO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163043534 815855128 /nfs/dbraw/zinc/85/51/28/815855128.db2.gz WRFNANJEONJNAQ-SECBINFHSA-N 1 0 296.331 -0.023 20 5 CBBDRO Cc1c[n+]([O-])c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1[N+](=O)[O-] ZINC001163137428 815861023 /nfs/dbraw/zinc/86/10/23/815861023.db2.gz JPNPHRRQOKMCMP-OPRDCNLKSA-N 1 0 280.284 -0.065 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])N1 ZINC001163236344 815868146 /nfs/dbraw/zinc/86/81/46/815868146.db2.gz HSYDONBMCHVBDU-WRWORJQWSA-N 1 0 297.246 -0.643 20 5 CBBDRO NC(=O)c1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ccc1[N+](=O)[O-] ZINC001163335903 815877400 /nfs/dbraw/zinc/87/74/00/815877400.db2.gz BQTXUIDHHSJVPB-BUYFANAVSA-N 1 0 293.283 -0.370 20 5 CBBDRO O=[N+]([O-])c1cc2c(cc1NC[C@@H](O)CO)C[NH2+]C2 ZINC001163356055 815882689 /nfs/dbraw/zinc/88/26/89/815882689.db2.gz XTOIPEGQMCJORI-SECBINFHSA-N 1 0 253.258 -0.037 20 5 CBBDRO C[N@@H+]1CCCN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001292967697 816492618 /nfs/dbraw/zinc/49/26/18/816492618.db2.gz AVQRYJOIOGEEGQ-VXGBXAGGSA-N 1 0 284.360 -0.205 20 5 CBBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c[nH]nc1[N+](=O)[O-] ZINC001298329300 816677952 /nfs/dbraw/zinc/67/79/52/816677952.db2.gz YPEWODBXFXYDMN-SECBINFHSA-N 1 0 297.315 -0.106 20 5 CBBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CC[NH+](C)C)C1 ZINC001299345742 816721100 /nfs/dbraw/zinc/72/11/00/816721100.db2.gz MFTDYFHWSDWGFF-GHMZBOCLSA-N 1 0 298.343 -0.728 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001302818496 816759254 /nfs/dbraw/zinc/75/92/54/816759254.db2.gz TXAWRWFSIVNNNL-LLVKDONJSA-N 1 0 283.288 -0.544 20 5 CBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nn(C)cc1[N+](=O)[O-] ZINC001307148700 816796502 /nfs/dbraw/zinc/79/65/02/816796502.db2.gz XXPZWAUELMBTKY-VIFPVBQESA-N 1 0 296.331 -0.116 20 5 CBBDRO CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857861 816814030 /nfs/dbraw/zinc/81/40/30/816814030.db2.gz ZZTHNRAUZKEMRV-CMPLNLGQSA-N 1 0 297.315 -0.637 20 5 CBBDRO CC(=O)N[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857862 816814748 /nfs/dbraw/zinc/81/47/48/816814748.db2.gz ZZTHNRAUZKEMRV-JQWIXIFHSA-N 1 0 297.315 -0.637 20 5 CBBDRO CN1C(=O)[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]2C1=O ZINC001308005052 816816088 /nfs/dbraw/zinc/81/60/88/816816088.db2.gz BHNYSXUOURQNRJ-DTORHVGOSA-N 1 0 293.283 -0.662 20 5 CBBDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC001308047293 816817597 /nfs/dbraw/zinc/81/75/97/816817597.db2.gz WPGAWXOHUVWWJM-LLVKDONJSA-N 1 0 294.311 -0.129 20 5 CBBDRO CC[N@H+](CCO)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316891311 816899921 /nfs/dbraw/zinc/89/99/21/816899921.db2.gz WYCFBKLEGBDLJU-NXEZZACHSA-N 1 0 259.306 -0.528 20 5 CBBDRO CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001317109417 816932821 /nfs/dbraw/zinc/93/28/21/816932821.db2.gz JCZPMMJBIDADOP-LMLFDSFASA-N 1 0 298.343 -0.585 20 5 CBBDRO C[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC001318748144 817139470 /nfs/dbraw/zinc/13/94/70/817139470.db2.gz HNCKFAOSOPBTDH-DTWKUNHWSA-N 1 0 282.304 -0.215 20 5 CBBDRO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001319607630 817225327 /nfs/dbraw/zinc/22/53/27/817225327.db2.gz OBSYNNDBDWQRTL-VIFPVBQESA-N 1 0 296.331 -0.316 20 5 CBBDRO [NH3+]C1(CO)CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC001320167601 817284245 /nfs/dbraw/zinc/28/42/45/817284245.db2.gz UDHQZGYSOSIIHG-UHFFFAOYSA-N 1 0 253.262 -0.325 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001320227638 817298679 /nfs/dbraw/zinc/29/86/79/817298679.db2.gz DTHQAEULVMMKBQ-NSHDSACASA-N 1 0 283.288 -0.875 20 5 CBBDRO [NH3+]CCN(CCO)c1cccc2ncc([N+](=O)[O-])n21 ZINC001163838956 819858920 /nfs/dbraw/zinc/85/89/20/819858920.db2.gz DYCVOCHURBVMQD-UHFFFAOYSA-N 1 0 265.273 0.000 20 5 CBBDRO COC(=O)CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001164558253 819928042 /nfs/dbraw/zinc/92/80/42/819928042.db2.gz AINRGYLWGNUCIV-UHFFFAOYSA-N 1 0 267.245 -0.344 20 5 CBBDRO Nc1nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)ccc1[N+](=O)[O-] ZINC001165282936 819946336 /nfs/dbraw/zinc/94/63/36/819946336.db2.gz IHLXHIRIDMCUGB-PELKAZGASA-N 1 0 279.300 -0.410 20 5 CBBDRO Cc1c(C)c(N2CCNC(=O)C23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165297853 819951832 /nfs/dbraw/zinc/95/18/32/819951832.db2.gz JOOXYVJKHNYZCJ-UHFFFAOYSA-N 1 0 291.311 -0.115 20 5 CBBDRO O=C1NCCN(c2ncc([N+](=O)[O-])cc2F)C12C[NH2+]C2 ZINC001165298690 819953410 /nfs/dbraw/zinc/95/34/10/819953410.db2.gz RQBWDQFTWIZIHI-UHFFFAOYSA-N 1 0 281.247 -0.593 20 5 CBBDRO NC(=O)c1ccnc(-n2ccnc2CC[NH3+])c1[N+](=O)[O-] ZINC001166300004 819996617 /nfs/dbraw/zinc/99/66/17/819996617.db2.gz YJDHGHGKIIVJRM-UHFFFAOYSA-N 1 0 276.256 -0.224 20 5 CBBDRO COc1nc(N2C[C@@H]([NH3+])[C@@H](F)C2)nc(OC)c1[N+](=O)[O-] ZINC001166928731 820046268 /nfs/dbraw/zinc/04/62/68/820046268.db2.gz NDYSKESQCFTDNB-NTSWFWBYSA-N 1 0 287.251 -0.113 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@@H](C[NH3+])C1 ZINC001166938212 820048981 /nfs/dbraw/zinc/04/89/81/820048981.db2.gz UIWMKACDOCGZEM-VIFPVBQESA-N 1 0 296.283 -0.060 20 5 CBBDRO COC(=O)C1(Nc2c[n+]([O-])ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166955257 820051139 /nfs/dbraw/zinc/05/11/39/820051139.db2.gz YIMCKQXRAVZIRL-UHFFFAOYSA-N 1 0 296.283 -0.065 20 5 CBBDRO CS(=O)(=O)N(c1ncc([N+](=O)[O-])cc1N)C1C[NH2+]C1 ZINC001166970888 820058177 /nfs/dbraw/zinc/05/81/77/820058177.db2.gz YDFWCZMAJDBJAM-UHFFFAOYSA-N 1 0 287.301 -0.690 20 5 CBBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](O)[C@@H]([NH3+])C2)n1 ZINC001167089638 820069708 /nfs/dbraw/zinc/06/97/08/820069708.db2.gz GNAATGRTAPUWFE-NTSWFWBYSA-N 1 0 273.680 -0.145 20 5 CBBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001167092651 820070644 /nfs/dbraw/zinc/07/06/44/820070644.db2.gz OFJLSNXEUJRXPY-VHSXEESVSA-N 1 0 296.283 -0.325 20 5 CBBDRO CC(C)(CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(N)=O ZINC001167607430 820107405 /nfs/dbraw/zinc/10/74/05/820107405.db2.gz GXRQMWIVEILMDR-UHFFFAOYSA-N 1 0 294.315 -0.005 20 5 CBBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cnc([N+](=O)[O-])cn1 ZINC001167676301 820110399 /nfs/dbraw/zinc/11/03/99/820110399.db2.gz YBZCRIBCKKDFSV-UHFFFAOYSA-N 1 0 261.245 -0.183 20 5 CBBDRO NC(=O)c1ccnc(-n2ccc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001167729820 820113282 /nfs/dbraw/zinc/11/32/82/820113282.db2.gz RJVPLTFWJSDABK-UHFFFAOYSA-N 1 0 276.256 -0.224 20 5 CBBDRO O=[N+]([O-])c1c(NC[C@H]2COCCO2)ncnc1C1C[NH2+]C1 ZINC001168265332 820154669 /nfs/dbraw/zinc/15/46/69/820154669.db2.gz IEAQIMYNGVUHEX-VIFPVBQESA-N 1 0 295.299 -0.101 20 5 CBBDRO CN1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])c(=O)n(C)c2)CC1 ZINC001168737348 820171872 /nfs/dbraw/zinc/17/18/72/820171872.db2.gz YXRXMHOALKHKOA-UHFFFAOYSA-N 1 0 294.315 -0.112 20 5 CBBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1nnnc1C[NH3+] ZINC001168920414 820191021 /nfs/dbraw/zinc/19/10/21/820191021.db2.gz QJCQEHVPIUPYNK-UHFFFAOYSA-N 1 0 293.243 -0.481 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965018 820197426 /nfs/dbraw/zinc/19/74/26/820197426.db2.gz XHUYFGVQBPLPNN-DTWKUNHWSA-N 1 0 265.335 -0.348 20 5 CBBDRO CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)S(=O)(=O)CC[NH3+] ZINC001168966473 820197514 /nfs/dbraw/zinc/19/75/14/820197514.db2.gz IKFQJEBBIMUUGC-DTWKUNHWSA-N 1 0 265.335 -0.348 20 5 CBBDRO CCOC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168971351 820197666 /nfs/dbraw/zinc/19/76/66/820197666.db2.gz JOFLISULCAZKQP-NXEZZACHSA-N 1 0 287.316 -0.299 20 5 CBBDRO CS(=O)(=O)N1CC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168970865 820197736 /nfs/dbraw/zinc/19/77/36/820197736.db2.gz JBAKZKPCNZCATL-BDAKNGLRSA-N 1 0 277.346 -0.335 20 5 CBBDRO O=C1CN(C2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CCN1 ZINC001169038462 820201138 /nfs/dbraw/zinc/20/11/38/820201138.db2.gz YXSICHFXURSKON-QWRGUYRKSA-N 1 0 282.344 -0.452 20 5 CBBDRO CS(=O)(=O)N(C1C[NH2+]C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033028 820202057 /nfs/dbraw/zinc/20/20/57/820202057.db2.gz BEEXEUTYKGPXFK-BDAKNGLRSA-N 1 0 277.346 -0.335 20 5 CBBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1nncc1C[NH3+] ZINC001169312017 820227719 /nfs/dbraw/zinc/22/77/19/820227719.db2.gz XYQKXLGXQQBNAY-UHFFFAOYSA-N 1 0 278.228 -0.184 20 5 CBBDRO Cc1c[n+]([O-])c(NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001170035791 820274421 /nfs/dbraw/zinc/27/44/21/820274421.db2.gz PKFJTLKKHKQLIX-VIFPVBQESA-N 1 0 268.273 -0.063 20 5 CBBDRO Cn1cc(NC[C@H]2COCC[NH2+]2)cc([N+](=O)[O-])c1=O ZINC001170044208 820275322 /nfs/dbraw/zinc/27/53/22/820275322.db2.gz LIUZYMWMXUXBOJ-VIFPVBQESA-N 1 0 268.273 -0.306 20 5 CBBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)C(N)=O)c([N+](=O)[O-])c1 ZINC001170306608 820287205 /nfs/dbraw/zinc/28/72/05/820287205.db2.gz YMYKNZNNLKLXMF-KWQFWETISA-N 1 0 297.311 -0.030 20 5 CBBDRO COc1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)nc1[N+](=O)[O-] ZINC001170773815 820317697 /nfs/dbraw/zinc/31/76/97/820317697.db2.gz QPRDFAQTBJITPM-SFYZADRCSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1nc(C)nc(N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170773675 820317971 /nfs/dbraw/zinc/31/79/71/820317971.db2.gz IYFSVVNHFBAYAI-SFYZADRCSA-N 1 0 283.288 -0.306 20 5 CBBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170774069 820318573 /nfs/dbraw/zinc/31/85/73/820318573.db2.gz UGZLZPNTEPYKGB-JGVFFNPUSA-N 1 0 268.273 -0.009 20 5 CBBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)cn2cnnc12 ZINC001170783150 820323752 /nfs/dbraw/zinc/32/37/52/820323752.db2.gz QIVVTHOMKOACKV-APPZFPTMSA-N 1 0 278.272 -0.370 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001170994584 820343206 /nfs/dbraw/zinc/34/32/06/820343206.db2.gz VESAHWUVZBOCQY-UHFFFAOYSA-N 1 0 284.272 -0.444 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1cnc([N+](=O)[O-])cn1 ZINC001170994879 820343823 /nfs/dbraw/zinc/34/38/23/820343823.db2.gz BJMPLHQPQMPMOY-UHFFFAOYSA-N 1 0 269.261 -0.287 20 5 CBBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001173218538 820400364 /nfs/dbraw/zinc/40/03/64/820400364.db2.gz BRZFVQJATBQUEB-KWQFWETISA-N 1 0 294.311 -0.155 20 5 CBBDRO C[NH+]1CCC(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283004356 828488451 /nfs/dbraw/zinc/48/84/51/828488451.db2.gz DNPJNTAAEKEQJF-GHMZBOCLSA-N 1 0 298.343 -0.774 20 5 CBBDRO COC(COC(=O)C[C@@H](O)C[N+](C)(C)C)OC ZINC001204894874 824372566 /nfs/dbraw/zinc/37/25/66/824372566.db2.gz WRWJKEMXRXJXQS-SECBINFHSA-N 1 0 250.315 -0.394 20 5 CBBDRO NC(=O)[C@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211591288 824485720 /nfs/dbraw/zinc/48/57/20/824485720.db2.gz QQJARNAXQHMGIC-RXMQYKEDSA-N 1 0 296.218 -0.466 20 5 CBBDRO C[N+](C)(C)CCCO[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12 ZINC001224618667 825244474 /nfs/dbraw/zinc/24/44/74/825244474.db2.gz HRSGIWPOVJEFTM-IRCOFANPSA-N 1 0 291.324 -0.158 20 5 CBBDRO Cc1c(=O)[nH]cnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226070848 825270045 /nfs/dbraw/zinc/27/00/45/825270045.db2.gz GPECCOKZDGJXRM-SECBINFHSA-O 1 0 270.309 -0.147 20 5 CBBDRO COC(=O)c1cncnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226150198 825272699 /nfs/dbraw/zinc/27/26/99/825272699.db2.gz QPEKBOYOWJAACZ-SECBINFHSA-N 1 0 298.319 -0.374 20 5 CBBDRO COc1cnc(=O)[nH]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226822254 825290807 /nfs/dbraw/zinc/29/08/07/825290807.db2.gz NFLTUAXIHZEUPP-MRVPVSSYSA-O 1 0 286.308 -0.447 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2ccnn21 ZINC001228041814 825312048 /nfs/dbraw/zinc/31/20/48/825312048.db2.gz BPLSAEAISYCGMY-SECBINFHSA-N 1 0 280.308 -0.513 20 5 CBBDRO COc1ccnnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234415622 825465711 /nfs/dbraw/zinc/46/57/11/825465711.db2.gz FZZGSNQAKDHOIT-SECBINFHSA-N 1 0 270.309 -0.152 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)N1 ZINC001246153276 825642370 /nfs/dbraw/zinc/64/23/70/825642370.db2.gz RKPLLVOUMDPYOM-SVDPJWKOSA-N 1 0 268.317 -0.401 20 5 CBBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C(N)=O ZINC001254540057 825965958 /nfs/dbraw/zinc/96/59/58/825965958.db2.gz OWJYAWYKRMKMQS-PSASIEDQSA-N 1 0 267.285 -0.038 20 5 CBBDRO NC(=O)C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254589408 825967142 /nfs/dbraw/zinc/96/71/42/825967142.db2.gz OEGMOGSOCYKNKV-ONGXEEELSA-N 1 0 292.295 -0.619 20 5 CBBDRO NC(=O)[C@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579571 825967426 /nfs/dbraw/zinc/96/74/26/825967426.db2.gz SXUXPYNWMQAHTO-ONGXEEELSA-N 1 0 265.269 -0.502 20 5 CBBDRO C[C@@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]1 ZINC001261494989 826525994 /nfs/dbraw/zinc/52/59/94/826525994.db2.gz MUZGEULUIKTVGE-HTQZYQBOSA-N 1 0 268.277 -0.557 20 5 CBBDRO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001261773133 826578273 /nfs/dbraw/zinc/57/82/73/826578273.db2.gz UALLZNZJFXKREK-PWSUYJOCSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@@H]([NH3+])CONC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001263140724 826743094 /nfs/dbraw/zinc/74/30/94/826743094.db2.gz DGOMMJKCBIRVNM-SSDOTTSWSA-N 1 0 257.250 -0.424 20 5 CBBDRO Cc1nnc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC001276000894 828128657 /nfs/dbraw/zinc/12/86/57/828128657.db2.gz BKPKLHUQBHKFMA-NXEZZACHSA-N 1 0 296.331 -0.284 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C[NH3+])C1CC1 ZINC001326260813 884961377 /nfs/dbraw/zinc/96/13/77/884961377.db2.gz QYUDHKMAJGEDFL-SSDOTTSWSA-N 1 0 253.262 -0.205 20 5 CBBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001443599949 912237140 /nfs/dbraw/zinc/23/71/40/912237140.db2.gz MIZVJKILSZFNFM-GMTAPVOTSA-N 1 0 270.333 -0.596 20 5 CBBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001443599952 912237582 /nfs/dbraw/zinc/23/75/82/912237582.db2.gz MIZVJKILSZFNFM-HBNTYKKESA-N 1 0 270.333 -0.596 20 5 CBBDRO O=[N+]([O-])c1ccn(CCN2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC001326583649 885075022 /nfs/dbraw/zinc/07/50/22/885075022.db2.gz KJCIVEAJCPAXGQ-LBPRGKRZSA-N 1 0 294.359 -0.229 20 5 CBBDRO CC[NH2+]CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001327073012 885246314 /nfs/dbraw/zinc/24/63/14/885246314.db2.gz MEXKSDNURORULO-UHFFFAOYSA-N 1 0 282.300 -0.128 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001328331449 885639743 /nfs/dbraw/zinc/63/97/43/885639743.db2.gz CIUGVDQBHWNWLS-QMMMGPOBSA-N 1 0 283.288 -0.563 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)(CO)CC2)n1 ZINC001328430324 885684584 /nfs/dbraw/zinc/68/45/84/885684584.db2.gz YHKVYNTWDSAYLV-UHFFFAOYSA-N 1 0 270.289 -0.390 20 5 CBBDRO C[C@H]([NH3+])C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001328479033 885703072 /nfs/dbraw/zinc/70/30/72/885703072.db2.gz UYEXJWZDIRHTHM-QMMMGPOBSA-N 1 0 282.304 -0.228 20 5 CBBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1CCn1ccc([N+](=O)[O-])n1 ZINC001328490930 885706631 /nfs/dbraw/zinc/70/66/31/885706631.db2.gz ZTILFUKPFFBGOQ-JTQLQIEISA-N 1 0 297.315 -0.372 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC2(C1)CC[NH2+]CC2 ZINC001328523721 885716080 /nfs/dbraw/zinc/71/60/80/885716080.db2.gz YLPMMUWJGFTJRF-UHFFFAOYSA-N 1 0 294.315 -0.212 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCC[NH2+]1 ZINC001329118294 885939303 /nfs/dbraw/zinc/93/93/03/885939303.db2.gz MZNJRDQXNOAPLF-ZETCQYMHSA-N 1 0 254.250 -0.946 20 5 CBBDRO CNC(=O)[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001329426496 886062182 /nfs/dbraw/zinc/06/21/82/886062182.db2.gz FCVKEUXMLHPVTD-WDEREUQCSA-N 1 0 283.284 -0.675 20 5 CBBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001329483830 886088987 /nfs/dbraw/zinc/08/89/87/886088987.db2.gz NKRGYJCLPWZXFV-JTQLQIEISA-N 1 0 294.311 -0.176 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)n1 ZINC001447363201 913063609 /nfs/dbraw/zinc/06/36/09/913063609.db2.gz RLDPXVSKNJEPPK-GFCCVEGCSA-N 1 0 297.315 -0.392 20 5 CBBDRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001331016746 886646466 /nfs/dbraw/zinc/64/64/66/886646466.db2.gz RYPHSRKFCZJCCY-VXGBXAGGSA-N 1 0 285.344 -0.043 20 5 CBBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001332400399 887260457 /nfs/dbraw/zinc/26/04/57/887260457.db2.gz LMPNPVHULHZWTH-SECBINFHSA-N 1 0 282.304 -0.356 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC001334770335 888320277 /nfs/dbraw/zinc/32/02/77/888320277.db2.gz HDMWISMRPQNTSG-OPRDCNLKSA-N 1 0 256.262 -0.735 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(CO)CCOCC1 ZINC001336109462 888694540 /nfs/dbraw/zinc/69/45/40/888694540.db2.gz RZMSEFREMSAQCE-UHFFFAOYSA-N 1 0 297.311 -0.112 20 5 CBBDRO O=[N+]([O-])CCN1CCC[C@H](n2cc(CO)nn2)C1 ZINC001341498540 889609635 /nfs/dbraw/zinc/60/96/35/889609635.db2.gz KUZDRZNXBMKGBL-JTQLQIEISA-N 1 0 255.278 -0.316 20 5 CBBDRO CN1CC[C@@H](N2CCC([NH2+]CC[N+](=O)[O-])CC2)C1=O ZINC001346339140 890271250 /nfs/dbraw/zinc/27/12/50/890271250.db2.gz KEWXCYYNZUFWBD-LLVKDONJSA-N 1 0 270.333 -0.452 20 5 CBBDRO Cc1nn(C)c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC001348480591 890631582 /nfs/dbraw/zinc/63/15/82/890631582.db2.gz ZQTNQZKAXUMTNB-SECBINFHSA-N 1 0 297.315 -0.567 20 5 CBBDRO CC[NH2+][C@H](C)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001349417484 890810534 /nfs/dbraw/zinc/81/05/34/890810534.db2.gz GDSARISKPJNCMU-SECBINFHSA-N 1 0 282.300 -0.129 20 5 CBBDRO C[C@](CO)([NH2+]C[C@@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC001460623351 914804008 /nfs/dbraw/zinc/80/40/08/914804008.db2.gz ZMJQTIXZYAYHCO-VXGBXAGGSA-N 1 0 270.285 -0.255 20 5 CBBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001472548347 915748512 /nfs/dbraw/zinc/74/85/12/915748512.db2.gz ZLJQVYKVJQKWPU-NSHDSACASA-N 1 0 285.304 -0.250 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1N1CCC([NH3+])(CO)CC1 ZINC001472718260 915761404 /nfs/dbraw/zinc/76/14/04/915761404.db2.gz UUCWZDXBXRZAFX-UHFFFAOYSA-N 1 0 255.278 -0.382 20 5 CBBDRO C[NH+](C)CC1(O)CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001472844535 915770834 /nfs/dbraw/zinc/77/08/34/915770834.db2.gz VBTGCAYFVFACGS-UHFFFAOYSA-N 1 0 296.331 -0.140 20 5 CBBDRO O=C(NC/C=C\C[NH2+]CCCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483006977 917374009 /nfs/dbraw/zinc/37/40/09/917374009.db2.gz CBXPRNWDVNXLPI-BSANDHCLSA-N 1 0 257.290 -0.704 20 5 CBBDRO C[N@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001492249098 919374501 /nfs/dbraw/zinc/37/45/01/919374501.db2.gz AODRATKMGFAODX-GHMZBOCLSA-N 1 0 298.343 -0.774 20 5 CBBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(N)=O ZINC001493858939 919632094 /nfs/dbraw/zinc/63/20/94/919632094.db2.gz KLQJKCDPCCHPEA-NXEZZACHSA-N 1 0 286.332 -0.646 20 5 CBBDRO CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001498174441 920509879 /nfs/dbraw/zinc/50/98/79/920509879.db2.gz DALSTIIEJSOMKN-GHMZBOCLSA-N 1 0 298.343 -0.680 20 5 CBBDRO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001515515178 922235511 /nfs/dbraw/zinc/23/55/11/922235511.db2.gz PZRHPUNBCFEOQF-WOFXILAISA-N 1 0 292.295 -0.567 20 5 CBBDRO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001544139075 923298859 /nfs/dbraw/zinc/29/88/59/923298859.db2.gz JHNYCYIFKPTNEV-SCZZXKLOSA-N 1 0 296.331 -0.318 20 5 CBBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001557695413 924130968 /nfs/dbraw/zinc/13/09/68/924130968.db2.gz SWRUHCPIWBSOAS-UHFFFAOYSA-N 1 0 271.277 -0.686 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558548911 924181087 /nfs/dbraw/zinc/18/10/87/924181087.db2.gz JTVQXRQNOXMHPR-SSDOTTSWSA-N 1 0 281.272 -0.479 20 5 CBBDRO C[C@@H]1C[NH2+]CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000124628824 187146736 /nfs/dbraw/zinc/14/67/36/187146736.db2.gz TVLCSNSNACEFLJ-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[NH2+]C1 ZINC000126846598 187265888 /nfs/dbraw/zinc/26/58/88/187265888.db2.gz QOOWJTQBPSZHCH-QMMMGPOBSA-N 1 0 253.262 -0.341 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000351829396 219218593 /nfs/dbraw/zinc/21/85/93/219218593.db2.gz BDSDGIPHAGDOFA-IUCAKERBSA-N 1 0 267.289 -0.013 20 5 CBBDRO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000092394801 180377045 /nfs/dbraw/zinc/37/70/45/180377045.db2.gz XTQCMHIDUSYWPG-GHMZBOCLSA-N 1 0 272.305 -0.241 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[NH2+]CC1 ZINC000043403877 351441707 /nfs/dbraw/zinc/44/17/07/351441707.db2.gz VCDNHGJKOFFDMM-UHFFFAOYSA-N 1 0 253.262 -0.387 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000037882052 351410136 /nfs/dbraw/zinc/41/01/36/351410136.db2.gz BYTAMAXDRVHIEN-GHMZBOCLSA-N 1 0 270.289 -0.079 20 5 CBBDRO CC[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037888173 351410179 /nfs/dbraw/zinc/41/01/79/351410179.db2.gz OHTZDYFKOQFSTR-SCZZXKLOSA-N 1 0 258.278 -0.487 20 5 CBBDRO Cn1c(C(=O)NCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000040507975 351416846 /nfs/dbraw/zinc/41/68/46/351416846.db2.gz PYKZKWMDKPKJFL-UHFFFAOYSA-N 1 0 295.299 -0.905 20 5 CBBDRO C[C@@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835088 351420249 /nfs/dbraw/zinc/42/02/49/351420249.db2.gz CGMNCMIMVIVJOF-SECBINFHSA-N 1 0 279.300 -0.014 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCn2ccnc2)c1 ZINC000049076857 351486345 /nfs/dbraw/zinc/48/63/45/351486345.db2.gz SSIYMKOQVORSCR-NSHDSACASA-N 1 0 280.288 -0.362 20 5 CBBDRO C[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000054377248 351535974 /nfs/dbraw/zinc/53/59/74/351535974.db2.gz DGNIEXPXYVVOIG-UHFFFAOYSA-N 1 0 281.316 -0.100 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000071304733 351643458 /nfs/dbraw/zinc/64/34/58/351643458.db2.gz LULOMGOMDYMRDL-GHMZBOCLSA-N 1 0 270.289 -0.487 20 5 CBBDRO CCNC(=O)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075642593 351669499 /nfs/dbraw/zinc/66/94/99/351669499.db2.gz ILWUCBVTSOWPLN-JTQLQIEISA-N 1 0 285.304 -0.780 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCOCC2)c1 ZINC000075675097 351670232 /nfs/dbraw/zinc/67/02/32/351670232.db2.gz UTHXONVXZYEHDT-LLVKDONJSA-N 1 0 270.289 -0.126 20 5 CBBDRO CN1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000075752620 351671067 /nfs/dbraw/zinc/67/10/67/351671067.db2.gz GCMHBXPWGNENKT-QWRGUYRKSA-N 1 0 297.315 -0.685 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)c1 ZINC000089169414 351729000 /nfs/dbraw/zinc/72/90/00/351729000.db2.gz PXTCBVFGPCKQMO-USWWRNFRSA-N 1 0 284.316 -0.097 20 5 CBBDRO COc1ccc(S(=O)(=O)NC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000090289247 351739976 /nfs/dbraw/zinc/73/99/76/351739976.db2.gz ZTOWNZIGPZDVAM-UHFFFAOYSA-N 1 0 287.297 -0.147 20 5 CBBDRO COCC[N@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525270 351741254 /nfs/dbraw/zinc/74/12/54/351741254.db2.gz IKDDYOSCTAFGJU-UHFFFAOYSA-N 1 0 285.300 -0.303 20 5 CBBDRO O=C(C1C[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000091415176 351744151 /nfs/dbraw/zinc/74/41/51/351744151.db2.gz NCJLIDONSAKFEA-UHFFFAOYSA-N 1 0 291.311 -0.142 20 5 CBBDRO C[C@H](CCO)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000097440673 351778081 /nfs/dbraw/zinc/77/80/81/351778081.db2.gz RXPMVWDLWYDFJD-KOLCDFICSA-N 1 0 272.305 -0.240 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(CCO)CC2)c1 ZINC000097818116 351779175 /nfs/dbraw/zinc/77/91/75/351779175.db2.gz YEOMASSKKFDVKI-LLVKDONJSA-N 1 0 284.316 -0.096 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107571777 351794815 /nfs/dbraw/zinc/79/48/15/351794815.db2.gz YBKMFZCAVOLJOE-HTQZYQBOSA-N 1 0 277.284 -0.256 20 5 CBBDRO NC(=O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866671 351829788 /nfs/dbraw/zinc/82/97/88/351829788.db2.gz ODPYATZYLOEAAH-QMMMGPOBSA-N 1 0 265.273 -0.039 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000124181310 187125374 /nfs/dbraw/zinc/12/53/74/187125374.db2.gz DQDOBIRSUSUHLA-VIFPVBQESA-N 1 0 267.289 -0.032 20 5 CBBDRO CC(C)(C)[N@@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131147529 351883529 /nfs/dbraw/zinc/88/35/29/351883529.db2.gz FSTVDSIGOJNMFS-SNVBAGLBSA-N 1 0 299.331 -0.262 20 5 CBBDRO CC[C@@H](O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135043650 351911415 /nfs/dbraw/zinc/91/14/15/351911415.db2.gz ZBYFAAPDNBZTCR-MNOVXSKESA-N 1 0 272.305 -0.097 20 5 CBBDRO CNC(=O)CCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000155337322 351950008 /nfs/dbraw/zinc/95/00/08/351950008.db2.gz CJNOIQVWKTUQSC-LLVKDONJSA-N 1 0 299.331 -0.390 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000159733988 351965344 /nfs/dbraw/zinc/96/53/44/351965344.db2.gz HLLCNTBHELPHFV-ZYHUDNBSSA-N 1 0 284.316 -0.001 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000165549948 351985262 /nfs/dbraw/zinc/98/52/62/351985262.db2.gz KXJUBVGXICHTDR-MRVPVSSYSA-N 1 0 254.246 -0.277 20 5 CBBDRO [NH3+]CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169191196 351996373 /nfs/dbraw/zinc/99/63/73/351996373.db2.gz BQIRGXSQIGVWGV-QMMMGPOBSA-N 1 0 265.273 -0.039 20 5 CBBDRO C[NH+](C)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000170867477 352004303 /nfs/dbraw/zinc/00/43/03/352004303.db2.gz VFTPTCDOAAVMJY-VIFPVBQESA-N 1 0 267.289 -0.046 20 5 CBBDRO COCCN(CCn1ccc([N+](=O)[O-])n1)CC(=O)N(C)C ZINC000176245417 352063681 /nfs/dbraw/zinc/06/36/81/352063681.db2.gz GZIVZIBCCMHWSA-UHFFFAOYSA-N 1 0 299.331 -0.172 20 5 CBBDRO C[C@@H](O)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173799703 352041235 /nfs/dbraw/zinc/04/12/35/352041235.db2.gz NTJYTNGCEUJWMW-SCZZXKLOSA-N 1 0 258.278 -0.535 20 5 CBBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000186761189 352131814 /nfs/dbraw/zinc/13/18/14/352131814.db2.gz WRQPJKCGNZPVNQ-ONGXEEELSA-N 1 0 294.311 -0.129 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](O)C[C@@H]2CO)n1 ZINC000185175842 352116689 /nfs/dbraw/zinc/11/66/89/352116689.db2.gz LJWMXKDUIBZBJP-BDAKNGLRSA-N 1 0 256.262 -0.781 20 5 CBBDRO CNC(=O)C(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000230396133 352273686 /nfs/dbraw/zinc/27/36/86/352273686.db2.gz DQFLBSRNRQGPAP-JTQLQIEISA-N 1 0 299.331 -0.486 20 5 CBBDRO CC[NH2+]CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000236904882 352296000 /nfs/dbraw/zinc/29/60/00/352296000.db2.gz XDJAYJWYIQWPRB-UHFFFAOYSA-N 1 0 255.278 -0.093 20 5 CBBDRO COCC[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237288649 352303081 /nfs/dbraw/zinc/30/30/81/352303081.db2.gz VRCUFXLDAZIXBB-UHFFFAOYSA-N 1 0 298.299 -0.891 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH2+]C1CC1 ZINC000237576275 352307118 /nfs/dbraw/zinc/30/71/18/352307118.db2.gz BSIHGBYSXBKZFY-UHFFFAOYSA-N 1 0 267.289 -0.032 20 5 CBBDRO CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247226932 352345178 /nfs/dbraw/zinc/34/51/78/352345178.db2.gz CZVQRAWAACHZFR-GHMZBOCLSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261691225 352393845 /nfs/dbraw/zinc/39/38/45/352393845.db2.gz INVLLAOXZOCQJC-IUCAKERBSA-N 1 0 267.289 -0.013 20 5 CBBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000269241027 352464920 /nfs/dbraw/zinc/46/49/20/352464920.db2.gz CQBTYRUURQGKGZ-JTQLQIEISA-N 1 0 282.300 -0.144 20 5 CBBDRO CC(C)[C@H]([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000269294429 352465889 /nfs/dbraw/zinc/46/58/89/352465889.db2.gz VPBAYGCUKJHEPY-MRVPVSSYSA-N 1 0 255.278 -0.109 20 5 CBBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000269294430 352466452 /nfs/dbraw/zinc/46/64/52/352466452.db2.gz VPBAYGCUKJHEPY-QMMMGPOBSA-N 1 0 255.278 -0.109 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274985105 352550346 /nfs/dbraw/zinc/55/03/46/352550346.db2.gz QKVXFJZCKSVQRD-GFCCVEGCSA-N 1 0 298.299 -0.262 20 5 CBBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000279690727 352585250 /nfs/dbraw/zinc/58/52/50/352585250.db2.gz GBSAQVXVZXYOPY-MNOVXSKESA-N 1 0 284.316 -0.145 20 5 CBBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000279690731 352585696 /nfs/dbraw/zinc/58/56/96/352585696.db2.gz GBSAQVXVZXYOPY-WDEREUQCSA-N 1 0 284.316 -0.145 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[NH+]2[C@@H](CO)CC[C@@H]2CO)n1 ZINC000286735306 352648854 /nfs/dbraw/zinc/64/88/54/352648854.db2.gz BVFQCQLCIXKUOK-NXEZZACHSA-N 1 0 270.289 -0.391 20 5 CBBDRO CC(C)[C@@](C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000289472249 352664503 /nfs/dbraw/zinc/66/45/03/352664503.db2.gz ZCLQSGFDRKNHDB-CMPLNLGQSA-N 1 0 299.331 -0.358 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290174819 352672616 /nfs/dbraw/zinc/67/26/16/352672616.db2.gz PDAGJSKNLJJDAW-VHSXEESVSA-N 1 0 279.300 -0.141 20 5 CBBDRO COC[C@@H]1CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516157 352693740 /nfs/dbraw/zinc/69/37/40/352693740.db2.gz IJIWMWSMMXDVDX-GXSJLCMTSA-N 1 0 270.289 -0.127 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)C2CCC2)c1 ZINC000315851269 352780762 /nfs/dbraw/zinc/78/07/62/352780762.db2.gz FVTVKSQFKCWZQZ-RYUDHWBXSA-N 1 0 284.316 -0.097 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000315851270 352780931 /nfs/dbraw/zinc/78/09/31/352780931.db2.gz FVTVKSQFKCWZQZ-VXGBXAGGSA-N 1 0 284.316 -0.097 20 5 CBBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330579980 352851953 /nfs/dbraw/zinc/85/19/53/352851953.db2.gz PMWJLUUBILTFHB-UHFFFAOYSA-N 1 0 296.331 -0.014 20 5 CBBDRO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973315 353195682 /nfs/dbraw/zinc/19/56/82/353195682.db2.gz PKHWYFCBFFOZFG-MIMYLULJSA-N 1 0 270.289 -0.393 20 5 CBBDRO C[C@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000342762061 353231613 /nfs/dbraw/zinc/23/16/13/353231613.db2.gz UUKYQEYAPHGPPM-NSHDSACASA-N 1 0 282.304 -0.308 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[NH2+]C1 ZINC000342761029 353232023 /nfs/dbraw/zinc/23/20/23/353232023.db2.gz RHYMMOWCSJHJEB-VIFPVBQESA-N 1 0 267.289 -0.093 20 5 CBBDRO C[C@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCC[N@@H+]1C ZINC000343565594 353278969 /nfs/dbraw/zinc/27/89/69/353278969.db2.gz RUSZWJHHLGXTAD-IUCAKERBSA-N 1 0 282.304 -0.215 20 5 CBBDRO C[N@H+](CCCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000349919198 353467735 /nfs/dbraw/zinc/46/77/35/353467735.db2.gz GUVWPXDJCAQPCO-NSHDSACASA-N 1 0 272.305 -0.144 20 5 CBBDRO C[N@@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 ZINC000352910510 353510615 /nfs/dbraw/zinc/51/06/15/353510615.db2.gz DQGNKGVCJVSUSQ-MRVPVSSYSA-N 1 0 280.284 -0.193 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353222590 353528900 /nfs/dbraw/zinc/52/89/00/353528900.db2.gz ZWGNXHZGZVEBHJ-ZETCQYMHSA-N 1 0 289.317 -0.549 20 5 CBBDRO CN1CC[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000352657296 353499110 /nfs/dbraw/zinc/49/91/10/353499110.db2.gz GCMHBXPWGNENKT-GHMZBOCLSA-N 1 0 297.315 -0.685 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000358080971 353625451 /nfs/dbraw/zinc/62/54/51/353625451.db2.gz QSKLAPISBDDRLF-LBPRGKRZSA-N 1 0 295.299 -0.632 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000358043415 353620833 /nfs/dbraw/zinc/62/08/33/353620833.db2.gz HOEPZCGMFVLZGN-GFCCVEGCSA-N 1 0 297.315 -0.636 20 5 CBBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000408145356 353858311 /nfs/dbraw/zinc/85/83/11/353858311.db2.gz RSWQYSBIWCNDFB-UWVGGRQHSA-N 1 0 294.315 -0.261 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C[N@@H+]1C ZINC000408071588 353844298 /nfs/dbraw/zinc/84/42/98/353844298.db2.gz OBBLRIXXDNAFCG-BDAKNGLRSA-N 1 0 282.304 -0.263 20 5 CBBDRO Nc1c(C(=O)NC[C@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423986607 354207150 /nfs/dbraw/zinc/20/71/50/354207150.db2.gz GCYKDQWBNLEZNT-MRVPVSSYSA-N 1 0 280.284 -0.105 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447921119 354309240 /nfs/dbraw/zinc/30/92/40/354309240.db2.gz JLQSDNVIMBPPGB-RYUDHWBXSA-N 1 0 297.311 -0.114 20 5 CBBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452379170 354349688 /nfs/dbraw/zinc/34/96/88/354349688.db2.gz QLXMYGSZEMQJRY-SECBINFHSA-N 1 0 297.315 -0.106 20 5 CBBDRO C[NH+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533534699 354593329 /nfs/dbraw/zinc/59/33/29/354593329.db2.gz JUKLENRRNFQOCX-UHFFFAOYSA-N 1 0 274.302 -0.170 20 5 CBBDRO C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000546103497 354651266 /nfs/dbraw/zinc/65/12/66/354651266.db2.gz CQLVOSLTFGABDJ-NEPJUHHUSA-N 1 0 284.316 -0.001 20 5 CBBDRO O=C(NCC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000566206601 354757506 /nfs/dbraw/zinc/75/75/06/354757506.db2.gz JWNDFKQGGGHNGG-UHFFFAOYSA-N 1 0 251.246 -0.033 20 5 CBBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)NCC[NH+](C)C ZINC000567178650 354782351 /nfs/dbraw/zinc/78/23/51/354782351.db2.gz MPNYDJZBSRPNBX-ZETCQYMHSA-N 1 0 298.303 -0.886 20 5 CBBDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565598420 354741145 /nfs/dbraw/zinc/74/11/45/354741145.db2.gz YKVFYAYXTIHJCZ-ZETCQYMHSA-N 1 0 274.302 -0.137 20 5 CBBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590044108 355073572 /nfs/dbraw/zinc/07/35/72/355073572.db2.gz GYCRAVMTCBZOMU-ONGXEEELSA-N 1 0 279.300 -0.046 20 5 CBBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000590371623 355076285 /nfs/dbraw/zinc/07/62/85/355076285.db2.gz PANIQSLVQVPHBE-QMMMGPOBSA-N 1 0 283.288 -0.496 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000588864650 355061879 /nfs/dbraw/zinc/06/18/79/355061879.db2.gz LLGVIMGWAWKJRB-MRVPVSSYSA-N 1 0 282.300 -0.171 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000588866126 355062083 /nfs/dbraw/zinc/06/20/83/355062083.db2.gz BGGWSYIFWDMQKO-ZETCQYMHSA-N 1 0 256.262 -0.425 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000588866125 355062456 /nfs/dbraw/zinc/06/24/56/355062456.db2.gz BGGWSYIFWDMQKO-SSDOTTSWSA-N 1 0 256.262 -0.425 20 5 CBBDRO Cc1nn(C)c(N[C@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000589102035 355064667 /nfs/dbraw/zinc/06/46/67/355064667.db2.gz ULOHUNSMKYBAQY-QMMMGPOBSA-N 1 0 257.294 -0.029 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cn[nH]c2)c1 ZINC000591771755 355113460 /nfs/dbraw/zinc/11/34/60/355113460.db2.gz HPSRATDASSWUHG-LLVKDONJSA-N 1 0 280.288 -0.292 20 5 CBBDRO C[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000592546920 355161053 /nfs/dbraw/zinc/16/10/53/355161053.db2.gz LMOOXYCHDGUNFF-SSDOTTSWSA-N 1 0 254.246 -0.780 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592308961 355147129 /nfs/dbraw/zinc/14/71/29/355147129.db2.gz PHBNDTVNNFTAOA-WPRPVWTQSA-N 1 0 297.315 -0.326 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308916 355147311 /nfs/dbraw/zinc/14/73/11/355147311.db2.gz PBTBEQLXPPPXTA-HTRCEHHLSA-N 1 0 283.288 -0.185 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000592308400 355147351 /nfs/dbraw/zinc/14/73/51/355147351.db2.gz LIUIEOGZDDNTNE-SVRRBLITSA-N 1 0 269.261 -0.494 20 5 CBBDRO CC1(C)C[NH2+]CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000592473465 355156023 /nfs/dbraw/zinc/15/60/23/355156023.db2.gz QSZIOHXLXRMQOZ-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO C[NH+](C)CCN1CCN(c2ncc([N+](=O)[O-])cn2)CC1=O ZINC000593486183 355206772 /nfs/dbraw/zinc/20/67/72/355206772.db2.gz OSKPFPPXRSYNCM-UHFFFAOYSA-N 1 0 294.315 -0.405 20 5 CBBDRO C[C@@H](CCO)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593107857 355195272 /nfs/dbraw/zinc/19/52/72/355195272.db2.gz PFUUHQFJONCYSC-GXSJLCMTSA-N 1 0 272.305 -0.145 20 5 CBBDRO C[C@@H](CCO)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593107868 355195311 /nfs/dbraw/zinc/19/53/11/355195311.db2.gz PFUUHQFJONCYSC-ONGXEEELSA-N 1 0 272.305 -0.145 20 5 CBBDRO C[C@@H](O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000594064170 355236105 /nfs/dbraw/zinc/23/61/05/355236105.db2.gz KZRRLDACWPUBBA-SKDRFNHKSA-N 1 0 284.316 -0.003 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595261177 355275189 /nfs/dbraw/zinc/27/51/89/355275189.db2.gz URPOJUOBZSLDDN-RKDXNWHRSA-N 1 0 285.279 -0.003 20 5 CBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O ZINC000594873899 355265873 /nfs/dbraw/zinc/26/58/73/355265873.db2.gz QOMRCZFUNIBJMN-SFYZADRCSA-N 1 0 294.267 -0.428 20 5 CBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O ZINC000594873898 355266211 /nfs/dbraw/zinc/26/62/11/355266211.db2.gz QOMRCZFUNIBJMN-JGVFFNPUSA-N 1 0 294.267 -0.428 20 5 CBBDRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595107327 355271285 /nfs/dbraw/zinc/27/12/85/355271285.db2.gz JAHPCQYAQMPRJJ-LJGSYFOKSA-N 1 0 272.286 -0.242 20 5 CBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000595108943 355271410 /nfs/dbraw/zinc/27/14/10/355271410.db2.gz WGPIZYLDHZHVFG-DTORHVGOSA-N 1 0 298.324 -0.170 20 5 CBBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595104010 355271430 /nfs/dbraw/zinc/27/14/30/355271430.db2.gz AWKXVKVWSVGOTM-MRVPVSSYSA-N 1 0 286.313 -0.028 20 5 CBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2C[NH2+]C2)nc1 ZINC000595102628 355271589 /nfs/dbraw/zinc/27/15/89/355271589.db2.gz PALUWNGEGGWMCU-UHFFFAOYSA-N 1 0 258.259 -0.760 20 5 CBBDRO C[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595107230 355271671 /nfs/dbraw/zinc/27/16/71/355271671.db2.gz GNWVJOLQHBGPJE-LURJTMIESA-N 1 0 260.275 -0.385 20 5 CBBDRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595107323 355271681 /nfs/dbraw/zinc/27/16/81/355271681.db2.gz JAHPCQYAQMPRJJ-KNVOCYPGSA-N 1 0 272.286 -0.242 20 5 CBBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595103232 355271744 /nfs/dbraw/zinc/27/17/44/355271744.db2.gz XPZOSYHCFPKGTP-QMMMGPOBSA-N 1 0 286.313 -0.028 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2C[NH2+]CCO2)c1 ZINC000594699204 355258473 /nfs/dbraw/zinc/25/84/73/355258473.db2.gz REDMBPPGLVEKIY-VIFPVBQESA-N 1 0 297.267 -0.469 20 5 CBBDRO [NH3+][C@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694786 355258503 /nfs/dbraw/zinc/25/85/03/355258503.db2.gz SZNCBGQSPKCJBP-RQJHMYQMSA-N 1 0 283.313 -0.201 20 5 CBBDRO C[NH2+]C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000595981528 355334843 /nfs/dbraw/zinc/33/48/43/355334843.db2.gz DUJWBPDINALHPF-QMMMGPOBSA-N 1 0 255.278 -0.095 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)C2CCC2)c1 ZINC000595617949 355298401 /nfs/dbraw/zinc/29/84/01/355298401.db2.gz VRSYTGVUNIILKH-VXGBXAGGSA-N 1 0 284.316 -0.097 20 5 CBBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595664756 355299950 /nfs/dbraw/zinc/29/99/50/355299950.db2.gz UDJIXJQSNQVTGD-VHSXEESVSA-N 1 0 284.272 -0.289 20 5 CBBDRO C[NH2+]C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000595984114 355335724 /nfs/dbraw/zinc/33/57/24/355335724.db2.gz VFQVUBNWVIFWPO-SSDOTTSWSA-N 1 0 255.278 -0.176 20 5 CBBDRO [NH3+]CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000595900403 355315557 /nfs/dbraw/zinc/31/55/57/355315557.db2.gz FLTNDESSFKHUPE-GFCCVEGCSA-N 1 0 269.301 -0.291 20 5 CBBDRO COc1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1[N+](=O)[O-] ZINC000595930992 355320077 /nfs/dbraw/zinc/32/00/77/355320077.db2.gz DWJLOPCRHJWEGE-UHFFFAOYSA-N 1 0 281.268 -0.446 20 5 CBBDRO Cc1c(CNC(=O)C2(O)C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595952890 355326434 /nfs/dbraw/zinc/32/64/34/355326434.db2.gz BYXGYXOLJIZEIW-UHFFFAOYSA-N 1 0 265.269 -0.146 20 5 CBBDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000596066260 355339973 /nfs/dbraw/zinc/33/99/73/355339973.db2.gz AREXGPKOWWZXOO-QXEWZRGKSA-N 1 0 298.299 -0.307 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597654137 355403446 /nfs/dbraw/zinc/40/34/46/355403446.db2.gz OVJXADGDMFGAII-MRVPVSSYSA-N 1 0 270.289 -0.414 20 5 CBBDRO C[C@@H](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+](C)C ZINC000597992945 355426673 /nfs/dbraw/zinc/42/66/73/355426673.db2.gz PUGFYRGFIQTPOB-QMMMGPOBSA-N 1 0 270.293 -0.357 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000597573639 355397170 /nfs/dbraw/zinc/39/71/70/355397170.db2.gz HGZGGORCFCGQLR-GFCCVEGCSA-N 1 0 297.315 -0.153 20 5 CBBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097737 355463578 /nfs/dbraw/zinc/46/35/78/355463578.db2.gz MCZXPSFEXWGLMW-LURJTMIESA-N 1 0 277.306 -0.704 20 5 CBBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599095226 355463609 /nfs/dbraw/zinc/46/36/09/355463609.db2.gz BKEGBWCZBJEUCJ-SSDOTTSWSA-N 1 0 289.317 -0.689 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199636 355472589 /nfs/dbraw/zinc/47/25/89/355472589.db2.gz NYZVMFKMLQGRHE-VIFPVBQESA-N 1 0 295.299 -0.433 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599940244 355519616 /nfs/dbraw/zinc/51/96/16/355519616.db2.gz NDZACYUSOMZZIC-DTWKUNHWSA-N 1 0 295.299 -0.401 20 5 CBBDRO Nc1c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600807396 355567110 /nfs/dbraw/zinc/56/71/10/355567110.db2.gz BTZZFLKRGYHYIH-VIFPVBQESA-N 1 0 294.311 -0.027 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609383433 355768530 /nfs/dbraw/zinc/76/85/30/355768530.db2.gz NUZZCWVONIEGAL-JTQLQIEISA-N 1 0 294.315 -0.213 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000610369761 355777751 /nfs/dbraw/zinc/77/77/51/355777751.db2.gz UNSFKTMFVVZCOC-JTQLQIEISA-N 1 0 272.305 -0.145 20 5 CBBDRO CC[N@@H+](CC(=O)N(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610367555 355777793 /nfs/dbraw/zinc/77/77/93/355777793.db2.gz XTZDWGPYJNRLSP-LLVKDONJSA-N 1 0 299.331 -0.438 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000610604424 355782788 /nfs/dbraw/zinc/78/27/88/355782788.db2.gz RLUAPTROHORSMJ-DTORHVGOSA-N 1 0 256.262 -0.781 20 5 CBBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000294780151 199179233 /nfs/dbraw/zinc/17/92/33/199179233.db2.gz YZUVVTPGFMXRGO-PSASIEDQSA-N 1 0 297.315 -0.155 20 5 CBBDRO C[C@@H]([NH3+])CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000178688981 189137507 /nfs/dbraw/zinc/13/75/07/189137507.db2.gz SEEBJRLZZFYXMZ-MRVPVSSYSA-N 1 0 268.273 -0.390 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCC[NH2+]1 ZINC000178720487 189139756 /nfs/dbraw/zinc/13/97/56/189139756.db2.gz QNNHOEAKORLOSF-QMMMGPOBSA-N 1 0 253.262 -0.341 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCC[NH2+]1 ZINC000178779184 189145079 /nfs/dbraw/zinc/14/50/79/189145079.db2.gz GAXHOPKYASRBJD-SECBINFHSA-N 1 0 280.284 -0.375 20 5 CBBDRO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[NH2+]C1 ZINC000179112615 189170454 /nfs/dbraw/zinc/17/04/54/189170454.db2.gz SBMJKEZAXGJUPN-SECBINFHSA-N 1 0 280.284 -0.423 20 5 CBBDRO O=C(NC[C@@H]1CN2CCN1CC2)c1[nH]ncc1[N+](=O)[O-] ZINC000179184771 189175532 /nfs/dbraw/zinc/17/55/32/189175532.db2.gz MBIGKSDUJIXHJZ-MRVPVSSYSA-N 1 0 280.288 -0.953 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]1 ZINC000182619903 189329247 /nfs/dbraw/zinc/32/92/47/189329247.db2.gz ALJJHJSANMHBBO-VIFPVBQESA-N 1 0 253.262 -0.341 20 5 CBBDRO [NH3+]CCN(CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342423326 216346829 /nfs/dbraw/zinc/34/68/29/216346829.db2.gz PBDQSOWUOAWYHW-UHFFFAOYSA-N 1 0 282.300 -0.214 20 5 CBBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186707002 189447942 /nfs/dbraw/zinc/44/79/42/189447942.db2.gz ZFSLFOSAOWNECT-SCZZXKLOSA-N 1 0 267.289 -0.095 20 5 CBBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330675915 203105930 /nfs/dbraw/zinc/10/59/30/203105930.db2.gz STGDUNHMBBDHRL-SECBINFHSA-N 1 0 282.304 -0.261 20 5 CBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000330695130 203125325 /nfs/dbraw/zinc/12/53/25/203125325.db2.gz IZXBIKWLRZYKNA-JTQLQIEISA-N 1 0 296.331 -0.847 20 5 CBBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330923216 203392822 /nfs/dbraw/zinc/39/28/22/203392822.db2.gz CNLOORSKKUUHLG-SECBINFHSA-N 1 0 282.304 -0.261 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCC1 ZINC000337321964 214006045 /nfs/dbraw/zinc/00/60/45/214006045.db2.gz QSCLBMDQYWBYSF-UHFFFAOYSA-N 1 0 253.262 -0.387 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000344067569 217035376 /nfs/dbraw/zinc/03/53/76/217035376.db2.gz PVEHDEWHQRQEBL-ZBAXXZLZSA-N 1 0 296.327 -0.145 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000344067562 217035981 /nfs/dbraw/zinc/03/59/81/217035981.db2.gz PVEHDEWHQRQEBL-RYDUCSDGSA-N 1 0 296.327 -0.145 20 5 CBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH3+] ZINC000237551140 189881142 /nfs/dbraw/zinc/88/11/42/189881142.db2.gz RBVZTOFYBWRQKK-MRVPVSSYSA-N 1 0 280.284 -0.212 20 5 CBBDRO O=C(NCC1CC[NH+](CCO)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000344404660 217182709 /nfs/dbraw/zinc/18/27/09/217182709.db2.gz ZJUJHIIAEHXNCM-UHFFFAOYSA-N 1 0 297.315 -0.248 20 5 CBBDRO [NH3+][C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000237995912 189896665 /nfs/dbraw/zinc/89/66/65/189896665.db2.gz RYYRDEZZLINUIA-QMMMGPOBSA-N 1 0 253.262 -0.355 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285948928 372949400 /nfs/dbraw/zinc/94/94/00/372949400.db2.gz CGDXQPCDTGKZAN-UHFFFAOYSA-N 1 0 271.277 -0.638 20 5 CBBDRO CC1(C)[C@H](O)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361420761 373292428 /nfs/dbraw/zinc/29/24/28/373292428.db2.gz PIZKTBPPTNTXPI-WDEREUQCSA-N 1 0 284.316 -0.003 20 5 CBBDRO C[C@@]1(C(N)=O)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361558172 373309093 /nfs/dbraw/zinc/30/90/93/373309093.db2.gz VAXNRHASEZXPSG-CMPLNLGQSA-N 1 0 297.315 -0.651 20 5 CBBDRO CO[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361371678 373285630 /nfs/dbraw/zinc/28/56/30/373285630.db2.gz IKCQFSKWNDMRBJ-WDEREUQCSA-N 1 0 270.289 -0.127 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397046 373402720 /nfs/dbraw/zinc/40/27/20/373402720.db2.gz QMNPXVZYWKVKIO-RKDXNWHRSA-N 1 0 295.299 -0.089 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000514672379 373760254 /nfs/dbraw/zinc/76/02/54/373760254.db2.gz NEYRYBMJDKNFSL-ZCFIWIBFSA-N 1 0 255.234 -0.882 20 5 CBBDRO CC[NH+]1CCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000514749383 373763648 /nfs/dbraw/zinc/76/36/48/373763648.db2.gz WQSPASFCHHURSE-UHFFFAOYSA-N 1 0 296.331 -0.315 20 5 CBBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000262339758 190053339 /nfs/dbraw/zinc/05/33/39/190053339.db2.gz HSTOREMPEISMNE-VIFPVBQESA-N 1 0 280.284 -0.023 20 5 CBBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000264018330 190089232 /nfs/dbraw/zinc/08/92/32/190089232.db2.gz NWTRYBSHKHHRJF-SECBINFHSA-N 1 0 267.289 -0.046 20 5 CBBDRO C[C@H]1COCCN1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356467316 248255583 /nfs/dbraw/zinc/25/55/83/248255583.db2.gz ZMGCRAFZWIQAMJ-VIFPVBQESA-N 1 0 297.315 -0.221 20 5 CBBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356870079 248295486 /nfs/dbraw/zinc/29/54/86/248295486.db2.gz CXQPOMRPSYSSIA-DTWKUNHWSA-N 1 0 282.304 -0.263 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000356926264 248301103 /nfs/dbraw/zinc/30/11/03/248301103.db2.gz SQLGKBIEJOVXFQ-NXEZZACHSA-N 1 0 294.311 -0.035 20 5 CBBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357295159 248347463 /nfs/dbraw/zinc/34/74/63/248347463.db2.gz JTWOCKPBKPGEJD-MRTMQBJTSA-N 1 0 282.304 -0.311 20 5 CBBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357366466 248353882 /nfs/dbraw/zinc/35/38/82/248353882.db2.gz RXGBYPYSXXQNMX-VIFPVBQESA-N 1 0 282.304 -0.084 20 5 CBBDRO CC[N@H+](C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000264947884 190147007 /nfs/dbraw/zinc/14/70/07/190147007.db2.gz XNCJHVSWZNUOSE-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO C[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000265293845 190172961 /nfs/dbraw/zinc/17/29/61/190172961.db2.gz OPKVIWISEHHHFE-UHFFFAOYSA-N 1 0 294.311 -0.079 20 5 CBBDRO C[C@@H](O)CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266512029 190262662 /nfs/dbraw/zinc/26/26/62/190262662.db2.gz BMQQXPAEODFRPC-MWLCHTKSSA-N 1 0 272.305 -0.145 20 5 CBBDRO CCN(CC(=O)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266552327 190266380 /nfs/dbraw/zinc/26/63/80/190266380.db2.gz UMCMCXIFANUBFM-SNVBAGLBSA-N 1 0 286.288 -0.353 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000347791909 218357607 /nfs/dbraw/zinc/35/76/07/218357607.db2.gz JTXDVIILQUVDHS-UHFFFAOYSA-N 1 0 285.304 -0.778 20 5 CBBDRO C[N@H+]1C[C@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@H]2C1 ZINC000279228723 194343215 /nfs/dbraw/zinc/34/32/15/194343215.db2.gz QSMVRLMTLKCGMV-OCAPTIKFSA-N 1 0 265.273 -0.049 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000426257373 208045440 /nfs/dbraw/zinc/04/54/40/208045440.db2.gz VPZJLVZWIISJRA-ZYHUDNBSSA-N 1 0 284.316 -0.001 20 5 CBBDRO [NH3+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000428736451 208100327 /nfs/dbraw/zinc/10/03/27/208100327.db2.gz HNWRXCWFCQAQEX-MRVPVSSYSA-N 1 0 296.283 -0.133 20 5 CBBDRO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC[NH2+]CC1 ZINC000428300606 208083904 /nfs/dbraw/zinc/08/39/04/208083904.db2.gz HYBHRTKOXZGJME-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO C[NH2+][C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000428412609 208086543 /nfs/dbraw/zinc/08/65/43/208086543.db2.gz INRIXEDEWPYDTM-VIFPVBQESA-N 1 0 267.289 -0.080 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000428651107 208095528 /nfs/dbraw/zinc/09/55/28/208095528.db2.gz KLXICASIIVJLRB-MRVPVSSYSA-N 1 0 253.262 -0.422 20 5 CBBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429184486 208115099 /nfs/dbraw/zinc/11/50/99/208115099.db2.gz BQCIJSPHEHAHPP-YUMQZZPRSA-N 1 0 268.277 -0.570 20 5 CBBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000432514614 208225673 /nfs/dbraw/zinc/22/56/73/208225673.db2.gz MXDZAUNEORSXCK-IUCAKERBSA-N 1 0 267.289 -0.095 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353763167 220314790 /nfs/dbraw/zinc/31/47/90/220314790.db2.gz SRSGTWUQIXNVMF-SFYZADRCSA-N 1 0 265.273 -0.001 20 5 CBBDRO C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000275381096 135105857 /nfs/dbraw/zinc/10/58/57/135105857.db2.gz PDPGNIWGUVTANI-RKDXNWHRSA-N 1 0 296.331 -0.142 20 5 CBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000038031262 174025252 /nfs/dbraw/zinc/02/52/52/174025252.db2.gz KIQYHZZJDAIDSL-UHFFFAOYSA-N 1 0 295.299 -0.573 20 5 CBBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040676267 174373718 /nfs/dbraw/zinc/37/37/18/174373718.db2.gz SEJDAUWGLFXQHQ-NEPJUHHUSA-N 1 0 279.296 -0.024 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366998176 226189941 /nfs/dbraw/zinc/18/99/41/226189941.db2.gz VPDOGMYBZSECDN-MNOVXSKESA-N 1 0 295.299 -0.619 20 5 CBBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000193582957 419547781 /nfs/dbraw/zinc/54/77/81/419547781.db2.gz CLNPGVMBYWRBEK-WCBMZHEXSA-N 1 0 267.289 -0.095 20 5 CBBDRO CC[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194689772 419555279 /nfs/dbraw/zinc/55/52/79/419555279.db2.gz JHCXKIFAOGNQKO-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000237359317 419585001 /nfs/dbraw/zinc/58/50/01/419585001.db2.gz FCNMLGJHISJGRW-BDAKNGLRSA-N 1 0 282.304 -0.085 20 5 CBBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000237919370 419587955 /nfs/dbraw/zinc/58/79/55/419587955.db2.gz RYCKLWLQTNQDIC-DTWKUNHWSA-N 1 0 282.304 -0.180 20 5 CBBDRO CC(C)[C@](C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000289472255 419609412 /nfs/dbraw/zinc/60/94/12/419609412.db2.gz ZCLQSGFDRKNHDB-PWSUYJOCSA-N 1 0 299.331 -0.358 20 5 CBBDRO C[NH+](C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000339682421 419703333 /nfs/dbraw/zinc/70/33/33/419703333.db2.gz IKQIZGPCYRDRJR-SECBINFHSA-N 1 0 296.331 0.124 20 5 CBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000358803702 419921184 /nfs/dbraw/zinc/92/11/84/419921184.db2.gz SUQBVWKZFYILGX-GHMZBOCLSA-N 1 0 295.295 -0.058 20 5 CBBDRO Cc1n[nH]c(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000359416993 419964271 /nfs/dbraw/zinc/96/42/71/419964271.db2.gz QXMHYJNZJGKUEB-HTQZYQBOSA-N 1 0 265.273 -0.082 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359404067 419964713 /nfs/dbraw/zinc/96/47/13/419964713.db2.gz IWZDZCZCNZPGGN-UWVGGRQHSA-N 1 0 279.300 -0.222 20 5 CBBDRO CN1C[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000365820891 420068294 /nfs/dbraw/zinc/06/82/94/420068294.db2.gz OPOCRYFRLDBFBG-LLVKDONJSA-N 1 0 294.315 -0.157 20 5 CBBDRO Nc1nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571470 420028745 /nfs/dbraw/zinc/02/87/45/420028745.db2.gz NXJCXCVIQKJLHY-BDAKNGLRSA-N 1 0 294.315 -0.336 20 5 CBBDRO Nc1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571472 420029930 /nfs/dbraw/zinc/02/99/30/420029930.db2.gz NXJCXCVIQKJLHY-IUCAKERBSA-N 1 0 294.315 -0.336 20 5 CBBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364934173 420050993 /nfs/dbraw/zinc/05/09/93/420050993.db2.gz JTMDTBDFLXIOIN-GMTAPVOTSA-N 1 0 271.317 -0.433 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000368010894 420121436 /nfs/dbraw/zinc/12/14/36/420121436.db2.gz VCHPBAUTGHPPSR-AXFHLTTASA-N 1 0 268.317 -0.842 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000368329345 420129082 /nfs/dbraw/zinc/12/90/82/420129082.db2.gz SJXBLWNFXBCRLH-GFCCVEGCSA-N 1 0 281.316 -0.192 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368377665 420130465 /nfs/dbraw/zinc/13/04/65/420130465.db2.gz NIBDVCQNLWDGGT-DTWKUNHWSA-N 1 0 265.273 -0.388 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366599685 420088817 /nfs/dbraw/zinc/08/88/17/420088817.db2.gz OFEZKWGBFROZDT-MBTKJCJQSA-N 1 0 251.246 -0.875 20 5 CBBDRO Cc1nn(C)c(NC[C@@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000394759849 420211625 /nfs/dbraw/zinc/21/16/25/420211625.db2.gz DIKYGYBWCGYWBV-VIFPVBQESA-N 1 0 268.321 -0.048 20 5 CBBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000193661117 287618761 /nfs/dbraw/zinc/61/87/61/287618761.db2.gz FISIAIIDJGUWSL-SKDRFNHKSA-N 1 0 294.311 -0.129 20 5 CBBDRO Nc1nc(NC[C@@H]2CCC[N@@H+]2CCCO)ncc1[N+](=O)[O-] ZINC000450600280 420299025 /nfs/dbraw/zinc/29/90/25/420299025.db2.gz VGTOFNJDQSSTFA-VIFPVBQESA-N 1 0 296.331 -0.352 20 5 CBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCN2C1=O ZINC000519613840 420384651 /nfs/dbraw/zinc/38/46/51/420384651.db2.gz LJSRUQLAUWBCJW-HTQZYQBOSA-N 1 0 293.283 -0.693 20 5 CBBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000519707271 420385154 /nfs/dbraw/zinc/38/51/54/420385154.db2.gz CJYYYHGSOHBVAH-SECBINFHSA-N 1 0 296.283 -0.196 20 5 CBBDRO O=C1NC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]12 ZINC000377683065 230296097 /nfs/dbraw/zinc/29/60/97/230296097.db2.gz ZBURGBPWQXCGFE-ZJUUUORDSA-N 1 0 279.300 -0.141 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000590434144 420478414 /nfs/dbraw/zinc/47/84/14/420478414.db2.gz YAXCZYMJPLMYEZ-UHFFFAOYSA-N 1 0 297.315 -0.120 20 5 CBBDRO CC(C)(CO)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000609839741 420494440 /nfs/dbraw/zinc/49/44/40/420494440.db2.gz JVTRNOFQRNSZFK-UHFFFAOYSA-N 1 0 296.331 -0.140 20 5 CBBDRO [NH3+]C1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000521039668 260027336 /nfs/dbraw/zinc/02/73/36/260027336.db2.gz JWFDQWLMTRCNAJ-UHFFFAOYSA-N 1 0 253.262 -0.211 20 5 CBBDRO Cc1ccc(NC(=O)C(=O)NC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000517223665 260106545 /nfs/dbraw/zinc/10/65/45/260106545.db2.gz AAIOMWNTROQOOZ-UHFFFAOYSA-N 1 0 278.268 -0.070 20 5 CBBDRO Cn1c(C(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000394067536 260241076 /nfs/dbraw/zinc/24/10/76/260241076.db2.gz JPZHSPONKFTMAS-VIFPVBQESA-N 1 0 281.316 -0.433 20 5 CBBDRO CN1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000519596165 265486644 /nfs/dbraw/zinc/48/66/44/265486644.db2.gz KIBXWNZSBZUUKB-WDEREUQCSA-N 1 0 297.315 -0.637 20 5 CBBDRO O=C(NCCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000519647144 265526551 /nfs/dbraw/zinc/52/65/51/265526551.db2.gz RPLOHWMTXLMWJA-UHFFFAOYSA-N 1 0 282.304 -0.657 20 5 CBBDRO C[NH2+]C[C@H](C)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237130666 269580077 /nfs/dbraw/zinc/58/00/77/269580077.db2.gz KAEWILUCKGKMQJ-QMMMGPOBSA-N 1 0 255.278 -0.237 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359310414 279384744 /nfs/dbraw/zinc/38/47/44/279384744.db2.gz SBBYTNHPRQIGPH-IUCAKERBSA-N 1 0 251.290 -0.021 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000563087522 327914143 /nfs/dbraw/zinc/91/41/43/327914143.db2.gz UGWMQIVKCUAHBO-SECBINFHSA-N 1 0 294.315 -0.562 20 5 CBBDRO C[NH2+]C[C@H](O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584172815 327057424 /nfs/dbraw/zinc/05/74/24/327057424.db2.gz GZBLCZJEXNWCDC-QWRGUYRKSA-N 1 0 299.327 -0.496 20 5 CBBDRO C[NH2+]C[C@H](O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584172816 327057437 /nfs/dbraw/zinc/05/74/37/327057437.db2.gz GZBLCZJEXNWCDC-WDEREUQCSA-N 1 0 299.327 -0.496 20 5 CBBDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570155592 327572310 /nfs/dbraw/zinc/57/23/10/327572310.db2.gz NUJXGPKCNNQGCL-OUAUKWLOSA-N 1 0 286.288 -0.844 20 5 CBBDRO CCN1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000391568004 328978778 /nfs/dbraw/zinc/97/87/78/328978778.db2.gz BYGOBVWWGMJEMN-ONGXEEELSA-N 1 0 297.315 -0.637 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252410402 334379150 /nfs/dbraw/zinc/37/91/50/334379150.db2.gz LLBFREDKXCDSKD-MBTKJCJQSA-N 1 0 250.258 -0.119 20 5 CBBDRO [NH3+][C@H]1C[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000567909562 334774686 /nfs/dbraw/zinc/77/46/86/334774686.db2.gz GVSCTPUECKWECI-OCAPTIKFSA-N 1 0 253.262 -0.355 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1O ZINC000576361906 335194849 /nfs/dbraw/zinc/19/48/49/335194849.db2.gz YOIODKQRVJMVKZ-UWVGGRQHSA-N 1 0 295.299 -0.681 20 5 CBBDRO O=C(C[NH2+]C[C@H]1CCCO1)NCCn1cc([N+](=O)[O-])cn1 ZINC000576936654 335266137 /nfs/dbraw/zinc/26/61/37/335266137.db2.gz DDFDNZBCZVTUBK-LLVKDONJSA-N 1 0 297.315 -0.324 20 5 CBBDRO C[NH2+]CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576989946 335274721 /nfs/dbraw/zinc/27/47/21/335274721.db2.gz LRMTVZQRWPJQCL-UHFFFAOYSA-N 1 0 260.275 -0.513 20 5 CBBDRO CC[NH2+]CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000577395668 335347879 /nfs/dbraw/zinc/34/78/79/335347879.db2.gz KZRYRJQMDWDJOH-UHFFFAOYSA-N 1 0 255.278 -0.093 20 5 CBBDRO CN(C[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000577503495 335361061 /nfs/dbraw/zinc/36/10/61/335361061.db2.gz QXPQQTYGZHMOQT-LBPRGKRZSA-N 1 0 283.332 -0.164 20 5 CBBDRO COCC[N@H+](C)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000385886665 336159479 /nfs/dbraw/zinc/15/94/79/336159479.db2.gz CQAROWDRSNTAAA-SECBINFHSA-N 1 0 258.278 -0.270 20 5 CBBDRO Cc1nccn1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000386388678 336172202 /nfs/dbraw/zinc/17/22/02/336172202.db2.gz SYHXQEOTHJRMSB-LBPRGKRZSA-N 1 0 294.315 -0.053 20 5 CBBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)O ZINC000386757087 336177904 /nfs/dbraw/zinc/17/79/04/336177904.db2.gz HRTVMCKIUMLTGI-GDPRMGEGSA-N 1 0 272.305 -0.099 20 5 CBBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC1C[NH2+]C1 ZINC000123482689 582119345 /nfs/dbraw/zinc/11/93/45/582119345.db2.gz WTBSWNTVKZLUFT-UHFFFAOYSA-N 1 0 275.261 -0.016 20 5 CBBDRO C[C@@](O)(CO)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758047 582125187 /nfs/dbraw/zinc/12/51/87/582125187.db2.gz JPBODPDVMUNRBI-RYUDHWBXSA-N 1 0 270.285 -0.039 20 5 CBBDRO NC(=O)C1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000746472902 582284810 /nfs/dbraw/zinc/28/48/10/582284810.db2.gz REGTZGHGEUBILT-JTQLQIEISA-N 1 0 297.315 -0.460 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787269344 582381022 /nfs/dbraw/zinc/38/10/22/582381022.db2.gz DDKPINPMXOSMAC-ZDUSSCGKSA-N 1 0 294.311 -0.027 20 5 CBBDRO O=C1C[C@@]2(CCN(Cn3cc([N+](=O)[O-])cn3)C2)CN1 ZINC000788384525 582385848 /nfs/dbraw/zinc/38/58/48/582385848.db2.gz SYSPIUNZQORLPQ-NSHDSACASA-N 1 0 265.273 -0.039 20 5 CBBDRO NC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473219 582386204 /nfs/dbraw/zinc/38/62/04/582386204.db2.gz IDTPJSZXMPDCNK-YPMHNXCESA-N 1 0 295.295 -0.450 20 5 CBBDRO O=[N+]([O-])c1cnn(CCc2nc(N3CC[NH2+]CC3)no2)c1 ZINC000823335092 582666899 /nfs/dbraw/zinc/66/68/99/582666899.db2.gz QRBFYJKNHILQTP-UHFFFAOYSA-N 1 0 293.287 -0.173 20 5 CBBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000827335848 582811901 /nfs/dbraw/zinc/81/19/01/582811901.db2.gz AIOHPNCDYFGRFH-UWVGGRQHSA-N 1 0 294.315 -0.261 20 5 CBBDRO CN1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000827435647 582816525 /nfs/dbraw/zinc/81/65/25/582816525.db2.gz QSNTWZOABZPIRF-CHWSQXEVSA-N 1 0 296.371 -0.110 20 5 CBBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839772266 583159650 /nfs/dbraw/zinc/15/96/50/583159650.db2.gz AZKXOHCCSGVCLH-VXGBXAGGSA-N 1 0 286.376 -0.007 20 5 CBBDRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843062552 583199154 /nfs/dbraw/zinc/19/91/54/583199154.db2.gz PSICPGRAZMAHIK-GGZOMVNGSA-N 1 0 270.285 -0.041 20 5 CBBDRO C[NH2+]C[C@H](O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843078595 583200263 /nfs/dbraw/zinc/20/02/63/583200263.db2.gz QUMMENGPWZDQSM-NWDGAFQWSA-N 1 0 269.301 -0.202 20 5 CBBDRO COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843089055 583201205 /nfs/dbraw/zinc/20/12/05/583201205.db2.gz QOKPGNXMWDEXKA-MNOVXSKESA-N 1 0 284.268 -0.248 20 5 CBBDRO CNC(=O)[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843109837 583201950 /nfs/dbraw/zinc/20/19/50/583201950.db2.gz HFVUUXZECYCNJO-GHMZBOCLSA-N 1 0 283.284 -0.675 20 5 CBBDRO O=C(CO[C@H]1CCC[NH2+]C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000843495348 583229180 /nfs/dbraw/zinc/22/91/80/583229180.db2.gz PMBMTZNQWVSMRI-NSHDSACASA-N 1 0 297.315 -0.324 20 5 CBBDRO Nc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000853244154 583580686 /nfs/dbraw/zinc/58/06/86/583580686.db2.gz FMUZTBZOIQLHAN-UHFFFAOYSA-N 1 0 292.295 -0.009 20 5 CBBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000869776529 584003544 /nfs/dbraw/zinc/00/35/44/584003544.db2.gz LTZKPMAZBHFNKD-IVZWLZJFSA-N 1 0 271.317 -0.387 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750678 584535471 /nfs/dbraw/zinc/53/54/71/584535471.db2.gz QFKCHYBJFAZLGE-DDHJBXDOSA-N 1 0 283.328 -0.291 20 5 CBBDRO C[N@H+](CCO)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000899738569 584778719 /nfs/dbraw/zinc/77/87/19/584778719.db2.gz HBLGTCMRFKWWSE-UHFFFAOYSA-N 1 0 261.322 -0.138 20 5 CBBDRO COC[C@@H]1C[NH2+]CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000903882159 584903894 /nfs/dbraw/zinc/90/38/94/584903894.db2.gz XIJHGYWEVXZHJU-NSHDSACASA-N 1 0 269.305 -0.289 20 5 CBBDRO C[C@@H]1[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000719597391 656235889 /nfs/dbraw/zinc/23/58/89/656235889.db2.gz HBTKEEXTSBRMNN-ADEWGFFLSA-N 1 0 283.332 -0.166 20 5 CBBDRO O=C(NCC1=CC[N@H+](CCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673609 656757740 /nfs/dbraw/zinc/75/77/40/656757740.db2.gz HMKZZXFTFMDEQW-GHMZBOCLSA-N 1 0 269.301 -0.608 20 5 CBBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCCO)CC1 ZINC001005380066 656899746 /nfs/dbraw/zinc/89/97/46/656899746.db2.gz BDVOEFOVPFJDKF-VXGBXAGGSA-N 1 0 285.344 -0.043 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC12CC[NH+](CC1)C2 ZINC000913626902 657563918 /nfs/dbraw/zinc/56/39/18/657563918.db2.gz MCAFCRAUCNFSCJ-UHFFFAOYSA-N 1 0 265.273 -0.244 20 5 CBBDRO CC1(C)C[NH2+]CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923291840 658195354 /nfs/dbraw/zinc/19/53/54/658195354.db2.gz GTPKLVDVYUVUHN-LLVKDONJSA-N 1 0 283.332 -0.164 20 5 CBBDRO C[NH2+]C[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923295024 658195372 /nfs/dbraw/zinc/19/53/72/658195372.db2.gz QNDKWIONQJAMNW-JQWIXIFHSA-N 1 0 283.332 -0.164 20 5 CBBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000923298108 658199893 /nfs/dbraw/zinc/19/98/93/658199893.db2.gz LYCMNDVLACXNCX-VHSXEESVSA-N 1 0 294.315 -0.119 20 5 CBBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923344755 658221973 /nfs/dbraw/zinc/22/19/73/658221973.db2.gz IIYNARTXNAMHSO-HOSYDEDBSA-N 1 0 283.332 -0.166 20 5 CBBDRO C[C@@H]1[NH2+]CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000923344758 658222309 /nfs/dbraw/zinc/22/23/09/658222309.db2.gz IIYNARTXNAMHSO-JBLDHEPKSA-N 1 0 283.332 -0.166 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000923360882 658229856 /nfs/dbraw/zinc/22/98/56/658229856.db2.gz BMUZJTVFHBEEEO-CYZMBNFOSA-N 1 0 295.343 -0.164 20 5 CBBDRO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C[NH2+]1 ZINC000923362401 658235568 /nfs/dbraw/zinc/23/55/68/658235568.db2.gz SMOJBSPALHTUBF-CKYFFXLPSA-N 1 0 283.332 -0.166 20 5 CBBDRO NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000963791815 658867689 /nfs/dbraw/zinc/86/76/89/658867689.db2.gz QUBNYNKGIYQYAC-WILAIQFWSA-N 1 0 296.327 -0.846 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCCO)CC1 ZINC000981138123 659309705 /nfs/dbraw/zinc/30/97/05/659309705.db2.gz LCNSPPVERUNYIM-GHMZBOCLSA-N 1 0 271.317 -0.432 20 5 CBBDRO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063670 790986521 /nfs/dbraw/zinc/98/65/21/790986521.db2.gz GGEPSVBMMQYKOR-UTINFBMNSA-N 1 0 294.315 -0.783 20 5 CBBDRO Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022063577 790987468 /nfs/dbraw/zinc/98/74/68/790987468.db2.gz DRVKBLDHJLXFBM-WRWGMCAJSA-N 1 0 293.327 -0.178 20 5 CBBDRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022633549 791033164 /nfs/dbraw/zinc/03/31/64/791033164.db2.gz KRFZUCNENFRJQP-OCAPTIKFSA-N 1 0 298.324 -0.122 20 5 CBBDRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022633550 791034348 /nfs/dbraw/zinc/03/43/48/791034348.db2.gz KSKRGRJPHWYGHG-AOOOYVTPSA-N 1 0 292.295 -0.183 20 5 CBBDRO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775317 798974828 /nfs/dbraw/zinc/97/48/28/798974828.db2.gz OSWCFDBAWWXFDQ-NZFPMDFQSA-N 1 0 269.301 -0.656 20 5 CBBDRO C[C@H]([NH3+])CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118043549 812465364 /nfs/dbraw/zinc/46/53/64/812465364.db2.gz PCTFTUAJEHKTRC-QMMMGPOBSA-N 1 0 292.295 -0.100 20 5 CBBDRO NC(=O)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323419340 804025913 /nfs/dbraw/zinc/02/59/13/804025913.db2.gz PELVHHJSYUFTEA-GXSJLCMTSA-N 1 0 297.315 -0.651 20 5 CBBDRO NC(=O)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001323484497 804032893 /nfs/dbraw/zinc/03/28/93/804032893.db2.gz WVVKSTYULYNABC-SECBINFHSA-N 1 0 267.289 -0.011 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N(C1CC1)C1CC[NH2+]CC1 ZINC001325856420 804325465 /nfs/dbraw/zinc/32/54/65/804325465.db2.gz ZRVNQHPNJDJQIF-UHFFFAOYSA-N 1 0 294.315 -0.071 20 5 CBBDRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001153332893 815158405 /nfs/dbraw/zinc/15/84/05/815158405.db2.gz JGYNZDLGQFTUFG-NXEZZACHSA-N 1 0 271.317 -0.385 20 5 CBBDRO Cc1nc(N(CC[NH3+])S(C)(=O)=O)ncc1[N+](=O)[O-] ZINC001154770561 815239640 /nfs/dbraw/zinc/23/96/40/815239640.db2.gz CUTYSTOVHVNKBB-UHFFFAOYSA-N 1 0 275.290 -0.582 20 5 CBBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC([NH2+]C2CCOCC2)C1 ZINC001155332694 815276868 /nfs/dbraw/zinc/27/68/68/815276868.db2.gz YHHXUFUQMNTDQL-UHFFFAOYSA-N 1 0 295.299 -0.089 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cccc([N+](=O)[O-])n2)N1 ZINC001155571532 815295502 /nfs/dbraw/zinc/29/55/02/815295502.db2.gz SRFFHYNOJVKQJB-RDDDGLTNSA-N 1 0 263.257 -0.020 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155573148 815295836 /nfs/dbraw/zinc/29/58/36/815295836.db2.gz YPDGXSXNIDAVCI-KCJUWKMLSA-N 1 0 278.272 -0.317 20 5 CBBDRO Nc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155574631 815296750 /nfs/dbraw/zinc/29/67/50/815296750.db2.gz IVDUAWHKXRXDBV-WRWORJQWSA-N 1 0 278.272 -0.438 20 5 CBBDRO COC(=O)c1ccnc(N(CC[NH3+])CCO)c1[N+](=O)[O-] ZINC001155952888 815324951 /nfs/dbraw/zinc/32/49/51/815324951.db2.gz OZKVPPPRQOIFTR-UHFFFAOYSA-N 1 0 284.272 -0.466 20 5 CBBDRO COC(=O)c1cnc(N(CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC001155949535 815324993 /nfs/dbraw/zinc/32/49/93/815324993.db2.gz PLTHJWSWQJFLCR-UHFFFAOYSA-N 1 0 284.272 -0.466 20 5 CBBDRO O=C1CC[C@@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)N1 ZINC001156154092 815341174 /nfs/dbraw/zinc/34/11/74/815341174.db2.gz NLPRMXFGTDCTKK-QMMMGPOBSA-N 1 0 292.299 -0.238 20 5 CBBDRO CN[C@@H]1CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156660067 815372849 /nfs/dbraw/zinc/37/28/49/815372849.db2.gz MAYGOOWIMMUAKT-VIFPVBQESA-N 1 0 264.289 -0.173 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c(C)ncc(C[NH3+])c1=N ZINC001156830649 815384155 /nfs/dbraw/zinc/38/41/55/815384155.db2.gz QVNUEBCNZXCWLL-UHFFFAOYSA-N 1 0 290.283 -0.031 20 5 CBBDRO [NH3+]CCc1nnn(-c2ncc([N+](=O)[O-])cc2F)n1 ZINC001156984476 815395060 /nfs/dbraw/zinc/39/50/60/815395060.db2.gz GPSGDMATSMRCEQ-UHFFFAOYSA-N 1 0 253.197 -0.394 20 5 CBBDRO CN(CCO)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157393363 815430809 /nfs/dbraw/zinc/43/08/09/815430809.db2.gz PPKDFIRMGPEPON-UHFFFAOYSA-N 1 0 253.262 -0.500 20 5 CBBDRO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767429 815462503 /nfs/dbraw/zinc/46/25/03/815462503.db2.gz MLNCARPPGCYWOH-NXEZZACHSA-N 1 0 286.332 -0.726 20 5 CBBDRO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761046 815463244 /nfs/dbraw/zinc/46/32/44/815463244.db2.gz LAHKHWJNJDGERY-NXEZZACHSA-N 1 0 286.332 -0.774 20 5 CBBDRO [NH3+]Cc1nnnn1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158075078 815501470 /nfs/dbraw/zinc/50/14/70/815501470.db2.gz VWTUPOVFAYKXDQ-UHFFFAOYSA-N 1 0 256.613 -0.527 20 5 CBBDRO [NH3+]Cc1nnnn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001158075010 815501367 /nfs/dbraw/zinc/50/13/67/815501367.db2.gz OXZNGMMYLFOCCP-UHFFFAOYSA-N 1 0 272.228 -0.028 20 5 CBBDRO COc1cnc(-n2nnnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001158075148 815501411 /nfs/dbraw/zinc/50/14/11/815501411.db2.gz TXVRQFJXHKRQKS-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(-n2nnnc2C[NH3+])n1 ZINC001158075076 815501946 /nfs/dbraw/zinc/50/19/46/815501946.db2.gz RQAGRQWDQLBQKT-UHFFFAOYSA-N 1 0 266.221 -0.864 20 5 CBBDRO C[NH2+][C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001118085895 812468500 /nfs/dbraw/zinc/46/85/00/812468500.db2.gz MWXYIZINSQNUMU-ZETCQYMHSA-N 1 0 254.250 -0.993 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC001118139944 812478162 /nfs/dbraw/zinc/47/81/62/812478162.db2.gz DBUAKYRRZQNGHY-APPZFPTMSA-N 1 0 297.315 -0.175 20 5 CBBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118197026 812490955 /nfs/dbraw/zinc/49/09/55/812490955.db2.gz LOUKLKQHDXRKRH-VIFPVBQESA-N 1 0 282.300 -0.144 20 5 CBBDRO C[NH2+][C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC001118203543 812495158 /nfs/dbraw/zinc/49/51/58/812495158.db2.gz SEHMEWGKDPTYCC-ZETCQYMHSA-N 1 0 253.262 -0.238 20 5 CBBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118271017 812514317 /nfs/dbraw/zinc/51/43/17/812514317.db2.gz SXNCMJCLCRUKMV-DTWKUNHWSA-N 1 0 282.300 -0.002 20 5 CBBDRO CO[C@@H]1CN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])C[C@@H]1[NH3+] ZINC001158711467 815544838 /nfs/dbraw/zinc/54/48/38/815544838.db2.gz RBDQSOULOKFWLW-WCBMZHEXSA-N 1 0 268.273 -0.301 20 5 CBBDRO Nc1cc(NC[C@H]2COCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001159043609 815556289 /nfs/dbraw/zinc/55/62/89/815556289.db2.gz FGQGARQXEGGNQC-ZETCQYMHSA-N 1 0 253.262 -0.028 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H]2COCC[NH2+]2)c1 ZINC001159035403 815556496 /nfs/dbraw/zinc/55/64/96/815556496.db2.gz GMZYYUICWSNHDG-MRVPVSSYSA-N 1 0 254.246 -0.372 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1ncc([N+](=O)[O-])c(OC)n1 ZINC001159861790 815601747 /nfs/dbraw/zinc/60/17/47/815601747.db2.gz ZNIOHFHKKUROLB-UHFFFAOYSA-N 1 0 299.287 -0.278 20 5 CBBDRO NC(=O)NCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123234760 813224102 /nfs/dbraw/zinc/22/41/02/813224102.db2.gz AIDGMAHETFXTSL-UHFFFAOYSA-N 1 0 295.299 -0.531 20 5 CBBDRO O=C(NCC[NH2+]Cc1ccccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932370 813695435 /nfs/dbraw/zinc/69/54/35/813695435.db2.gz UWLJQNKCYZOSLN-GHMZBOCLSA-N 1 0 264.285 -0.047 20 5 CBBDRO Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001126936439 813697219 /nfs/dbraw/zinc/69/72/19/813697219.db2.gz HXGYJVQNZWNJSA-NXEZZACHSA-N 1 0 268.273 -0.146 20 5 CBBDRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936269 813697395 /nfs/dbraw/zinc/69/73/95/813697395.db2.gz DNGVQVVOYZOTRP-NXEZZACHSA-N 1 0 286.332 -0.726 20 5 CBBDRO O=C(NCC[NH2+]CC1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938906 813697819 /nfs/dbraw/zinc/69/78/19/813697819.db2.gz MJYRBFXHJZROPG-GHMZBOCLSA-N 1 0 271.317 -0.216 20 5 CBBDRO O=C(NCC[NH2+]CCCN1CCCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126949776 813699286 /nfs/dbraw/zinc/69/92/86/813699286.db2.gz ZIAHVQYYTTUQAJ-GHMZBOCLSA-N 1 0 298.343 -0.630 20 5 CBBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001159671058 815583847 /nfs/dbraw/zinc/58/38/47/815583847.db2.gz HZOFXOPFAMZJDF-HTRCEHHLSA-N 1 0 283.244 -0.110 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001159672767 815585004 /nfs/dbraw/zinc/58/50/04/815585004.db2.gz SKRIBSBCUXZYIN-APPZFPTMSA-N 1 0 254.246 -0.780 20 5 CBBDRO COc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)nc(OC)c1[N+](=O)[O-] ZINC001159676111 815585852 /nfs/dbraw/zinc/58/58/52/815585852.db2.gz FLLVEKYEXZOFEG-NKWVEPMBSA-N 1 0 299.287 -0.606 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)n1 ZINC001159676416 815586100 /nfs/dbraw/zinc/58/61/00/815586100.db2.gz GZUCPBDMSMQNRI-JGVFFNPUSA-N 1 0 253.262 -0.315 20 5 CBBDRO COc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001159673813 815586116 /nfs/dbraw/zinc/58/61/16/815586116.db2.gz ZLKUIEQFYKWDQL-SFYZADRCSA-N 1 0 268.273 -0.009 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159678988 815587039 /nfs/dbraw/zinc/58/70/39/815587039.db2.gz ANMUSUQFGATETO-RCOVLWMOSA-N 1 0 253.262 -0.436 20 5 CBBDRO Nc1cc(N[C@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159679972 815587797 /nfs/dbraw/zinc/58/77/97/815587797.db2.gz WURFWLZLMHTHFD-SVRRBLITSA-N 1 0 253.262 -0.436 20 5 CBBDRO Cc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159681419 815588074 /nfs/dbraw/zinc/58/80/74/815588074.db2.gz DAMCCDVQVRKULP-JGVFFNPUSA-N 1 0 253.262 -0.315 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cc(C[NH3+])cnc2=N)n1 ZINC001161415208 815752470 /nfs/dbraw/zinc/75/24/70/815752470.db2.gz DJKZQUURKVEBJT-UHFFFAOYSA-N 1 0 291.271 -0.174 20 5 CBBDRO NC(=O)c1nc(-n2nccc2C[NH3+])ccc1[N+](=O)[O-] ZINC001162586495 815835974 /nfs/dbraw/zinc/83/59/74/815835974.db2.gz WSGBWGMWDKGURE-UHFFFAOYSA-N 1 0 262.229 -0.267 20 5 CBBDRO Cc1c[n+]([O-])c(N[C@@H]2COC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC001162917004 815847972 /nfs/dbraw/zinc/84/79/72/815847972.db2.gz IAUWVIIBLAIOBO-JGVFFNPUSA-N 1 0 254.246 -0.325 20 5 CBBDRO [NH3+][C@H]1COC[C@H]1Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162917860 815848640 /nfs/dbraw/zinc/84/86/40/815848640.db2.gz WECPEQDVFLFMLH-NTSWFWBYSA-N 1 0 258.209 -0.495 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2[NH3+])n1 ZINC001162917217 815849216 /nfs/dbraw/zinc/84/92/16/815849216.db2.gz LERSFVOGMJNVED-NTSWFWBYSA-N 1 0 255.234 -0.469 20 5 CBBDRO COC(=O)[C@@H](Nc1c[n+]([O-])ccc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162947324 815850355 /nfs/dbraw/zinc/85/03/55/815850355.db2.gz BEFFRAYLSATOPS-SECBINFHSA-N 1 0 284.272 -0.081 20 5 CBBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cn1 ZINC001163146531 815861718 /nfs/dbraw/zinc/86/17/18/815861718.db2.gz QYTAFDOIKDXJBK-BWZBUEFSSA-N 1 0 251.246 -0.217 20 5 CBBDRO Cn1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cc([N+](=O)[O-])c1=O ZINC001163153964 815862792 /nfs/dbraw/zinc/86/27/92/815862792.db2.gz PNTKHNBJBUYTKK-ZANVPECISA-N 1 0 294.311 -0.059 20 5 CBBDRO NC(=O)c1ccnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1[N+](=O)[O-] ZINC001163196713 815865631 /nfs/dbraw/zinc/86/56/31/815865631.db2.gz GXNIUJJSQQYTIV-JMCQJSRRSA-N 1 0 293.283 -0.369 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])N1 ZINC001163236341 815867996 /nfs/dbraw/zinc/86/79/96/815867996.db2.gz HSYDONBMCHVBDU-CPCISQLKSA-N 1 0 297.246 -0.643 20 5 CBBDRO COc1ccnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163240813 815871579 /nfs/dbraw/zinc/87/15/79/815871579.db2.gz WOOJFRJLCVPAIR-UFBFGSQYSA-N 1 0 293.283 -0.012 20 5 CBBDRO Nc1ccnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163243269 815872062 /nfs/dbraw/zinc/87/20/62/815872062.db2.gz SBJWQPFSIQTYBT-WRWORJQWSA-N 1 0 278.272 -0.438 20 5 CBBDRO O=C1OC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC001307976522 816816741 /nfs/dbraw/zinc/81/67/41/816816741.db2.gz DVCNJXCNFWGRHL-LSJOCFKGSA-N 1 0 296.283 -0.743 20 5 CBBDRO CCCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317584425 817022733 /nfs/dbraw/zinc/02/27/33/817022733.db2.gz BMZXYXCYFSZNBY-NXEZZACHSA-N 1 0 286.332 -0.774 20 5 CBBDRO C[NH+]1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001319295188 817187265 /nfs/dbraw/zinc/18/72/65/817187265.db2.gz CLCGTUUCQFWAHD-UHFFFAOYSA-N 1 0 268.277 -0.603 20 5 CBBDRO C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001320009177 817267484 /nfs/dbraw/zinc/26/74/84/817267484.db2.gz HEECYEVVTDFMRP-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO CC(C)(O)C1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001320493426 817345769 /nfs/dbraw/zinc/34/57/69/817345769.db2.gz BMXXZUBJIPMPHS-NSHDSACASA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001321104433 817442026 /nfs/dbraw/zinc/44/20/26/817442026.db2.gz FCXOCQCHKZFUEG-SECBINFHSA-N 1 0 296.331 -0.316 20 5 CBBDRO [NH3+]CCN(CCO)c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001163837170 819860534 /nfs/dbraw/zinc/86/05/34/819860534.db2.gz UEFWCHFTJXCRTQ-UHFFFAOYSA-N 1 0 265.273 0.000 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(N2CC([NH2+][C@@H]3CCOC3)C2)n1 ZINC001164233839 819893974 /nfs/dbraw/zinc/89/39/74/819893974.db2.gz CGIGGBLETOVEFI-MRVPVSSYSA-N 1 0 267.289 -0.105 20 5 CBBDRO CN(c1ncnc(Cl)c1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164287305 819899072 /nfs/dbraw/zinc/89/90/72/819899072.db2.gz FJVGEQYHNNCSSW-UHFFFAOYSA-N 1 0 295.708 -0.237 20 5 CBBDRO CN(c1cc([N+](=O)[O-])c2nccn2c1)S(=O)(=O)CC[NH3+] ZINC001164296184 819904237 /nfs/dbraw/zinc/90/42/37/819904237.db2.gz BFRHVUJSEHMEHT-UHFFFAOYSA-N 1 0 299.312 -0.033 20 5 CBBDRO Nc1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)ncc1[N+](=O)[O-] ZINC001165282963 819946432 /nfs/dbraw/zinc/94/64/32/819946432.db2.gz JWBJXWPFJPXMBO-PELKAZGASA-N 1 0 279.300 -0.410 20 5 CBBDRO Nc1nc(N2CCOCC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165288914 819949148 /nfs/dbraw/zinc/94/91/48/819949148.db2.gz RFSRWYGFDGRYJE-UHFFFAOYSA-N 1 0 265.273 -0.249 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N1CCOCC12C[NH2+]C2 ZINC001165288034 819949594 /nfs/dbraw/zinc/94/95/94/819949594.db2.gz BNXNDTDXOROBJJ-UHFFFAOYSA-N 1 0 265.273 -0.249 20 5 CBBDRO COc1cc(N2CCNC(=O)C23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165298794 819952494 /nfs/dbraw/zinc/95/24/94/819952494.db2.gz WTEQNYRSCOJUER-UHFFFAOYSA-N 1 0 293.283 -0.723 20 5 CBBDRO O=C1NCCN(c2cc(Cl)ncc2[N+](=O)[O-])C12C[NH2+]C2 ZINC001165298088 819952680 /nfs/dbraw/zinc/95/26/80/819952680.db2.gz REYZJNUFOYZURH-UHFFFAOYSA-N 1 0 297.702 -0.079 20 5 CBBDRO O=C1NCCN(c2cccc([N+](=O)[O-])n2)C12C[NH2+]C2 ZINC001165298124 819953393 /nfs/dbraw/zinc/95/33/93/819953393.db2.gz SNIBCZCTUCCWLD-UHFFFAOYSA-N 1 0 263.257 -0.732 20 5 CBBDRO O=C1NCCN(c2nc(Cl)ncc2[N+](=O)[O-])C12C[NH2+]C2 ZINC001165298387 819953503 /nfs/dbraw/zinc/95/35/03/819953503.db2.gz TZOGOGMNNCIYOK-UHFFFAOYSA-N 1 0 298.690 -0.684 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001165437614 819961131 /nfs/dbraw/zinc/96/11/31/819961131.db2.gz AHCOACRXRVXREM-QMMMGPOBSA-N 1 0 281.272 -0.477 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1N ZINC001165443383 819964733 /nfs/dbraw/zinc/96/47/33/819964733.db2.gz VIUZABNCFKBJMS-SECBINFHSA-N 1 0 281.272 -0.477 20 5 CBBDRO NC(=O)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001165614086 819975868 /nfs/dbraw/zinc/97/58/68/819975868.db2.gz SUNNZYDWYOGBJH-UHFFFAOYSA-N 1 0 280.284 -0.324 20 5 CBBDRO CS(=O)(=O)N(c1cc([N+](=O)[O-])ccn1)C1C[NH2+]C1 ZINC001166967580 820054682 /nfs/dbraw/zinc/05/46/82/820054682.db2.gz PYRRDNCILOEDML-UHFFFAOYSA-N 1 0 272.286 -0.272 20 5 CBBDRO CS(=O)(=O)N(c1cccc([N+](=O)[O-])n1)C1C[NH2+]C1 ZINC001166966511 820055859 /nfs/dbraw/zinc/05/58/59/820055859.db2.gz GAECFRAYDKJDAS-UHFFFAOYSA-N 1 0 272.286 -0.272 20 5 CBBDRO COC(=O)c1cnc(N2C[C@@H](O)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001167088966 820068185 /nfs/dbraw/zinc/06/81/85/820068185.db2.gz KBCFWSHPTKATPK-IONNQARKSA-N 1 0 282.256 -0.715 20 5 CBBDRO [NH3+][C@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C[C@H]1O ZINC001167092665 820070432 /nfs/dbraw/zinc/07/04/32/820070432.db2.gz OQFFVTGJNYNSIH-IMTBSYHQSA-N 1 0 263.257 -0.021 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001167187769 820072389 /nfs/dbraw/zinc/07/23/89/820072389.db2.gz JYYLDJQWFRCHRU-DHHPTOIESA-N 1 0 294.311 -0.053 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001167186602 820073314 /nfs/dbraw/zinc/07/33/14/820073314.db2.gz LWVWPTPUFGCTAR-OQJHAAMPSA-N 1 0 279.300 -0.018 20 5 CBBDRO COc1ncnc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c1[N+](=O)[O-] ZINC001167187772 820073501 /nfs/dbraw/zinc/07/35/01/820073501.db2.gz KEUFICGBDYPCCW-JVHMLUBASA-N 1 0 295.299 -0.197 20 5 CBBDRO Cc1c[n+]([O-])c(-n2c(C)ncc(C[NH3+])c2=N)cc1[N+](=O)[O-] ZINC001167672672 820110684 /nfs/dbraw/zinc/11/06/84/820110684.db2.gz SGAIPMMPGXWNBE-UHFFFAOYSA-N 1 0 290.283 -0.031 20 5 CBBDRO [NH3+]CCc1nnn(-c2ccc3nc[nH]c3c2[N+](=O)[O-])n1 ZINC001167792012 820120072 /nfs/dbraw/zinc/12/00/72/820120072.db2.gz PYRKVESTUACGKF-UHFFFAOYSA-N 1 0 274.244 -0.052 20 5 CBBDRO COC(=O)[C@@H](CCC[NH3+])Nc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001167899896 820126438 /nfs/dbraw/zinc/12/64/38/820126438.db2.gz UDASMZYQHLZHOA-MRVPVSSYSA-N 1 0 284.272 -0.079 20 5 CBBDRO CN(CC[N@H+](C)CCO)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001168350939 820158693 /nfs/dbraw/zinc/15/86/93/820158693.db2.gz YJBJMDKWANWKBV-UHFFFAOYSA-N 1 0 271.277 -0.686 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001168920053 820191574 /nfs/dbraw/zinc/19/15/74/820191574.db2.gz JWJWPMLVHHGHDT-UHFFFAOYSA-N 1 0 260.217 -0.323 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2nnnc2C[NH3+])c1 ZINC001168922814 820192669 /nfs/dbraw/zinc/19/26/69/820192669.db2.gz BDSOAKGTOMJZBR-UHFFFAOYSA-N 1 0 278.228 -0.184 20 5 CBBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCOCC1 ZINC001168966291 820197248 /nfs/dbraw/zinc/19/72/48/820197248.db2.gz HNPNBFLRJADWJX-WDEREUQCSA-N 1 0 271.317 -0.120 20 5 CBBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001168972579 820197582 /nfs/dbraw/zinc/19/75/82/820197582.db2.gz NLIUTLADEPGGNH-FAFNCHIJSA-N 1 0 274.317 -0.876 20 5 CBBDRO O=C1C[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C(=O)N1 ZINC001168987970 820200375 /nfs/dbraw/zinc/20/03/75/820200375.db2.gz LXYMRVDZMXROHC-DJLDLDEBSA-N 1 0 255.274 -0.316 20 5 CBBDRO O=C1C[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C(=O)N1 ZINC001168987972 820200436 /nfs/dbraw/zinc/20/04/36/820200436.db2.gz LXYMRVDZMXROHC-IWSPIJDZSA-N 1 0 255.274 -0.316 20 5 CBBDRO COC(=O)CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168997895 820200485 /nfs/dbraw/zinc/20/04/85/820200485.db2.gz GISPNPOPZBAJLL-AEJSXWLSSA-N 1 0 287.316 -0.172 20 5 CBBDRO NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169008010 820200903 /nfs/dbraw/zinc/20/09/03/820200903.db2.gz QOQNUVUAJJZKHK-MIMYLULJSA-N 1 0 281.316 -0.144 20 5 CBBDRO O=C1COC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035520 820201612 /nfs/dbraw/zinc/20/16/12/820201612.db2.gz BRRJJNIHAYTJDF-TUAOUCFPSA-N 1 0 283.328 -0.025 20 5 CBBDRO O=C1COC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035521 820201962 /nfs/dbraw/zinc/20/19/62/820201962.db2.gz BRRJJNIHAYTJDF-UTUOFQBUSA-N 1 0 283.328 -0.025 20 5 CBBDRO NC(=O)CN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040052 820201987 /nfs/dbraw/zinc/20/19/87/820201987.db2.gz XGMDEPUWLZVMHB-QWRGUYRKSA-N 1 0 270.333 -0.465 20 5 CBBDRO CN1CCN(C2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1=O ZINC001169036916 820202200 /nfs/dbraw/zinc/20/22/00/820202200.db2.gz QUMGFOFJHIGWBC-VXGBXAGGSA-N 1 0 296.371 -0.110 20 5 CBBDRO [NH3+]Cc1cnnn1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001169308503 820225791 /nfs/dbraw/zinc/22/57/91/820225791.db2.gz OLLPMFMHZHUAMG-UHFFFAOYSA-N 1 0 254.181 -0.593 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(-n2nncc2C[NH3+])n1 ZINC001169308457 820226045 /nfs/dbraw/zinc/22/60/45/820226045.db2.gz NIJLHYIYGSQXCM-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO Cc1c[n+]([O-])c(NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001170035787 820274551 /nfs/dbraw/zinc/27/45/51/820274551.db2.gz PKFJTLKKHKQLIX-SECBINFHSA-N 1 0 268.273 -0.063 20 5 CBBDRO O=[N+]([O-])c1c(C2C[NH2+]C2)ncnc1N1C[C@H](O)C[C@@H]1CO ZINC001170285824 820284912 /nfs/dbraw/zinc/28/49/12/820284912.db2.gz XJEMVLIWAFJADT-RKDXNWHRSA-N 1 0 295.299 -0.997 20 5 CBBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)C(N)=O)c([N+](=O)[O-])c1 ZINC001170306607 820287039 /nfs/dbraw/zinc/28/70/39/820287039.db2.gz YMYKNZNNLKLXMF-KCJUWKMLSA-N 1 0 297.311 -0.030 20 5 CBBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170567522 820307647 /nfs/dbraw/zinc/30/76/47/820307647.db2.gz DVVGLSVRCQWLSX-APPZFPTMSA-N 1 0 295.299 -0.123 20 5 CBBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170771658 820315582 /nfs/dbraw/zinc/31/55/82/820315582.db2.gz DYNBERCVORMPSB-BQBZGAKWSA-N 1 0 288.691 -0.126 20 5 CBBDRO NC(=O)c1nc(N[C@@H]2C[NH2+]C[C@H]2CO)ccc1[N+](=O)[O-] ZINC001170773588 820315925 /nfs/dbraw/zinc/31/59/25/820315925.db2.gz PCZMWECLVBWRCH-NKWVEPMBSA-N 1 0 281.272 -0.919 20 5 CBBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@H]3C[NH2+]C[C@H]3CO)c12 ZINC001170774179 820317795 /nfs/dbraw/zinc/31/77/95/820317795.db2.gz LTHNKSZDPWKQRD-BQBZGAKWSA-N 1 0 278.272 -0.142 20 5 CBBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@@H]3C[NH2+]C[C@@H]3CO)c12 ZINC001170774181 820318332 /nfs/dbraw/zinc/31/83/32/820318332.db2.gz LTHNKSZDPWKQRD-RNFRBKRXSA-N 1 0 278.272 -0.142 20 5 CBBDRO COc1cnc(N[C@H]2C[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001170779291 820320938 /nfs/dbraw/zinc/32/09/38/820320938.db2.gz XIUWVBOJXJDQQJ-YUMQZZPRSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1cc(N[C@@H]2C[NH2+]C[C@H]2CO)cnc1[N+](=O)[O-] ZINC001170778788 820321493 /nfs/dbraw/zinc/32/14/93/820321493.db2.gz AUWHIXWQWBCWDS-IONNQARKSA-N 1 0 268.273 -0.009 20 5 CBBDRO Cc1c[n+]([O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001170780075 820321691 /nfs/dbraw/zinc/32/16/91/820321691.db2.gz ZRHWWMKQYHRIGS-BDAKNGLRSA-N 1 0 268.273 -0.471 20 5 CBBDRO COC[C@@](C)(CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001196868818 824170617 /nfs/dbraw/zinc/17/06/17/824170617.db2.gz DCAGBRDHOSMACZ-SNVBAGLBSA-N 1 0 258.278 -0.222 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC001197154035 824179077 /nfs/dbraw/zinc/17/90/77/824179077.db2.gz DMZNQHQHBGYGEY-AOOOYVTPSA-N 1 0 270.289 -0.676 20 5 CBBDRO CCOC(=O)[C@H](C)OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001204259362 824366743 /nfs/dbraw/zinc/36/67/43/824366743.db2.gz JRCOINVWLLKZOE-VHSXEESVSA-N 1 0 262.326 -0.062 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ncccn1 ZINC001222256039 825207399 /nfs/dbraw/zinc/20/73/99/825207399.db2.gz GARFYRNQBRPGGV-SNVBAGLBSA-N 1 0 254.310 -0.023 20 5 CBBDRO COC[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)C(=O)OC ZINC001222339778 825209226 /nfs/dbraw/zinc/20/92/26/825209226.db2.gz CKBVDANLELNMAN-NXEZZACHSA-N 1 0 278.325 -0.825 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC[C@H]1CCC(=O)N1 ZINC001222580164 825216943 /nfs/dbraw/zinc/21/69/43/825216943.db2.gz IXYMKMUABZBMMO-NXEZZACHSA-O 1 0 259.326 -0.735 20 5 CBBDRO COCCOCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224517418 825240645 /nfs/dbraw/zinc/24/06/45/825240645.db2.gz BPEQKPUBHNLYHC-LLVKDONJSA-N 1 0 264.342 -0.350 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2[nH]cnc21 ZINC001227531819 825304546 /nfs/dbraw/zinc/30/45/46/825304546.db2.gz MWVHTCGUGAIEAL-MRVPVSSYSA-N 1 0 280.308 -0.285 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)ccc1C(N)=O ZINC001228163041 825313713 /nfs/dbraw/zinc/31/37/13/825313713.db2.gz NZUKLIIIQKOXIT-SNVBAGLBSA-O 1 0 297.331 -0.146 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc[n+]([O-])c1 ZINC001229318397 825329391 /nfs/dbraw/zinc/32/93/91/825329391.db2.gz BMFVNSCCIYKCPF-SNVBAGLBSA-N 1 0 255.294 -0.317 20 5 CBBDRO C[C@H](C[N+](C)(C)C)Oc1c(C(N)=O)nc[nH]c1=O ZINC001234472812 825468731 /nfs/dbraw/zinc/46/87/31/825468731.db2.gz ZPHNHCZTPSCSOU-SSDOTTSWSA-O 1 0 255.298 -0.245 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(C(N)=O)on1 ZINC001234591061 825475395 /nfs/dbraw/zinc/47/53/95/825475395.db2.gz QDUUMRWLLUIAOP-SSDOTTSWSA-O 1 0 272.281 -0.864 20 5 CBBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(CO)(CO)CO ZINC001254538186 825965111 /nfs/dbraw/zinc/96/51/11/825965111.db2.gz QWSBHFIGDJBJGZ-SNVBAGLBSA-N 1 0 284.312 -0.169 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001261474420 826519793 /nfs/dbraw/zinc/51/97/93/826519793.db2.gz CWXPLMXIIUPMFW-QMMMGPOBSA-N 1 0 283.288 -0.184 20 5 CBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC001261491752 826524471 /nfs/dbraw/zinc/52/44/71/826524471.db2.gz FEVVIBPLZKWFLD-SECBINFHSA-N 1 0 280.284 -0.375 20 5 CBBDRO CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001261558921 826540522 /nfs/dbraw/zinc/54/05/22/826540522.db2.gz UZGSKBIJHBUIAF-VIFPVBQESA-N 1 0 298.299 -0.832 20 5 CBBDRO CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001261558920 826540779 /nfs/dbraw/zinc/54/07/79/826540779.db2.gz UZGSKBIJHBUIAF-SECBINFHSA-N 1 0 298.299 -0.832 20 5 CBBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001261818838 826586862 /nfs/dbraw/zinc/58/68/62/826586862.db2.gz JDFYHPIHNGKGGK-DTWKUNHWSA-N 1 0 295.299 -0.401 20 5 CBBDRO CO[C@]1(C[NH2+]CC[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001262492055 826696088 /nfs/dbraw/zinc/69/60/88/826696088.db2.gz XPALHSCVPQZODB-QMMMGPOBSA-N 1 0 252.292 -0.944 20 5 CBBDRO CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371567 827160120 /nfs/dbraw/zinc/16/01/20/827160120.db2.gz MMPAANLJMFIPBD-GHMZBOCLSA-N 1 0 298.343 -0.678 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC001346492919 890308616 /nfs/dbraw/zinc/30/86/16/890308616.db2.gz OGLAZUDUTPPVDR-YFKPBYRVSA-N 1 0 281.194 -0.052 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCO1 ZINC001326086806 884899814 /nfs/dbraw/zinc/89/98/14/884899814.db2.gz FYGXZEATTGMKTO-IONNQARKSA-N 1 0 283.288 -0.484 20 5 CBBDRO Cc1nn(C)c(C(=O)NC[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001326450090 885029594 /nfs/dbraw/zinc/02/95/94/885029594.db2.gz DETXZKFXGDPHJI-MRVPVSSYSA-N 1 0 283.288 -0.645 20 5 CBBDRO CNC(=O)[C@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326503824 885050053 /nfs/dbraw/zinc/05/00/53/885050053.db2.gz WDZAYSNVSMJLRD-QWRGUYRKSA-N 1 0 283.284 -0.675 20 5 CBBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001326584298 885072770 /nfs/dbraw/zinc/07/27/70/885072770.db2.gz VOQJFHDOAJATLD-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO [NH3+]C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F ZINC001327679589 885451970 /nfs/dbraw/zinc/45/19/70/885451970.db2.gz JAOBITDQWCATAA-SCSAIBSYSA-N 1 0 282.182 -0.808 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001328523662 885716362 /nfs/dbraw/zinc/71/63/62/885716362.db2.gz XLWDOSARCFDJHM-ULKQDVFKSA-N 1 0 294.315 -0.072 20 5 CBBDRO NC(=O)c1ccnc(N2CC[N@@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC001328719589 885789716 /nfs/dbraw/zinc/78/97/16/885789716.db2.gz WVQZFTFUESURRC-QMMMGPOBSA-N 1 0 277.284 -0.017 20 5 CBBDRO C[NH+](C)CC1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001329322388 886013094 /nfs/dbraw/zinc/01/30/94/886013094.db2.gz SZHDZBBNBOSDDU-UHFFFAOYSA-N 1 0 253.262 -0.049 20 5 CBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001329520482 886106549 /nfs/dbraw/zinc/10/65/49/886106549.db2.gz IUEMQCLUYWBEPK-IUCAKERBSA-N 1 0 298.274 -0.427 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC001331964715 887064489 /nfs/dbraw/zinc/06/44/89/887064489.db2.gz QBYQQWCEPGZMFH-UHFFFAOYSA-N 1 0 288.329 -0.042 20 5 CBBDRO C[NH2+][C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001332414173 887268688 /nfs/dbraw/zinc/26/86/88/887268688.db2.gz TYHYVZQDZGRXNZ-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015691 889366681 /nfs/dbraw/zinc/36/66/81/889366681.db2.gz FBYNRPMZSNOYTI-RKDXNWHRSA-N 1 0 295.299 -0.089 20 5 CBBDRO C[C@](C[NH3+])(NC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC001345596221 890143314 /nfs/dbraw/zinc/14/33/14/890143314.db2.gz BLINZTMQORQANS-SNVBAGLBSA-N 1 0 268.277 -0.570 20 5 CBBDRO C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC(=O)N1 ZINC001345619314 890146043 /nfs/dbraw/zinc/14/60/43/890146043.db2.gz RESADNWSJQIVBO-CMPLNLGQSA-N 1 0 297.315 -0.590 20 5 CBBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001345813792 890169637 /nfs/dbraw/zinc/16/96/37/890169637.db2.gz XUJVWBBCKCDGEF-ZETCQYMHSA-N 1 0 253.262 -0.001 20 5 CBBDRO NC(=O)c1ccnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC001347396315 890460209 /nfs/dbraw/zinc/46/02/09/890460209.db2.gz SHEQRWOIWTXDTA-OCAPTIKFSA-N 1 0 277.284 -0.256 20 5 CBBDRO O=CN1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001347758152 890508610 /nfs/dbraw/zinc/50/86/10/890508610.db2.gz ALIMCOYVRZBQSK-LBPRGKRZSA-N 1 0 297.315 -0.684 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001348510388 890637429 /nfs/dbraw/zinc/63/74/29/890637429.db2.gz HNRNNMGSADZUPM-UHFFFAOYSA-N 1 0 271.277 -0.638 20 5 CBBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1[nH]ncc1[N+](=O)[O-] ZINC001349271291 890786088 /nfs/dbraw/zinc/78/60/88/890786088.db2.gz JRJJZNDNCVQLCV-ZCFIWIBFSA-N 1 0 255.234 -0.964 20 5 CBBDRO CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001349899175 890909074 /nfs/dbraw/zinc/90/90/74/890909074.db2.gz ZFWPOKWXWIBAGF-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001353665074 891458754 /nfs/dbraw/zinc/45/87/54/891458754.db2.gz FLHWUOIDASLPAH-ZJUUUORDSA-N 1 0 279.300 -0.080 20 5 CBBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1CO ZINC001354593874 891596059 /nfs/dbraw/zinc/59/60/59/891596059.db2.gz OXPMVBKHVGEVQH-LLVKDONJSA-N 1 0 279.296 -0.070 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC001460774782 914821181 /nfs/dbraw/zinc/82/11/81/914821181.db2.gz PVEHDEWHQRQEBL-FOUMNBMASA-N 1 0 296.327 -0.145 20 5 CBBDRO C[NH+](C)CC1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001468179176 915280129 /nfs/dbraw/zinc/28/01/29/915280129.db2.gz QNWKIELVWZMQMK-UHFFFAOYSA-N 1 0 294.311 -0.224 20 5 CBBDRO NC(=O)[C@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(N)=O ZINC001473643588 915840880 /nfs/dbraw/zinc/84/08/80/915840880.db2.gz TVTQUAHWNJFQPM-UWVGGRQHSA-N 1 0 292.295 -0.387 20 5 CBBDRO CN(C)C(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479770036 916170167 /nfs/dbraw/zinc/17/01/67/916170167.db2.gz HZCKZDKVIAMTQO-NXEZZACHSA-N 1 0 286.332 -0.822 20 5 CBBDRO NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001501694148 921054564 /nfs/dbraw/zinc/05/45/64/921054564.db2.gz IWDLGXCGZWALAJ-GWOFURMSSA-N 1 0 298.343 -0.599 20 5 CBBDRO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001515554914 922239765 /nfs/dbraw/zinc/23/97/65/922239765.db2.gz OYKDTNIOGZZZEV-JZYVYDRUSA-N 1 0 265.273 -0.533 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001521976750 922393183 /nfs/dbraw/zinc/39/31/83/922393183.db2.gz WXNDRVIZEAWSKR-MRVPVSSYSA-N 1 0 280.284 -0.206 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CN(C)CCN1C ZINC001543383139 923288918 /nfs/dbraw/zinc/28/89/18/923288918.db2.gz ICIWZVWAXQPFPL-VIFPVBQESA-N 1 0 296.331 -0.696 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN(C)CCN1C ZINC001543383136 923289452 /nfs/dbraw/zinc/28/94/52/923289452.db2.gz ICIWZVWAXQPFPL-SECBINFHSA-N 1 0 296.331 -0.696 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558548367 924181696 /nfs/dbraw/zinc/18/16/96/924181696.db2.gz AZHONVQYCMAFPS-VIFPVBQESA-N 1 0 295.299 -0.619 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000124516037 187141541 /nfs/dbraw/zinc/14/15/41/187141541.db2.gz OTWLELAHFGBXLI-UHFFFAOYSA-N 1 0 278.268 -0.441 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351825062 219218507 /nfs/dbraw/zinc/21/85/07/219218507.db2.gz GEPLPEUTNHKZGH-FBIMIBRVSA-N 1 0 270.289 -0.535 20 5 CBBDRO O=C(NCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000036278222 351390535 /nfs/dbraw/zinc/39/05/35/351390535.db2.gz UIQSGHASVHTZKD-UHFFFAOYSA-N 1 0 267.289 -0.442 20 5 CBBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000046271861 351454824 /nfs/dbraw/zinc/45/48/24/351454824.db2.gz FJCWXKNYBXIPBW-MRVPVSSYSA-N 1 0 255.278 -0.142 20 5 CBBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000046271859 351455016 /nfs/dbraw/zinc/45/50/16/351455016.db2.gz FJCWXKNYBXIPBW-QMMMGPOBSA-N 1 0 255.278 -0.142 20 5 CBBDRO O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000040507800 351415717 /nfs/dbraw/zinc/41/57/17/351415717.db2.gz GDADBLHYLSWXOB-UHFFFAOYSA-N 1 0 292.295 -0.244 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCn2cccn2)c1 ZINC000049076338 351484646 /nfs/dbraw/zinc/48/46/46/351484646.db2.gz CHGCKZXXBNRQNL-LLVKDONJSA-N 1 0 280.288 -0.362 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081035498 351702989 /nfs/dbraw/zinc/70/29/89/351702989.db2.gz UDBMVQSVNDNUIZ-VXGBXAGGSA-N 1 0 283.328 -0.025 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCOC2)c1 ZINC000109546705 351798583 /nfs/dbraw/zinc/79/85/83/351798583.db2.gz LQGWBGJYDBSGSU-MWLCHTKSSA-N 1 0 270.289 -0.079 20 5 CBBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)CO)cc1 ZINC000095082615 351767626 /nfs/dbraw/zinc/76/76/26/351767626.db2.gz DOASXPUDFCLNMD-WDEREUQCSA-N 1 0 256.258 -0.429 20 5 CBBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C[NH3+])C1 ZINC000122611053 351852147 /nfs/dbraw/zinc/85/21/47/351852147.db2.gz OWSUKRLTPXJKFH-VIFPVBQESA-N 1 0 267.289 -0.362 20 5 CBBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000150755165 351931413 /nfs/dbraw/zinc/93/14/13/351931413.db2.gz OUBWGIAFGWRTPN-NWDGAFQWSA-N 1 0 294.311 -0.154 20 5 CBBDRO Cn1c(C(=O)NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000134255612 351904573 /nfs/dbraw/zinc/90/45/73/351904573.db2.gz XTAFYVFQGYBXSR-QMMMGPOBSA-N 1 0 268.273 -0.349 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC([NH+](C)C)C1 ZINC000134975079 351910280 /nfs/dbraw/zinc/91/02/80/351910280.db2.gz RGSGZVLDOHDYID-UHFFFAOYSA-N 1 0 267.289 -0.128 20 5 CBBDRO CC(C)(CO)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135091410 351911257 /nfs/dbraw/zinc/91/12/57/351911257.db2.gz VDMGLYHKYPRKMR-JTQLQIEISA-N 1 0 272.305 -0.240 20 5 CBBDRO CC[C@H](O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135043669 351911369 /nfs/dbraw/zinc/91/13/69/351911369.db2.gz ZBYFAAPDNBZTCR-WDEREUQCSA-N 1 0 272.305 -0.097 20 5 CBBDRO CN(CCC[NH3+])C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000158792992 351960578 /nfs/dbraw/zinc/96/05/78/351960578.db2.gz OPDSRIKWPYMJDS-UHFFFAOYSA-N 1 0 255.278 -0.011 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000163129289 351980581 /nfs/dbraw/zinc/98/05/81/351980581.db2.gz UNQIJNMDZUKLOD-MWLCHTKSSA-N 1 0 297.315 -0.244 20 5 CBBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000170867475 352004685 /nfs/dbraw/zinc/00/46/85/352004685.db2.gz VFTPTCDOAAVMJY-SECBINFHSA-N 1 0 267.289 -0.046 20 5 CBBDRO CC1(O)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000177333264 352072550 /nfs/dbraw/zinc/07/25/50/352072550.db2.gz RNDHWNXGSZMSRR-NSHDSACASA-N 1 0 284.316 -0.001 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000173365759 352036443 /nfs/dbraw/zinc/03/64/43/352036443.db2.gz CCJMQDKFHNTXMF-YPMHNXCESA-N 1 0 295.343 -0.068 20 5 CBBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000173343319 352036584 /nfs/dbraw/zinc/03/65/84/352036584.db2.gz KQGGEECLPNTXGR-ZJUUUORDSA-N 1 0 299.331 -0.358 20 5 CBBDRO CCCC[N@@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173537844 352038474 /nfs/dbraw/zinc/03/84/74/352038474.db2.gz XVTQNVMAPZYHRG-LLVKDONJSA-N 1 0 299.331 -0.260 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H](C)C[NH3+] ZINC000179190723 352088184 /nfs/dbraw/zinc/08/81/84/352088184.db2.gz IAQHFBYORGPFEJ-SSDOTTSWSA-N 1 0 255.278 -0.095 20 5 CBBDRO NC(=O)C1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000183845626 352110253 /nfs/dbraw/zinc/11/02/53/352110253.db2.gz VRJGEKQYLJBPHL-SECBINFHSA-N 1 0 295.295 -0.058 20 5 CBBDRO C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000190374917 352179503 /nfs/dbraw/zinc/17/95/03/352179503.db2.gz IXPSBSOCJWHIOH-ZMLRMANQSA-N 1 0 284.316 -0.145 20 5 CBBDRO CN1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000191130242 352187431 /nfs/dbraw/zinc/18/74/31/352187431.db2.gz XUAKVOASSONDGZ-UHFFFAOYSA-N 1 0 267.289 -0.045 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000227691069 352258794 /nfs/dbraw/zinc/25/87/94/352258794.db2.gz PKTZYNWMZWIIKH-MVWJERBFSA-N 1 0 284.316 -0.097 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000228753589 352265196 /nfs/dbraw/zinc/26/51/96/352265196.db2.gz HICGFYPSQHVDQW-LLVKDONJSA-N 1 0 270.289 -0.035 20 5 CBBDRO O=C(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000228812144 352265248 /nfs/dbraw/zinc/26/52/48/352265248.db2.gz NKZRDQODZJRENL-LLVKDONJSA-N 1 0 297.315 -0.636 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000228790038 352265275 /nfs/dbraw/zinc/26/52/75/352265275.db2.gz KJWFJWCMWFGLJX-LBPRGKRZSA-N 1 0 298.299 -0.262 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000228755693 352265323 /nfs/dbraw/zinc/26/53/23/352265323.db2.gz FYLYVYJHJJQSJA-LLVKDONJSA-N 1 0 285.304 -0.780 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCCCO)c1 ZINC000229127393 352266366 /nfs/dbraw/zinc/26/63/66/352266366.db2.gz GFKRVKWEXIHORN-LLVKDONJSA-N 1 0 272.305 -0.096 20 5 CBBDRO C[NH2+]CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000237375272 352303875 /nfs/dbraw/zinc/30/38/75/352303875.db2.gz MEVMLHNWAQGPCV-UHFFFAOYSA-N 1 0 255.278 -0.138 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]CC1 ZINC000237575066 352307054 /nfs/dbraw/zinc/30/70/54/352307054.db2.gz ODCOESJEWWPFSL-UHFFFAOYSA-N 1 0 253.262 -0.468 20 5 CBBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000237615788 352308007 /nfs/dbraw/zinc/30/80/07/352308007.db2.gz HJLYDTPTBZYAMO-JGVFFNPUSA-N 1 0 268.277 -0.605 20 5 CBBDRO [NH3+]C[C@@H]1CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237954567 352312012 /nfs/dbraw/zinc/31/20/12/352312012.db2.gz GGMNLKMOXPLZRK-QMMMGPOBSA-N 1 0 253.262 -0.259 20 5 CBBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238001483 352313223 /nfs/dbraw/zinc/31/32/23/352313223.db2.gz BKHUZGBWWUCNBF-KOLCDFICSA-N 1 0 294.311 -0.154 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000249602978 352369535 /nfs/dbraw/zinc/36/95/35/352369535.db2.gz YWLVQTFFFGLTPC-ADEWGFFLSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000252874697 352380945 /nfs/dbraw/zinc/38/09/45/352380945.db2.gz WEWOCMRRHJGYPW-YWVKMMECSA-N 1 0 272.305 -0.241 20 5 CBBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262110492 352407512 /nfs/dbraw/zinc/40/75/12/352407512.db2.gz ZZWFODCPXIXAMR-UWVGGRQHSA-N 1 0 294.311 -0.048 20 5 CBBDRO CC(C)[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000269292441 352465820 /nfs/dbraw/zinc/46/58/20/352465820.db2.gz UYCYRGIBYAFOJZ-SECBINFHSA-N 1 0 255.278 -0.109 20 5 CBBDRO CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000271011001 352506663 /nfs/dbraw/zinc/50/66/63/352506663.db2.gz ZTRCZUQHSIEYRD-JLLWLGSASA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[NH+](C)C ZINC000299522271 352725088 /nfs/dbraw/zinc/72/50/88/352725088.db2.gz PLGMEXSZLFHOCA-SECBINFHSA-N 1 0 282.300 -0.177 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](O)C2)c1 ZINC000304289835 352746187 /nfs/dbraw/zinc/74/61/87/352746187.db2.gz BYJJXERTCMSEHA-UWVGGRQHSA-N 1 0 256.262 -0.781 20 5 CBBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000330519484 352838641 /nfs/dbraw/zinc/83/86/41/352838641.db2.gz PISRZJGOVZNMPD-ZETCQYMHSA-N 1 0 253.262 -0.001 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000165599059 137627060 /nfs/dbraw/zinc/62/70/60/137627060.db2.gz HOVZBSGWFBRDBU-SSDOTTSWSA-N 1 0 255.230 -0.013 20 5 CBBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000153727225 188100066 /nfs/dbraw/zinc/10/00/66/188100066.db2.gz SMQHZYZKKMIKFH-SNVBAGLBSA-N 1 0 296.331 -0.015 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[NH2+]C1 ZINC000342761028 353231818 /nfs/dbraw/zinc/23/18/18/353231818.db2.gz RHYMMOWCSJHJEB-SECBINFHSA-N 1 0 267.289 -0.093 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)CC[NH3+] ZINC000349918099 353467703 /nfs/dbraw/zinc/46/77/03/353467703.db2.gz UEHCSCBONSRTFH-SSDOTTSWSA-N 1 0 255.278 -0.047 20 5 CBBDRO C[C@H](CC[NH3+])NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000349938231 353468520 /nfs/dbraw/zinc/46/85/20/353468520.db2.gz PNFSXAVGUFMYBR-MRVPVSSYSA-N 1 0 268.273 -0.390 20 5 CBBDRO CCn1cc(S(=O)(=O)NCC[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000353217284 353528546 /nfs/dbraw/zinc/52/85/46/353528546.db2.gz LSOMSFULBUVWNR-SSDOTTSWSA-N 1 0 291.333 -0.173 20 5 CBBDRO CCn1cc(S(=O)(=O)N(C)[C@H](C)C[NH3+])c([N+](=O)[O-])n1 ZINC000353217840 353529281 /nfs/dbraw/zinc/52/92/81/353529281.db2.gz MVPSIVYGYOUKLH-SSDOTTSWSA-N 1 0 291.333 -0.221 20 5 CBBDRO C[C@H](CC[NH+](C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353962691 353536293 /nfs/dbraw/zinc/53/62/93/353536293.db2.gz TYQZKINMYZHTDL-MRVPVSSYSA-N 1 0 270.293 -0.357 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000358038635 353620076 /nfs/dbraw/zinc/62/00/76/353620076.db2.gz BMJZJJNSRBVGFI-CYBMUJFWSA-N 1 0 294.311 -0.027 20 5 CBBDRO [NH3+]C[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000160353378 188468464 /nfs/dbraw/zinc/46/84/64/188468464.db2.gz CVYVBYQYCSEILE-VIFPVBQESA-N 1 0 280.284 -0.294 20 5 CBBDRO C[C@@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844326 353768170 /nfs/dbraw/zinc/76/81/70/353768170.db2.gz VGJXQIKPKVDCND-MWLCHTKSSA-N 1 0 297.315 -0.637 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408024334 353828020 /nfs/dbraw/zinc/82/80/20/353828020.db2.gz ZNJUEUZCCFNAQT-JTQLQIEISA-N 1 0 294.315 -0.117 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)[N@H+]1C ZINC000408170980 353863450 /nfs/dbraw/zinc/86/34/50/353863450.db2.gz ZFEMKOOPSFDMHT-DTORHVGOSA-N 1 0 282.304 -0.263 20 5 CBBDRO C[C@@H]1CN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000408111609 353850805 /nfs/dbraw/zinc/85/08/05/353850805.db2.gz DIMOCTBVDSUFPL-SECBINFHSA-N 1 0 267.289 -0.046 20 5 CBBDRO O=C(NCCN1CC[NH2+]CC1)Nc1ccncc1[N+](=O)[O-] ZINC000415391448 353964079 /nfs/dbraw/zinc/96/40/79/353964079.db2.gz WJNORAVNXNESIY-UHFFFAOYSA-N 1 0 294.315 -0.562 20 5 CBBDRO COCC[NH2+]CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415386418 353964112 /nfs/dbraw/zinc/96/41/12/353964112.db2.gz PEASCYQISKQCFN-UHFFFAOYSA-N 1 0 283.288 -0.231 20 5 CBBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000425058420 354235723 /nfs/dbraw/zinc/23/57/23/354235723.db2.gz PAQMZKKHZSSUAR-VHSXEESVSA-N 1 0 294.315 -0.261 20 5 CBBDRO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[NH2+]1 ZINC000446447354 354287657 /nfs/dbraw/zinc/28/76/57/354287657.db2.gz VWKIWXDUOPALAB-SSDOTTSWSA-N 1 0 253.262 -0.238 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447921117 354309011 /nfs/dbraw/zinc/30/90/11/354309011.db2.gz JLQSDNVIMBPPGB-NEPJUHHUSA-N 1 0 297.311 -0.114 20 5 CBBDRO O=C(CC[NH+]1C[C@H](O)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444695355 354276551 /nfs/dbraw/zinc/27/65/51/354276551.db2.gz MFPUQLIGRFGQCH-RYUDHWBXSA-N 1 0 295.295 -0.039 20 5 CBBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452349301 354349768 /nfs/dbraw/zinc/34/97/68/354349768.db2.gz BLVGFSPULJCFTI-SECBINFHSA-N 1 0 297.315 -0.106 20 5 CBBDRO CC[C@]1(O)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194067 354499740 /nfs/dbraw/zinc/49/97/40/354499740.db2.gz NNGSRXUOCYYIJJ-NEPJUHHUSA-N 1 0 284.316 -0.001 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547294433 354657694 /nfs/dbraw/zinc/65/76/94/354657694.db2.gz ORPZCAQVPXIFJZ-LBPRGKRZSA-N 1 0 282.300 -0.270 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000547274063 354657771 /nfs/dbraw/zinc/65/77/71/354657771.db2.gz WEUBGZBKPJVPMZ-GFCCVEGCSA-N 1 0 280.284 -0.214 20 5 CBBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000563118465 354697735 /nfs/dbraw/zinc/69/77/35/354697735.db2.gz UYIKGTFDWDJWKQ-MRVPVSSYSA-N 1 0 286.313 -0.028 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000563137186 354697918 /nfs/dbraw/zinc/69/79/18/354697918.db2.gz ASSBVRXVFYNERZ-CKYFFXLPSA-N 1 0 298.295 -0.316 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000564957088 354722557 /nfs/dbraw/zinc/72/25/57/354722557.db2.gz YVSTVQZRNGRVCV-ZJUUUORDSA-N 1 0 279.300 -0.080 20 5 CBBDRO COCCN(CC[NH+](C)C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547763499 354667610 /nfs/dbraw/zinc/66/76/10/354667610.db2.gz RDVJDDKYQBGMTB-UHFFFAOYSA-N 1 0 285.304 -0.032 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[NH2+]CCCO1 ZINC000568629597 354828692 /nfs/dbraw/zinc/82/86/92/354828692.db2.gz JJPFJMYSSGSFTN-NSHDSACASA-N 1 0 297.315 -0.324 20 5 CBBDRO COC[C@@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000570962845 354874224 /nfs/dbraw/zinc/87/42/24/354874224.db2.gz KCDUARWHWBDTFB-NSHDSACASA-N 1 0 283.288 -0.184 20 5 CBBDRO Cc1c(CNC(=O)C(=O)NC2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000570551368 354863816 /nfs/dbraw/zinc/86/38/16/354863816.db2.gz VDAFVTZZYWMYQR-UHFFFAOYSA-N 1 0 292.295 -0.393 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000572167426 354887973 /nfs/dbraw/zinc/88/79/73/354887973.db2.gz FKQVVJJNULWEMU-KOLCDFICSA-N 1 0 281.316 -0.109 20 5 CBBDRO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1(C)C ZINC000574097514 354928757 /nfs/dbraw/zinc/92/87/57/354928757.db2.gz ADTGIPAXKNADGJ-UHFFFAOYSA-N 1 0 282.304 -0.261 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000578466856 354947088 /nfs/dbraw/zinc/94/70/88/354947088.db2.gz UTZNJPLECJCDRB-UWVGGRQHSA-N 1 0 270.289 -0.534 20 5 CBBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000578858762 354956166 /nfs/dbraw/zinc/95/61/66/354956166.db2.gz PLWFCWHCEYBGCU-NSHDSACASA-N 1 0 293.327 -0.068 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC([NH3+])C1 ZINC000581012316 355003438 /nfs/dbraw/zinc/00/34/38/355003438.db2.gz DEEDAVCYTOOOJY-UHFFFAOYSA-N 1 0 254.250 -0.866 20 5 CBBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000584816755 355039042 /nfs/dbraw/zinc/03/90/42/355039042.db2.gz YJLRVODXDOGKTB-ZETCQYMHSA-N 1 0 253.262 -0.001 20 5 CBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000582288857 355012688 /nfs/dbraw/zinc/01/26/88/355012688.db2.gz FKLDTTMDVCPYKE-UHFFFAOYSA-N 1 0 278.268 -0.070 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[NH3+] ZINC000583498882 355017758 /nfs/dbraw/zinc/01/77/58/355017758.db2.gz AYHBVXBCWAOGGG-UHFFFAOYSA-N 1 0 255.278 -0.093 20 5 CBBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590444953 355081086 /nfs/dbraw/zinc/08/10/86/355081086.db2.gz OJFQGWXGKHSYFP-VHSXEESVSA-N 1 0 279.300 -0.046 20 5 CBBDRO Cc1n[nH]c(C(=O)N[C@@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000588865186 355062202 /nfs/dbraw/zinc/06/22/02/355062202.db2.gz YJOMTDDQRPNXAM-SSDOTTSWSA-N 1 0 271.277 -0.721 20 5 CBBDRO O=C1NCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591735405 355112435 /nfs/dbraw/zinc/11/24/35/355112435.db2.gz YYVMPAMLMHFOKS-MWLCHTKSSA-N 1 0 297.315 -0.732 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000592551677 355162017 /nfs/dbraw/zinc/16/20/17/355162017.db2.gz KPHDGDDZSPDIIQ-VIFPVBQESA-N 1 0 296.283 -0.100 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000592307351 355147196 /nfs/dbraw/zinc/14/71/96/355147196.db2.gz FYVNEPKQNNZGFK-POYBYMJQSA-N 1 0 269.261 -0.494 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)CO ZINC000592430495 355152774 /nfs/dbraw/zinc/15/27/74/355152774.db2.gz UVOYBECDTVDNPI-UWVGGRQHSA-N 1 0 286.284 -0.723 20 5 CBBDRO Cc1[nH]nc(C(=O)N(C)CCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000592468669 355155610 /nfs/dbraw/zinc/15/56/10/355155610.db2.gz CXVSKSVEEYEKEC-UHFFFAOYSA-N 1 0 296.331 -0.396 20 5 CBBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592468518 355155721 /nfs/dbraw/zinc/15/57/21/355155721.db2.gz BAXLWDNHJIAJOZ-UHFFFAOYSA-N 1 0 282.304 -0.705 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000592477267 355156603 /nfs/dbraw/zinc/15/66/03/355156603.db2.gz UMGZFCBSQWJBSI-DTWKUNHWSA-N 1 0 283.288 -0.634 20 5 CBBDRO [NH3+]C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000592983505 355188764 /nfs/dbraw/zinc/18/87/64/355188764.db2.gz WCQDGCNPLBZSHH-NSHDSACASA-N 1 0 269.305 -0.159 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000592985013 355188804 /nfs/dbraw/zinc/18/88/04/355188804.db2.gz ZXYQPJFOASHJDQ-KOLCDFICSA-N 1 0 269.305 -0.161 20 5 CBBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000593912245 355228809 /nfs/dbraw/zinc/22/88/09/355228809.db2.gz CSTFJZXUHNRCFR-CABZTGNLSA-N 1 0 294.315 -0.226 20 5 CBBDRO [NH3+]C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000594451929 355248738 /nfs/dbraw/zinc/24/87/38/355248738.db2.gz TYMVPMZLHATBRY-LURJTMIESA-N 1 0 281.194 -0.203 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000594358980 355243498 /nfs/dbraw/zinc/24/34/98/355243498.db2.gz BLQAOJFLHXNXFL-IUCAKERBSA-N 1 0 283.288 -0.925 20 5 CBBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594385121 355245548 /nfs/dbraw/zinc/24/55/48/355245548.db2.gz DCYMHGXXXLJLRB-JGVFFNPUSA-N 1 0 281.272 -0.791 20 5 CBBDRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595106366 355271597 /nfs/dbraw/zinc/27/15/97/355271597.db2.gz UFLRZLDUKABVTC-ZETCQYMHSA-N 1 0 272.286 -0.289 20 5 CBBDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108874 355271637 /nfs/dbraw/zinc/27/16/37/355271637.db2.gz VKGLLHMEPGZLHM-ZETCQYMHSA-N 1 0 274.302 -0.137 20 5 CBBDRO CC(C)OC[C@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595250104 355274724 /nfs/dbraw/zinc/27/47/24/355274724.db2.gz KMKFBWUEHMTYJJ-JTQLQIEISA-N 1 0 285.304 -0.340 20 5 CBBDRO O=[N+]([O-])c1ccc(-n2cc(CN3CC[NH2+]CC3)nn2)nc1 ZINC000594649095 355256755 /nfs/dbraw/zinc/25/67/55/355256755.db2.gz GZMVZZYTTFYCQU-UHFFFAOYSA-N 1 0 289.299 -0.024 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)C2CCC2)c1 ZINC000595617945 355297851 /nfs/dbraw/zinc/29/78/51/355297851.db2.gz VRSYTGVUNIILKH-NEPJUHHUSA-N 1 0 284.316 -0.097 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)C2CCC2)c1 ZINC000595617948 355297895 /nfs/dbraw/zinc/29/78/95/355297895.db2.gz VRSYTGVUNIILKH-RYUDHWBXSA-N 1 0 284.316 -0.097 20 5 CBBDRO C[NH2+]C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000595984121 355335463 /nfs/dbraw/zinc/33/54/63/355335463.db2.gz VFQVUBNWVIFWPO-ZETCQYMHSA-N 1 0 255.278 -0.176 20 5 CBBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595765593 355305242 /nfs/dbraw/zinc/30/52/42/355305242.db2.gz JQRKEAHDYVJREI-YUSALJHKSA-N 1 0 284.316 -0.003 20 5 CBBDRO COc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])C[C@@H](O)CO ZINC000595901113 355315806 /nfs/dbraw/zinc/31/58/06/355315806.db2.gz AAVSOOWSPNARAK-GFCCVEGCSA-N 1 0 299.327 -0.283 20 5 CBBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1(O)C[NH2+]C1 ZINC000595924529 355319307 /nfs/dbraw/zinc/31/93/07/355319307.db2.gz FQEPZCSUNFYUGH-UHFFFAOYSA-N 1 0 251.242 -0.455 20 5 CBBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595956597 355327899 /nfs/dbraw/zinc/32/78/99/355327899.db2.gz OFRRDKYSUXMRSQ-VHSXEESVSA-N 1 0 283.288 -0.729 20 5 CBBDRO CN(CC(C)(C)[NH3+])C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000595961387 355329720 /nfs/dbraw/zinc/32/97/20/355329720.db2.gz LGHOPYWJPONODT-UHFFFAOYSA-N 1 0 282.300 -0.048 20 5 CBBDRO C[C@@]1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC000595993168 355337152 /nfs/dbraw/zinc/33/71/52/355337152.db2.gz WFWMCXZKSQJOSO-SNVBAGLBSA-N 1 0 253.262 -0.341 20 5 CBBDRO Nc1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc1[N+](=O)[O-] ZINC000596013650 355338719 /nfs/dbraw/zinc/33/87/19/355338719.db2.gz ITVYQHDBMIGKBY-CBAPKCEASA-N 1 0 292.299 -0.680 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCOC2(C[NH2+]C2)C1 ZINC000596580182 355359167 /nfs/dbraw/zinc/35/91/67/355359167.db2.gz LUHNLVDQPOICML-UHFFFAOYSA-N 1 0 266.257 -0.263 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1c[nH]nc1[N+](=O)[O-] ZINC000597627423 355402080 /nfs/dbraw/zinc/40/20/80/355402080.db2.gz ZQONSAZEAWRXJA-VIFPVBQESA-N 1 0 294.315 -0.562 20 5 CBBDRO [NH3+]CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598663134 355449145 /nfs/dbraw/zinc/44/91/45/355449145.db2.gz SXFVOFFUGNBIDD-UHFFFAOYSA-N 1 0 281.272 -0.209 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598163956 355433382 /nfs/dbraw/zinc/43/33/82/355433382.db2.gz RFWVZQSGFQUHRG-UHFFFAOYSA-N 1 0 267.289 -0.189 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000597574824 355397171 /nfs/dbraw/zinc/39/71/71/355397171.db2.gz SAOMBUQKPJISNI-GFCCVEGCSA-N 1 0 297.315 -0.153 20 5 CBBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@H]21 ZINC000599988777 355522431 /nfs/dbraw/zinc/52/24/31/355522431.db2.gz LXEJZJXXRYEAGQ-MBTKJCJQSA-N 1 0 280.288 -0.795 20 5 CBBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C[C@H]21 ZINC000599992214 355522625 /nfs/dbraw/zinc/52/26/25/355522625.db2.gz UHKAZJIOGIGYCX-BRPSZJMVSA-N 1 0 265.273 -0.050 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[N@H+]1CC[C@H](O)C1 ZINC000600805877 355567008 /nfs/dbraw/zinc/56/70/08/355567008.db2.gz AXPKQVFGTRVKNM-NSHDSACASA-N 1 0 297.315 -0.636 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600839839 355569022 /nfs/dbraw/zinc/56/90/22/355569022.db2.gz RLCLXVUBFZJQHE-SECBINFHSA-N 1 0 296.283 -0.508 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC000602587781 355663071 /nfs/dbraw/zinc/66/30/71/355663071.db2.gz IQSPAPGMPSHSQY-YUMQZZPRSA-N 1 0 265.273 -0.003 20 5 CBBDRO Cn1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000603430065 355715375 /nfs/dbraw/zinc/71/53/75/355715375.db2.gz RAYCAYDUSVDYML-GFCCVEGCSA-N 1 0 294.359 -0.192 20 5 CBBDRO C[C@@H](C[NH3+])N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000179201436 189177084 /nfs/dbraw/zinc/17/70/84/189177084.db2.gz RVNHFHYNIJNPIV-QMMMGPOBSA-N 1 0 268.273 -0.438 20 5 CBBDRO CCn1cc(S(=O)(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000353220703 219970278 /nfs/dbraw/zinc/97/02/78/219970278.db2.gz VRFOOJHMXWOBMH-ZETCQYMHSA-N 1 0 289.317 -0.467 20 5 CBBDRO NC(=O)[C@@]1(O)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000276491908 193354156 /nfs/dbraw/zinc/35/41/56/193354156.db2.gz VOSVQCCVZOSAEG-CYBMUJFWSA-N 1 0 295.295 -0.104 20 5 CBBDRO COc1cc(S(=O)(=O)NCC[NH3+])ccc1[N+](=O)[O-] ZINC000237087809 189862620 /nfs/dbraw/zinc/86/26/20/189862620.db2.gz FMBCKCMHQQJFGI-UHFFFAOYSA-N 1 0 275.286 -0.160 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000344067564 217035910 /nfs/dbraw/zinc/03/59/10/217035910.db2.gz PVEHDEWHQRQEBL-SQNXGDPESA-N 1 0 296.327 -0.145 20 5 CBBDRO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C[NH3+])C1 ZINC000574400352 335016467 /nfs/dbraw/zinc/01/64/67/335016467.db2.gz IILYQZYNURQACP-HTQZYQBOSA-N 1 0 283.288 -0.104 20 5 CBBDRO [NH3+]C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000237881894 189892245 /nfs/dbraw/zinc/89/22/45/189892245.db2.gz CDLIOIJIXLDQJC-QMMMGPOBSA-N 1 0 253.262 -0.355 20 5 CBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000514605903 373757198 /nfs/dbraw/zinc/75/71/98/373757198.db2.gz WCKDRGYUWNCXBZ-CMPLNLGQSA-N 1 0 295.295 -0.187 20 5 CBBDRO CN(C(=O)C[NH2+]C(CO)CO)c1ccc([N+](=O)[O-])cc1 ZINC000521267632 373841395 /nfs/dbraw/zinc/84/13/95/373841395.db2.gz UTGZCPOEXZIIMQ-UHFFFAOYSA-N 1 0 283.284 -0.500 20 5 CBBDRO CN(C)C(=O)C(C)(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000532716170 374174231 /nfs/dbraw/zinc/17/42/31/374174231.db2.gz FDCRFBJVWLAVAK-SNVBAGLBSA-N 1 0 299.331 -0.391 20 5 CBBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[NH+](C)C ZINC000550604085 374234227 /nfs/dbraw/zinc/23/42/27/374234227.db2.gz FPJJQEBMAQYLHO-MRVPVSSYSA-N 1 0 298.299 -0.016 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[C@H]1CC[NH2+]C1 ZINC000262598097 190058342 /nfs/dbraw/zinc/05/83/42/190058342.db2.gz WAGRWRYGPGAUQX-SECBINFHSA-N 1 0 267.289 -0.093 20 5 CBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356461360 248254804 /nfs/dbraw/zinc/25/48/04/248254804.db2.gz OURSMYPOXQCYNR-SECBINFHSA-N 1 0 297.315 -0.221 20 5 CBBDRO COC[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000357277304 248343810 /nfs/dbraw/zinc/34/38/10/248343810.db2.gz VXVHOYJLDYZASP-LBPRGKRZSA-N 1 0 297.315 -0.324 20 5 CBBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357295158 248348831 /nfs/dbraw/zinc/34/88/31/248348831.db2.gz JTWOCKPBKPGEJD-KHQFGBGNSA-N 1 0 282.304 -0.311 20 5 CBBDRO C[C@H](C[NH3+])NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000347667461 218313618 /nfs/dbraw/zinc/31/36/18/218313618.db2.gz FZIAEAULSSYGMN-SSDOTTSWSA-N 1 0 254.246 -0.780 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[NH3+] ZINC000347706240 218328535 /nfs/dbraw/zinc/32/85/35/218328535.db2.gz WROQFNJLLLPGHL-SSDOTTSWSA-N 1 0 255.278 -0.047 20 5 CBBDRO CC[C@](C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000133428631 207376304 /nfs/dbraw/zinc/37/63/04/207376304.db2.gz SYSNYXRTHUZPPT-ONGXEEELSA-N 1 0 285.304 -0.604 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2CCO)c1 ZINC000426257371 208045326 /nfs/dbraw/zinc/04/53/26/208045326.db2.gz VPZJLVZWIISJRA-JQWIXIFHSA-N 1 0 284.316 -0.001 20 5 CBBDRO Cc1n[nH]c(C(=O)NCCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000428739665 208099695 /nfs/dbraw/zinc/09/96/95/208099695.db2.gz RQHITHOXCAMUGM-UHFFFAOYSA-N 1 0 296.331 -0.349 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000428140236 208079693 /nfs/dbraw/zinc/07/96/93/208079693.db2.gz FCNMLGJHISJGRW-RKDXNWHRSA-N 1 0 282.304 -0.085 20 5 CBBDRO [NH3+][C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000428370841 208086480 /nfs/dbraw/zinc/08/64/80/208086480.db2.gz CBGONQOMLCSXSB-MRVPVSSYSA-N 1 0 253.262 -0.259 20 5 CBBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000428626031 208095341 /nfs/dbraw/zinc/09/53/41/208095341.db2.gz KJMCJTQQEBHIDI-VIFPVBQESA-N 1 0 267.289 -0.011 20 5 CBBDRO C[NH2+]CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000429089702 208107056 /nfs/dbraw/zinc/10/70/56/208107056.db2.gz ZCGQQIVAVUOHNC-UHFFFAOYSA-N 1 0 255.278 -0.175 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1[NH3+] ZINC000429180355 208114152 /nfs/dbraw/zinc/11/41/52/208114152.db2.gz XRNFMRHYRZHQMX-ONGXEEELSA-N 1 0 294.311 -0.048 20 5 CBBDRO [NH3+]CC1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCCC1 ZINC000429363244 208120217 /nfs/dbraw/zinc/12/02/17/208120217.db2.gz OORCSNZCAOXFTK-UHFFFAOYSA-N 1 0 268.277 -0.426 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429426012 208121632 /nfs/dbraw/zinc/12/16/32/208121632.db2.gz MAWQANWLDRVPNO-JTQLQIEISA-N 1 0 294.311 -0.128 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278659526 285164593 /nfs/dbraw/zinc/16/45/93/285164593.db2.gz HTICRBQHTSHOIZ-ZMLRMANQSA-N 1 0 298.295 -0.628 20 5 CBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285557607 196325585 /nfs/dbraw/zinc/32/55/85/196325585.db2.gz VBYOUGKCJRHGPZ-MRVPVSSYSA-N 1 0 283.288 -0.232 20 5 CBBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285597645 196339137 /nfs/dbraw/zinc/33/91/37/196339137.db2.gz YBWDQCXMRGWQFH-SECBINFHSA-N 1 0 296.331 -0.316 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676229 174373776 /nfs/dbraw/zinc/37/37/76/174373776.db2.gz LJVYLLXHPGKBGP-UHFFFAOYSA-N 1 0 280.284 -0.672 20 5 CBBDRO C[NH+]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044684497 175230686 /nfs/dbraw/zinc/23/06/86/175230686.db2.gz HCDLBSKVVHRQNZ-UHFFFAOYSA-N 1 0 296.331 -0.845 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](CC2CC2)CC1 ZINC000147556543 544464361 /nfs/dbraw/zinc/46/43/61/544464361.db2.gz WOVWDLRQDMFUCQ-UHFFFAOYSA-N 1 0 294.315 -0.260 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000358510771 419897302 /nfs/dbraw/zinc/89/73/02/419897302.db2.gz MENRVFNOKLZRSM-SSDOTTSWSA-N 1 0 269.261 -0.574 20 5 CBBDRO CO[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000359210687 419949591 /nfs/dbraw/zinc/94/95/91/419949591.db2.gz BJQGAFSNUKPFLG-MWLCHTKSSA-N 1 0 297.315 -0.244 20 5 CBBDRO Cc1n[nH]c(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000359417008 419964153 /nfs/dbraw/zinc/96/41/53/419964153.db2.gz QXMHYJNZJGKUEB-YUMQZZPRSA-N 1 0 265.273 -0.082 20 5 CBBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000364932484 420049074 /nfs/dbraw/zinc/04/90/74/420049074.db2.gz FOJZWLILKJADPY-SECBINFHSA-N 1 0 297.315 -0.153 20 5 CBBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000365334303 420061819 /nfs/dbraw/zinc/06/18/19/420061819.db2.gz ISIWMHYSQCINBC-YNEHKIRRSA-N 1 0 296.371 -0.110 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368385790 420130070 /nfs/dbraw/zinc/13/00/70/420130070.db2.gz QUGKDOASKGWHGW-IUCAKERBSA-N 1 0 285.279 -0.002 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405214719 420225469 /nfs/dbraw/zinc/22/54/69/420225469.db2.gz JOYHDJKIOJAOAW-GXSJLCMTSA-N 1 0 294.311 -0.176 20 5 CBBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[NH2+]CCO1 ZINC000423719699 420257357 /nfs/dbraw/zinc/25/73/57/420257357.db2.gz GEKVZVNEEOHYMP-SNVBAGLBSA-N 1 0 291.267 0.398 20 5 CBBDRO C[NH+](C)CCN1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000377538091 230290466 /nfs/dbraw/zinc/29/04/66/230290466.db2.gz SCUCLBZRTLYFPD-VXGBXAGGSA-N 1 0 284.360 -0.253 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000572899091 420458146 /nfs/dbraw/zinc/45/81/46/420458146.db2.gz SKPUCRIMGUSSPZ-GFCCVEGCSA-N 1 0 295.299 -0.632 20 5 CBBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000594592761 420486337 /nfs/dbraw/zinc/48/63/37/420486337.db2.gz VYMSOSPMFMBGMC-ZKCHVHJHSA-N 1 0 266.305 0.141 20 5 CBBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)nc1 ZINC000599201222 420491931 /nfs/dbraw/zinc/49/19/31/420491931.db2.gz GRYQBCGUTGSLJF-JTQLQIEISA-N 1 0 252.274 0.468 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1O ZINC000516936690 260333959 /nfs/dbraw/zinc/33/39/59/260333959.db2.gz LAHAFLWDYFMARC-IUCAKERBSA-N 1 0 268.273 -0.330 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000582057234 327824869 /nfs/dbraw/zinc/82/48/69/327824869.db2.gz WXRFXRYTTCQCNU-DTWKUNHWSA-N 1 0 280.288 -0.603 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1O ZINC000563695810 328479570 /nfs/dbraw/zinc/47/95/70/328479570.db2.gz GQIUOBIBEWOHFU-YUMQZZPRSA-N 1 0 269.261 -0.935 20 5 CBBDRO COC[C@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC000564836477 327000227 /nfs/dbraw/zinc/00/02/27/327000227.db2.gz CRBWQCRPDFVPBD-LBPRGKRZSA-N 1 0 297.315 -0.466 20 5 CBBDRO [NH3+][C@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000569139740 327038334 /nfs/dbraw/zinc/03/83/34/327038334.db2.gz SSYXZIPCOVKQMS-SCZZXKLOSA-N 1 0 295.274 -0.123 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584124285 327046177 /nfs/dbraw/zinc/04/61/77/327046177.db2.gz ABXSSGFWJGGGDF-SFYZADRCSA-N 1 0 280.288 -0.924 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558749854 327118913 /nfs/dbraw/zinc/11/89/13/327118913.db2.gz YRZLCYXXOXVFOU-UHFFFAOYSA-N 1 0 271.277 -0.374 20 5 CBBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1[nH]ncc1[N+](=O)[O-] ZINC000560508106 327316339 /nfs/dbraw/zinc/31/63/39/327316339.db2.gz RKQMHXPOPXRJQO-GFCCVEGCSA-N 1 0 295.299 -0.496 20 5 CBBDRO C[C@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000565706572 334589386 /nfs/dbraw/zinc/58/93/86/334589386.db2.gz KJBPWBJHZYLPGY-QMMMGPOBSA-N 1 0 292.295 -0.140 20 5 CBBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000568501521 334827223 /nfs/dbraw/zinc/82/72/23/334827223.db2.gz PHWONRYESOTDEZ-YUMQZZPRSA-N 1 0 253.262 -0.261 20 5 CBBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000578858761 335681226 /nfs/dbraw/zinc/68/12/26/335681226.db2.gz PLWFCWHCEYBGCU-LLVKDONJSA-N 1 0 293.327 -0.068 20 5 CBBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C(CO)CO)c1 ZINC000580723103 335960161 /nfs/dbraw/zinc/96/01/61/335960161.db2.gz PJHKGKMCCYSDBC-UHFFFAOYSA-N 1 0 256.258 -0.084 20 5 CBBDRO CC[N@H+](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000354875679 528484069 /nfs/dbraw/zinc/48/40/69/528484069.db2.gz ANSJEDXOMDVTTI-UHFFFAOYSA-N 1 0 282.304 -0.213 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCC[N@H+](C)C1 ZINC000356809275 536012960 /nfs/dbraw/zinc/01/29/60/536012960.db2.gz RFZMSFCJSKFVCG-VIFPVBQESA-N 1 0 282.304 -0.261 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCC[N@H+](C)C1 ZINC000356809273 536013068 /nfs/dbraw/zinc/01/30/68/536013068.db2.gz RFZMSFCJSKFVCG-SECBINFHSA-N 1 0 282.304 -0.261 20 5 CBBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C(CO)CO)cc1 ZINC000134757653 582125185 /nfs/dbraw/zinc/12/51/85/582125185.db2.gz UAPNQZSNZLAKEC-LLVKDONJSA-N 1 0 256.258 -0.429 20 5 CBBDRO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000743272075 582276297 /nfs/dbraw/zinc/27/62/97/582276297.db2.gz MANSSKMJJGVFOF-PWSUYJOCSA-N 1 0 283.332 -0.212 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)C2CC2)c1 ZINC000763068668 582319394 /nfs/dbraw/zinc/31/93/94/582319394.db2.gz MMQDUQBVIMXKKD-WDEREUQCSA-N 1 0 270.289 -0.487 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808222798 582442431 /nfs/dbraw/zinc/44/24/31/582442431.db2.gz XXKCYDMJEOVLBG-SNVBAGLBSA-N 1 0 297.315 -0.636 20 5 CBBDRO Cn1nnnc1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819205809 582528796 /nfs/dbraw/zinc/52/87/96/582528796.db2.gz NSNGRLGJVHXLMS-NSHDSACASA-N 1 0 292.299 -0.016 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@]1(F)CC[NH2+]C1 ZINC000831411784 582979918 /nfs/dbraw/zinc/97/99/18/582979918.db2.gz IUDUOPGNEHLVPI-SNVBAGLBSA-N 1 0 271.252 -0.391 20 5 CBBDRO CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000834301548 583119679 /nfs/dbraw/zinc/11/96/79/583119679.db2.gz LHLYVCHNKUCTFF-SNVBAGLBSA-N 1 0 293.327 -0.108 20 5 CBBDRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839663937 583157368 /nfs/dbraw/zinc/15/73/68/583157368.db2.gz VTDSXMZFVIOSQY-HBNTYKKESA-N 1 0 271.317 -0.121 20 5 CBBDRO COC(=O)[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843089056 583201048 /nfs/dbraw/zinc/20/10/48/583201048.db2.gz QOKPGNXMWDEXKA-QWRGUYRKSA-N 1 0 284.268 -0.248 20 5 CBBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848024194 583421394 /nfs/dbraw/zinc/42/13/94/583421394.db2.gz FPPDWCADDMNWCQ-HBNTYKKESA-N 1 0 273.333 -0.139 20 5 CBBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000854014937 583593301 /nfs/dbraw/zinc/59/33/01/583593301.db2.gz FQDPLQUTJGQSTH-UHFFFAOYSA-N 1 0 292.295 -0.009 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000854466273 583604209 /nfs/dbraw/zinc/60/42/09/583604209.db2.gz ZWIRPKRHEZWDPD-ZETCQYMHSA-N 1 0 283.288 -0.776 20 5 CBBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000858640173 583699926 /nfs/dbraw/zinc/69/99/26/583699926.db2.gz MRGTZAOLVHHNSC-ZETCQYMHSA-N 1 0 274.302 -0.043 20 5 CBBDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000858640172 583699940 /nfs/dbraw/zinc/69/99/40/583699940.db2.gz MRGTZAOLVHHNSC-SSDOTTSWSA-N 1 0 274.302 -0.043 20 5 CBBDRO C[C@H]([NH3+])CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000861613217 583772218 /nfs/dbraw/zinc/77/22/18/583772218.db2.gz DUSLFKQJTVTAOH-QMMMGPOBSA-N 1 0 270.293 -0.220 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000862212704 583803094 /nfs/dbraw/zinc/80/30/94/583803094.db2.gz KCBFVDKUMHJAJJ-VXGBXAGGSA-N 1 0 283.328 -0.025 20 5 CBBDRO Nc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000863330242 583838996 /nfs/dbraw/zinc/83/89/96/583838996.db2.gz YDVBJFTWUQWYLT-SNVBAGLBSA-N 1 0 294.311 -0.027 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000893186783 584636314 /nfs/dbraw/zinc/63/63/14/584636314.db2.gz FCBRFNPWAPTIEK-JTQLQIEISA-N 1 0 255.278 -0.193 20 5 CBBDRO O=C(NCC1CN(CC[N+](=O)[O-])C1)C(F)(F)F ZINC000899894430 584783385 /nfs/dbraw/zinc/78/33/85/584783385.db2.gz ZZLQSONBQREMKU-UHFFFAOYSA-N 1 0 255.196 -0.127 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000923379865 658246634 /nfs/dbraw/zinc/24/66/34/658246634.db2.gz APTLSSOQYWQUOV-LBPRGKRZSA-N 1 0 295.343 -0.020 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000923454794 658286286 /nfs/dbraw/zinc/28/62/86/658286286.db2.gz OIQZGDZGUNIVAQ-CYZMBNFOSA-N 1 0 295.343 -0.164 20 5 CBBDRO CCN(CC)C(=O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228808327 656110387 /nfs/dbraw/zinc/11/03/87/656110387.db2.gz BHIXNIRFIZSGQZ-LLVKDONJSA-N 1 0 299.331 -0.390 20 5 CBBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C2 ZINC000703580625 656183635 /nfs/dbraw/zinc/18/36/35/656183635.db2.gz GGBPUQRFGQMWFR-JOYOIKCWSA-N 1 0 279.300 -0.141 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@](O)(C[NH+](C)C)C1 ZINC000713669811 656212793 /nfs/dbraw/zinc/21/27/93/656212793.db2.gz PXBCKOJFYWFFSJ-NSHDSACASA-N 1 0 269.305 -0.169 20 5 CBBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000905122692 656340333 /nfs/dbraw/zinc/34/03/33/656340333.db2.gz TZMVFVIBIOZKFR-LBPRGKRZSA-N 1 0 272.349 -0.741 20 5 CBBDRO O=[N+]([O-])CC[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000905283826 656347597 /nfs/dbraw/zinc/34/75/97/656347597.db2.gz ILDQLUPAEBGOPY-UHFFFAOYSA-N 1 0 273.333 -0.266 20 5 CBBDRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000913677110 657580326 /nfs/dbraw/zinc/58/03/26/657580326.db2.gz ALBQYFBGVCMIFB-NXEZZACHSA-N 1 0 271.317 -0.433 20 5 CBBDRO Cn1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001020138848 658018280 /nfs/dbraw/zinc/01/82/80/658018280.db2.gz DRVKBLDHJLXFBM-DDHJBXDOSA-N 1 0 293.327 -0.178 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923293102 658195155 /nfs/dbraw/zinc/19/51/55/658195155.db2.gz NHDWHUSITPDERI-NTZNESFSSA-N 1 0 295.343 -0.022 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923293101 658195499 /nfs/dbraw/zinc/19/54/99/658195499.db2.gz NHDWHUSITPDERI-MDZLAQPJSA-N 1 0 295.343 -0.022 20 5 CBBDRO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C[NH2+]1 ZINC000923362402 658236665 /nfs/dbraw/zinc/23/66/65/658236665.db2.gz SMOJBSPALHTUBF-FOGDFJRCSA-N 1 0 283.332 -0.166 20 5 CBBDRO Cn1cc(CN2CCC[C@@H]([NH2+]CCO)C2)c([N+](=O)[O-])n1 ZINC000923410143 658263019 /nfs/dbraw/zinc/26/30/19/658263019.db2.gz YOZXFRUXQWAAQB-LLVKDONJSA-N 1 0 283.332 -0.125 20 5 CBBDRO Cn1cc(CN2CCC[C@H]([NH2+]CCO)C2)c([N+](=O)[O-])n1 ZINC000923410144 658263464 /nfs/dbraw/zinc/26/34/64/658263464.db2.gz YOZXFRUXQWAAQB-NSHDSACASA-N 1 0 283.332 -0.125 20 5 CBBDRO CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923425422 658275200 /nfs/dbraw/zinc/27/52/00/658275200.db2.gz MYYRACBLOVWVSI-JQWIXIFHSA-N 1 0 283.332 -0.164 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928563817 659046170 /nfs/dbraw/zinc/04/61/70/659046170.db2.gz SKEKOPRGDJKZQU-SECBINFHSA-N 1 0 267.289 -0.080 20 5 CBBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000928569604 659048419 /nfs/dbraw/zinc/04/84/19/659048419.db2.gz NJZNIEQRNOCUDE-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCO)CC1 ZINC000981138162 659309779 /nfs/dbraw/zinc/30/97/79/659309779.db2.gz NQNPRFGKWHJPQX-NXEZZACHSA-N 1 0 257.290 -0.822 20 5 CBBDRO Nc1cc(N2CCN3CC[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164398129 718835609 /nfs/dbraw/zinc/83/56/09/718835609.db2.gz CDSRCPJJENXZDJ-VIFPVBQESA-N 1 0 278.316 -0.334 20 5 CBBDRO COc1ncnc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164668475 719394336 /nfs/dbraw/zinc/39/43/36/719394336.db2.gz RTOJSIBSYSFHIA-IUCAKERBSA-N 1 0 295.299 -0.087 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001325825630 804319210 /nfs/dbraw/zinc/31/92/10/804319210.db2.gz HSXHEGZRSFQZKR-BQBZGAKWSA-N 1 0 272.240 -0.998 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001325826528 804320363 /nfs/dbraw/zinc/32/03/63/804320363.db2.gz UAHCGSXWQQVXDO-UWVGGRQHSA-N 1 0 294.311 -0.048 20 5 CBBDRO [NH3+]C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC001325855299 804325493 /nfs/dbraw/zinc/32/54/93/804325493.db2.gz GFPBHTXYLCOAOX-SSDOTTSWSA-N 1 0 254.250 -0.960 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2[NH3+])n1 ZINC001155345467 815277893 /nfs/dbraw/zinc/27/78/93/815277893.db2.gz DHCAKENJSJUYOD-NKWVEPMBSA-N 1 0 269.261 -0.160 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001155479785 815286985 /nfs/dbraw/zinc/28/69/85/815286985.db2.gz GDJWLEXNBHVQIL-FBIMIBRVSA-N 1 0 280.284 -0.126 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])cc[n+]2[O-])N1 ZINC001155570149 815294136 /nfs/dbraw/zinc/29/41/36/815294136.db2.gz KXMBCEJCPQAFJG-GZMMTYOYSA-N 1 0 279.256 -0.782 20 5 CBBDRO COc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155570998 815294775 /nfs/dbraw/zinc/29/47/75/815294775.db2.gz QCAVKZSKCYBHBG-UFBFGSQYSA-N 1 0 293.283 -0.012 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155573147 815295490 /nfs/dbraw/zinc/29/54/90/815295490.db2.gz YPDGXSXNIDAVCI-GZMMTYOYSA-N 1 0 278.272 -0.317 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cccc([N+](=O)[O-])n2)N1 ZINC001155571533 815295552 /nfs/dbraw/zinc/29/55/52/815295552.db2.gz SRFFHYNOJVKQJB-WRWORJQWSA-N 1 0 263.257 -0.020 20 5 CBBDRO COc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155571867 815295655 /nfs/dbraw/zinc/29/56/55/815295655.db2.gz UPAQVKGVRLGSAC-JOYOIKCWSA-N 1 0 293.283 -0.012 20 5 CBBDRO Nc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155574087 815296771 /nfs/dbraw/zinc/29/67/71/815296771.db2.gz DWXRKUOQWBWTAW-LDYMZIIASA-N 1 0 278.272 -0.438 20 5 CBBDRO COc1nc(N2CC[C@@H]([NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001156225430 815346696 /nfs/dbraw/zinc/34/66/96/815346696.db2.gz DMJGQPCIMBAVIF-ZCFIWIBFSA-N 1 0 269.261 -0.061 20 5 CBBDRO C[C@H](CCO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156450996 815359471 /nfs/dbraw/zinc/35/94/71/815359471.db2.gz YUWQAYVCJUNSTR-SECBINFHSA-N 1 0 296.331 -0.023 20 5 CBBDRO Nc1nc(-n2nnc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC001156984590 815394687 /nfs/dbraw/zinc/39/46/87/815394687.db2.gz JZNOCZDMOKNOOZ-UHFFFAOYSA-N 1 0 250.222 -0.951 20 5 CBBDRO [NH3+]CCc1nnn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)n1 ZINC001156989555 815397335 /nfs/dbraw/zinc/39/73/35/815397335.db2.gz ZTPOKHLFVLSMMW-UHFFFAOYSA-N 1 0 274.244 -0.052 20 5 CBBDRO N=CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157073139 815402699 /nfs/dbraw/zinc/40/26/99/815402699.db2.gz BXNXVEDOHXKQND-UHFFFAOYSA-N 1 0 251.250 -0.187 20 5 CBBDRO Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157767556 815462541 /nfs/dbraw/zinc/46/25/41/815462541.db2.gz QLDOSXJGIZTDPC-GHMZBOCLSA-N 1 0 281.316 -0.319 20 5 CBBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC1CC1 ZINC001157761389 815462573 /nfs/dbraw/zinc/46/25/73/815462573.db2.gz QKMKVQTYADEAHH-GHMZBOCLSA-N 1 0 298.343 -0.726 20 5 CBBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CC1 ZINC001157767145 815463202 /nfs/dbraw/zinc/46/32/02/815463202.db2.gz ICMPRVUUNMLUQA-NXEZZACHSA-N 1 0 284.316 -0.974 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1nnnc1C[NH3+] ZINC001158074610 815500428 /nfs/dbraw/zinc/50/04/28/815500428.db2.gz JWAINPRVNYOJAR-UHFFFAOYSA-N 1 0 279.216 -0.789 20 5 CBBDRO O=[N+]([O-])c1cnc(NCC2OCCO2)nc1C1C[NH2+]C1 ZINC001158204290 815514000 /nfs/dbraw/zinc/51/40/00/815514000.db2.gz UYRXLITYTHPETK-UHFFFAOYSA-N 1 0 281.272 -0.144 20 5 CBBDRO Cc1nn(C)c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC001116367166 812249696 /nfs/dbraw/zinc/24/96/96/812249696.db2.gz SJULYJPRFRYHKH-LBPRGKRZSA-N 1 0 299.331 -0.321 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001117737929 812441610 /nfs/dbraw/zinc/44/16/10/812441610.db2.gz XUVQGWJHZHOZTB-DTWKUNHWSA-N 1 0 295.299 -0.401 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1nncc1C[NH3+] ZINC001158420746 815527864 /nfs/dbraw/zinc/52/78/64/815527864.db2.gz YQCSFAKEWCHXOP-UHFFFAOYSA-N 1 0 278.228 -0.184 20 5 CBBDRO CC[NH2+][C@H](C)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001118085946 812468866 /nfs/dbraw/zinc/46/88/66/812468866.db2.gz OLBQLIFMUAFFIF-SSDOTTSWSA-N 1 0 256.266 -0.700 20 5 CBBDRO C[C@H]1C[NH2+]CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118195582 812490268 /nfs/dbraw/zinc/49/02/68/812490268.db2.gz ODXWZEAGNSWALH-VIFPVBQESA-N 1 0 280.284 -0.423 20 5 CBBDRO C[NH2+][C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC001118203542 812495189 /nfs/dbraw/zinc/49/51/89/812495189.db2.gz SEHMEWGKDPTYCC-SSDOTTSWSA-N 1 0 253.262 -0.238 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001118207372 812496419 /nfs/dbraw/zinc/49/64/19/812496419.db2.gz LDOMUIFDRYFIBE-QMMMGPOBSA-N 1 0 283.288 -0.564 20 5 CBBDRO CO[C@@H]1CN(c2nc(C)ncc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158705332 815544062 /nfs/dbraw/zinc/54/40/62/815544062.db2.gz IYMMTMLRMWWBQL-IONNQARKSA-N 1 0 253.262 -0.144 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](OC)[C@@H]([NH3+])C2)n1 ZINC001158712424 815544912 /nfs/dbraw/zinc/54/49/12/815544912.db2.gz JXJGDGIVPHRTNB-OIBJUYFYSA-N 1 0 296.283 -0.061 20 5 CBBDRO COc1nc(NC[C@H]2COCC[NH2+]2)nc(OC)c1[N+](=O)[O-] ZINC001159043615 815556238 /nfs/dbraw/zinc/55/62/38/815556238.db2.gz VQQGWVYKLOGYLH-ZETCQYMHSA-N 1 0 299.287 -0.198 20 5 CBBDRO CN(CC[NH3+])CCNc1ncc([N+](=O)[O-])cc1N ZINC001159437371 815573095 /nfs/dbraw/zinc/57/30/95/815573095.db2.gz KCRHCZWCNPREAW-UHFFFAOYSA-N 1 0 254.294 -0.126 20 5 CBBDRO COc1nc(NCCN(C)CC[NH3+])ncc1[N+](=O)[O-] ZINC001159432093 815573112 /nfs/dbraw/zinc/57/31/12/815573112.db2.gz PVJSZPFBKGQKTQ-UHFFFAOYSA-N 1 0 270.293 -0.304 20 5 CBBDRO Nc1nc(NCCOCCOCC[NH3+])ccc1[N+](=O)[O-] ZINC001159445104 815573740 /nfs/dbraw/zinc/57/37/40/815573740.db2.gz FHMSDXDTHPRXBT-UHFFFAOYSA-N 1 0 285.304 -0.024 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1NCCOCCOCC[NH3+] ZINC001159447020 815574829 /nfs/dbraw/zinc/57/48/29/815574829.db2.gz HMPGTWHRCZWVRD-UHFFFAOYSA-N 1 0 285.304 -0.024 20 5 CBBDRO Cc1nn(C)c(C(=O)NOC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001122022633 813106605 /nfs/dbraw/zinc/10/66/05/813106605.db2.gz MARDWWBFUBBSGF-RXMQYKEDSA-N 1 0 257.250 -0.355 20 5 CBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC1CCC1 ZINC001126932070 813694314 /nfs/dbraw/zinc/69/43/14/813694314.db2.gz HDKVCVCEKKTQSA-GHMZBOCLSA-N 1 0 298.343 -0.726 20 5 CBBDRO CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936675 813698045 /nfs/dbraw/zinc/69/80/45/813698045.db2.gz QGDDQZPVQOKNPX-NXEZZACHSA-N 1 0 286.332 -0.774 20 5 CBBDRO C[NH+]1CCC(CCO)(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001137991067 814598964 /nfs/dbraw/zinc/59/89/64/814598964.db2.gz QABJIVOCMHOJFX-UHFFFAOYSA-N 1 0 297.315 -0.106 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159672971 815585019 /nfs/dbraw/zinc/58/50/19/815585019.db2.gz UDZRRZFJSVJIGK-GMSGAONNSA-N 1 0 296.283 -0.231 20 5 CBBDRO COc1cnc(N[C@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001159675114 815586002 /nfs/dbraw/zinc/58/60/02/815586002.db2.gz CCDIRQPIIWKDMQ-APPZFPTMSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1cc(N[C@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159678854 815586516 /nfs/dbraw/zinc/58/65/16/815586516.db2.gz RFUUCTDDCDZNSP-SFYZADRCSA-N 1 0 268.273 -0.009 20 5 CBBDRO Nc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001159678629 815586674 /nfs/dbraw/zinc/58/66/74/815586674.db2.gz QODAWIXKWRFWJO-RQJHMYQMSA-N 1 0 253.262 -0.436 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159678980 815587329 /nfs/dbraw/zinc/58/73/29/815587329.db2.gz ANMUSUQFGATETO-IMTBSYHQSA-N 1 0 253.262 -0.436 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159677339 815587341 /nfs/dbraw/zinc/58/73/41/815587341.db2.gz KJFCSFJYLJTEPR-NKWVEPMBSA-N 1 0 288.691 -0.126 20 5 CBBDRO N=c1ncc(C[NH3+])cn1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001161414537 815752557 /nfs/dbraw/zinc/75/25/57/815752557.db2.gz AHPHHYUOQXJNDK-UHFFFAOYSA-N 1 0 262.229 -0.648 20 5 CBBDRO Cc1c[n+]([O-])c(N(CC[NH3+])S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001162124977 815803621 /nfs/dbraw/zinc/80/36/21/815803621.db2.gz SAKAFMQLGATJKK-UHFFFAOYSA-N 1 0 290.301 -0.739 20 5 CBBDRO NC(=O)C1(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC1 ZINC001162548119 815834297 /nfs/dbraw/zinc/83/42/97/815834297.db2.gz QQAAJOABMWTGHF-UHFFFAOYSA-N 1 0 278.272 -0.499 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)n1 ZINC001163137688 815861513 /nfs/dbraw/zinc/86/15/13/815861513.db2.gz RFSCSQUDTJTCFK-BWZBUEFSSA-N 1 0 281.272 -0.208 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163191952 815863868 /nfs/dbraw/zinc/86/38/68/815863868.db2.gz WAESGHZTLCEXMV-JMCQJSRRSA-N 1 0 293.283 -0.369 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])N1 ZINC001163236342 815867743 /nfs/dbraw/zinc/86/77/43/815867743.db2.gz HSYDONBMCHVBDU-HQJQHLMTSA-N 1 0 297.246 -0.643 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2c[n+]([O-])ccc2[N+](=O)[O-])N1 ZINC001163249691 815872725 /nfs/dbraw/zinc/87/27/25/815872725.db2.gz LFEKXZLNTSXRGL-GXSJLCMTSA-N 1 0 279.256 -0.782 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2c[n+]([O-])ccc2[N+](=O)[O-])N1 ZINC001163249694 815873179 /nfs/dbraw/zinc/87/31/79/815873179.db2.gz LFEKXZLNTSXRGL-MWLCHTKSSA-N 1 0 279.256 -0.782 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163253418 815874548 /nfs/dbraw/zinc/87/45/48/815874548.db2.gz ZFNVDKNRAAQFAK-BXKDBHETSA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163253420 815874745 /nfs/dbraw/zinc/87/47/45/815874745.db2.gz ZFNVDKNRAAQFAK-CABZTGNLSA-N 1 0 293.283 -0.012 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cnc([N+](=O)[O-])cn2)N1 ZINC001163255481 815876733 /nfs/dbraw/zinc/87/67/33/815876733.db2.gz YTSPSBKTKAYXFC-QUBYGPBYSA-N 1 0 264.245 -0.625 20 5 CBBDRO CN(C)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163567208 815889466 /nfs/dbraw/zinc/88/94/66/815889466.db2.gz NZSNOVKIFAQINR-UHFFFAOYSA-N 1 0 252.278 -0.140 20 5 CBBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001292965780 816492746 /nfs/dbraw/zinc/49/27/46/816492746.db2.gz GCRNJOYHMXEHIU-HBNTYKKESA-N 1 0 270.333 -0.596 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)n1 ZINC001302816160 816759518 /nfs/dbraw/zinc/75/95/18/816759518.db2.gz FZDFKFXWSCNXPV-GFCCVEGCSA-N 1 0 297.315 -0.533 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)n1 ZINC001304086513 816778557 /nfs/dbraw/zinc/77/85/57/816778557.db2.gz YFBKXQHQCITCET-QMMMGPOBSA-N 1 0 295.299 -0.469 20 5 CBBDRO O=C1OC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC001307976521 816816514 /nfs/dbraw/zinc/81/65/14/816816514.db2.gz DVCNJXCNFWGRHL-GDPRMGEGSA-N 1 0 296.283 -0.743 20 5 CBBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC001308047295 816817187 /nfs/dbraw/zinc/81/71/87/816817187.db2.gz WPGAWXOHUVWWJM-NSHDSACASA-N 1 0 294.311 -0.129 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001308162969 816822833 /nfs/dbraw/zinc/82/28/33/816822833.db2.gz JXDJHJKIPRSBDC-MNOVXSKESA-N 1 0 284.316 -0.286 20 5 CBBDRO COCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001317099451 816932115 /nfs/dbraw/zinc/93/21/15/816932115.db2.gz DURJBNQNEBBKQV-DTORHVGOSA-N 1 0 297.315 -0.289 20 5 CBBDRO CN(CC[NH2+]CCc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317585339 817022249 /nfs/dbraw/zinc/02/22/49/817022249.db2.gz PQRDTEINMCQIRU-VXGBXAGGSA-N 1 0 295.343 -0.324 20 5 CBBDRO Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC001317584648 817022401 /nfs/dbraw/zinc/02/24/01/817022401.db2.gz FGWYASOAKYYMLE-VXGBXAGGSA-N 1 0 293.327 -0.002 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001317997160 817061104 /nfs/dbraw/zinc/06/11/04/817061104.db2.gz SSIZHSYTGCGMIM-UWVGGRQHSA-N 1 0 294.315 -0.071 20 5 CBBDRO C[C@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC001318748145 817139299 /nfs/dbraw/zinc/13/92/99/817139299.db2.gz HNCKFAOSOPBTDH-IUCAKERBSA-N 1 0 282.304 -0.215 20 5 CBBDRO C[C@@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC001318748146 817139663 /nfs/dbraw/zinc/13/96/63/817139663.db2.gz HNCKFAOSOPBTDH-RKDXNWHRSA-N 1 0 282.304 -0.215 20 5 CBBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC001319616247 817225215 /nfs/dbraw/zinc/22/52/15/817225215.db2.gz OZTWYBLYUFXAKM-UHFFFAOYSA-N 1 0 297.315 -0.106 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1N(CC[NH3+])CCO ZINC001163827780 819853868 /nfs/dbraw/zinc/85/38/68/819853868.db2.gz NSAJXQRNANUXNM-UHFFFAOYSA-N 1 0 256.262 -0.244 20 5 CBBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N(CC[NH3+])CCO ZINC001163838825 819860353 /nfs/dbraw/zinc/86/03/53/819860353.db2.gz CMILTDVBEKPUMK-UHFFFAOYSA-N 1 0 284.272 -0.466 20 5 CBBDRO CCNC(=O)CN(C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163915856 819865675 /nfs/dbraw/zinc/86/56/75/819865675.db2.gz RYNITMXRWMLALM-UHFFFAOYSA-N 1 0 294.315 -0.356 20 5 CBBDRO NC(=O)c1ccnc(N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164280881 819897069 /nfs/dbraw/zinc/89/70/69/819897069.db2.gz KTBNTQVARVCFED-ZCFIWIBFSA-N 1 0 251.246 -0.374 20 5 CBBDRO COc1ccc(N(C)S(=O)(=O)CC[NH3+])nc1[N+](=O)[O-] ZINC001164286872 819898142 /nfs/dbraw/zinc/89/81/42/819898142.db2.gz CXZRQVJDUXWMSB-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO CN(c1ccc2ncc([N+](=O)[O-])n2c1)S(=O)(=O)CC[NH3+] ZINC001164296807 819903463 /nfs/dbraw/zinc/90/34/63/819903463.db2.gz QHNSHMYMUKKZIO-UHFFFAOYSA-N 1 0 299.312 -0.033 20 5 CBBDRO CN(c1cc([N+](=O)[O-])c(=O)n(C)c1)S(=O)(=O)CC[NH3+] ZINC001164296718 819904401 /nfs/dbraw/zinc/90/44/01/819904401.db2.gz MTUSNWLINJRKJA-UHFFFAOYSA-N 1 0 290.301 -0.982 20 5 CBBDRO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490709 819916467 /nfs/dbraw/zinc/91/64/67/819916467.db2.gz SRZXMGVSJVUWNG-NXEZZACHSA-N 1 0 298.343 -0.726 20 5 CBBDRO O=[N+]([O-])c1cnc(N2CCOC[C@@H](O)C2)nc1C1C[NH2+]C1 ZINC001164518286 819919681 /nfs/dbraw/zinc/91/96/81/819919681.db2.gz JOZMGVULTFMPPT-VIFPVBQESA-N 1 0 295.299 -0.731 20 5 CBBDRO O=C1NCCN(c2cc([N+](=O)[O-])cc(Cl)n2)C12C[NH2+]C2 ZINC001165297565 819951498 /nfs/dbraw/zinc/95/14/98/819951498.db2.gz GXCIVFYKZKSGJT-UHFFFAOYSA-N 1 0 297.702 -0.079 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001165443552 819965523 /nfs/dbraw/zinc/96/55/23/819965523.db2.gz YGYFZMAGTFVIFE-VIFPVBQESA-N 1 0 281.272 -0.356 20 5 CBBDRO NC(=O)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001165614604 819976557 /nfs/dbraw/zinc/97/65/57/819976557.db2.gz XHYKYUUGJVCUHN-UHFFFAOYSA-N 1 0 280.284 -0.324 20 5 CBBDRO O=[N+]([O-])c1cnc(N2CC[C@H](CO)C2)nc1C1C[NH2+]C1 ZINC001166550331 820002370 /nfs/dbraw/zinc/00/23/70/820002370.db2.gz DKJWGFUIXKVNNW-QMMMGPOBSA-N 1 0 279.300 -0.110 20 5 CBBDRO C[C@@H]1C(=O)NCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166562418 820004347 /nfs/dbraw/zinc/00/43/47/820004347.db2.gz SGRPEDUOONWJOV-SSDOTTSWSA-N 1 0 292.299 -0.604 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(C)ncc1[N+](=O)[O-] ZINC001166964045 820053356 /nfs/dbraw/zinc/05/33/56/820053356.db2.gz WYPOUVMRINXHDC-SFYZADRCSA-N 1 0 281.272 -0.228 20 5 CBBDRO Cc1nc(Cl)nc(N2C[C@@H](O)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001167089334 820068502 /nfs/dbraw/zinc/06/85/02/820068502.db2.gz DCZLWEWXVDAGQX-NTSWFWBYSA-N 1 0 273.680 -0.145 20 5 CBBDRO COC(=O)c1ccnc(N2C[C@@H](O)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001167088989 820068986 /nfs/dbraw/zinc/06/89/86/820068986.db2.gz LSQFZSIYBILGMN-JGVFFNPUSA-N 1 0 282.256 -0.715 20 5 CBBDRO COc1nc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])ncc1[N+](=O)[O-] ZINC001167183894 820072688 /nfs/dbraw/zinc/07/26/88/820072688.db2.gz HSMRWIRVQDZILZ-JWHQNHQBSA-N 1 0 295.299 -0.197 20 5 CBBDRO Cc1ncc(C[NH3+])c(=N)n1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001167673569 820109788 /nfs/dbraw/zinc/10/97/88/820109788.db2.gz BXLIKVCZUWAEFZ-UHFFFAOYSA-N 1 0 276.256 -0.340 20 5 CBBDRO C[NH+]1CCN(C(=N)Nc2nccnc2[N+](=O)[O-])CC1 ZINC001168736144 820170272 /nfs/dbraw/zinc/17/02/72/820170272.db2.gz KQWBAKQDQOIEHZ-UHFFFAOYSA-N 1 0 265.277 -0.021 20 5 CBBDRO C[NH+]1CCN(C(=N)Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC001168737330 820172189 /nfs/dbraw/zinc/17/21/89/820172189.db2.gz ZKVUXGLNNDEMIQ-UHFFFAOYSA-N 1 0 265.277 -0.021 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965020 820197586 /nfs/dbraw/zinc/19/75/86/820197586.db2.gz XHUYFGVQBPLPNN-RKDXNWHRSA-N 1 0 265.335 -0.348 20 5 CBBDRO COc1ccc([N+](=O)[O-])c(-n2nnnc2C[NH3+])n1 ZINC001168918220 820189599 /nfs/dbraw/zinc/18/95/99/820189599.db2.gz RXGMWXXMFNRPNW-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001168918264 820189734 /nfs/dbraw/zinc/18/97/34/820189734.db2.gz TUMRLGGVVIGMBW-UHFFFAOYSA-N 1 0 256.613 -0.527 20 5 CBBDRO [NH3+]Cc1nnnn1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001168923201 820193595 /nfs/dbraw/zinc/19/35/95/820193595.db2.gz GYZNLCNZZSIKGG-UHFFFAOYSA-N 1 0 260.217 -0.323 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965017 820197354 /nfs/dbraw/zinc/19/73/54/820197354.db2.gz XHUYFGVQBPLPNN-BDAKNGLRSA-N 1 0 265.335 -0.348 20 5 CBBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001168972594 820197603 /nfs/dbraw/zinc/19/76/03/820197603.db2.gz NLIUTLADEPGGNH-ZKSVUJDCSA-N 1 0 274.317 -0.876 20 5 CBBDRO O=C1CO[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1 ZINC001168977034 820199082 /nfs/dbraw/zinc/19/90/82/820199082.db2.gz HDVYWOXJBNXOON-KXUCPTDWSA-N 1 0 257.290 -0.464 20 5 CBBDRO Cc1nc(CC[NH3+])nn1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001168986057 820199253 /nfs/dbraw/zinc/19/92/53/820199253.db2.gz MHGKHNGYUWZHIZ-UHFFFAOYSA-N 1 0 278.272 -0.316 20 5 CBBDRO C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169001018 820200776 /nfs/dbraw/zinc/20/07/76/820200776.db2.gz CHPYFXYPZWTCPC-QEYWKRMJSA-N 1 0 286.332 -0.600 20 5 CBBDRO NC(=O)CN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040050 820201359 /nfs/dbraw/zinc/20/13/59/820201359.db2.gz XGMDEPUWLZVMHB-GHMZBOCLSA-N 1 0 270.333 -0.465 20 5 CBBDRO CN1CCN(C2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1=O ZINC001169036913 820201476 /nfs/dbraw/zinc/20/14/76/820201476.db2.gz QUMGFOFJHIGWBC-NWDGAFQWSA-N 1 0 296.371 -0.110 20 5 CBBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ncc([N+](=O)[O-])cn1 ZINC001169067767 820203691 /nfs/dbraw/zinc/20/36/91/820203691.db2.gz XUGSDUOGZBAGQX-SSDOTTSWSA-N 1 0 264.245 -0.567 20 5 CBBDRO COc1nc(-n2nncc2C[NH3+])nc(C)c1[N+](=O)[O-] ZINC001169307742 820225682 /nfs/dbraw/zinc/22/56/82/820225682.db2.gz CDWGYZMCKMQEQB-UHFFFAOYSA-N 1 0 265.233 -0.259 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2nncc2C[NH3+])n1 ZINC001169309133 820226368 /nfs/dbraw/zinc/22/63/68/820226368.db2.gz ZWOLKRQXCJIHPU-UHFFFAOYSA-N 1 0 278.228 -0.184 20 5 CBBDRO NC(=O)c1ccnc(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001170042642 820275893 /nfs/dbraw/zinc/27/58/93/820275893.db2.gz RHUCPIOSFXLZRI-ZETCQYMHSA-N 1 0 281.272 -0.511 20 5 CBBDRO Cn1cc(NC[C@@H]2COCC[NH2+]2)cc([N+](=O)[O-])c1=O ZINC001170044206 820276245 /nfs/dbraw/zinc/27/62/45/820276245.db2.gz LIUZYMWMXUXBOJ-SECBINFHSA-N 1 0 268.273 -0.306 20 5 CBBDRO [NH3+]CCOCCOCCNc1cnc([N+](=O)[O-])cn1 ZINC001170510976 820297823 /nfs/dbraw/zinc/29/78/23/820297823.db2.gz JKTFBZGSWNXIGZ-UHFFFAOYSA-N 1 0 271.277 -0.211 20 5 CBBDRO NC(=O)c1ccnc(N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170774876 820317377 /nfs/dbraw/zinc/31/73/77/820317377.db2.gz CIWSBNBTJUSLLY-XPUUQOCRSA-N 1 0 281.272 -0.919 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170773713 820317858 /nfs/dbraw/zinc/31/78/58/820317858.db2.gz PKSQFGFCNWDXED-CBAPKCEASA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1ccnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170773781 820317895 /nfs/dbraw/zinc/31/78/95/820317895.db2.gz QOYRSUMOHGYZCP-HTQZYQBOSA-N 1 0 268.273 -0.009 20 5 CBBDRO Nc1ccnc(N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170780498 820322437 /nfs/dbraw/zinc/32/24/37/820322437.db2.gz UIIUQKWHVXHRID-SVRRBLITSA-N 1 0 253.262 -0.436 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170782272 820324479 /nfs/dbraw/zinc/32/44/79/820324479.db2.gz UPBLADGIBVEVOP-GMSGAONNSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170783714 820324702 /nfs/dbraw/zinc/32/47/02/820324702.db2.gz ZZIQGXPUKLMTSP-SFYZADRCSA-N 1 0 268.273 -0.009 20 5 CBBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170788901 820324729 /nfs/dbraw/zinc/32/47/29/820324729.db2.gz LDWZZCBMDVBNQX-GMSGAONNSA-N 1 0 292.295 -0.170 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170783713 820325682 /nfs/dbraw/zinc/32/56/82/820325682.db2.gz ZZIQGXPUKLMTSP-JGVFFNPUSA-N 1 0 268.273 -0.009 20 5 CBBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170790063 820326151 /nfs/dbraw/zinc/32/61/51/820326151.db2.gz USNVEUYGVNWIQV-OIBJUYFYSA-N 1 0 296.283 -0.231 20 5 CBBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170790165 820326272 /nfs/dbraw/zinc/32/62/72/820326272.db2.gz USNVEUYGVNWIQV-XVKPBYJWSA-N 1 0 296.283 -0.231 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1nccc(N)c1[N+](=O)[O-] ZINC001170994167 820342560 /nfs/dbraw/zinc/34/25/60/820342560.db2.gz LCPCVKDDBMAJSW-UHFFFAOYSA-N 1 0 283.288 -0.100 20 5 CBBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)C(N)=O ZINC001173234930 820400927 /nfs/dbraw/zinc/40/09/27/820400927.db2.gz QZYHSVWHMYHKMW-LDYMZIIASA-N 1 0 267.285 -0.038 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC001175127333 820423275 /nfs/dbraw/zinc/42/32/75/820423275.db2.gz FSEKSUIXAAEPGU-LBPRGKRZSA-N 1 0 297.315 -0.684 20 5 CBBDRO C[N@H+](CCO)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001187593661 822283363 /nfs/dbraw/zinc/28/33/63/822283363.db2.gz NFLMKWQRIISZMK-UHFFFAOYSA-N 1 0 256.266 -0.697 20 5 CBBDRO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200462104 824319835 /nfs/dbraw/zinc/31/98/35/824319835.db2.gz SVUFYJFXAQGRPF-GHMZBOCLSA-N 1 0 298.343 -0.632 20 5 CBBDRO Cn1ccnc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222938072 825222865 /nfs/dbraw/zinc/22/28/65/825222865.db2.gz BOTUUWBZQGIVHB-SNVBAGLBSA-N 1 0 256.326 -0.080 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cncnc1 ZINC001223219576 825229172 /nfs/dbraw/zinc/22/91/72/825229172.db2.gz RSGHFNUWGHHNAA-LLVKDONJSA-N 1 0 254.310 -0.023 20 5 CBBDRO CC(=O)N1CC[C@H](COC(=O)C[C@@H](O)C[N+](C)(C)C)C1 ZINC001225008515 825252027 /nfs/dbraw/zinc/25/20/27/825252027.db2.gz RUPLNLWXXZUSEJ-QWHCGFSZSA-N 1 0 287.380 -0.145 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2n[nH]cc21 ZINC001225561520 825259045 /nfs/dbraw/zinc/25/90/45/825259045.db2.gz DYAYNOSBAQNTAW-MRVPVSSYSA-N 1 0 280.308 -0.285 20 5 CBBDRO CC(=O)Nc1ccnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001228445752 825317727 /nfs/dbraw/zinc/31/77/27/825317727.db2.gz POJQYAPQCWTORD-SNVBAGLBSA-O 1 0 297.335 -0.202 20 5 CBBDRO COC(=O)c1cnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc1 ZINC001228773453 825321902 /nfs/dbraw/zinc/32/19/02/825321902.db2.gz LUADFEFDSRVURM-SNVBAGLBSA-N 1 0 298.319 -0.374 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccnc1C(N)=O ZINC001229318192 825330086 /nfs/dbraw/zinc/33/00/86/825330086.db2.gz UEKMGUPKEVOZJE-SECBINFHSA-O 1 0 282.320 -0.457 20 5 CBBDRO NC(=O)[C@@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579568 825967594 /nfs/dbraw/zinc/96/75/94/825967594.db2.gz SXUXPYNWMQAHTO-GXSJLCMTSA-N 1 0 265.269 -0.502 20 5 CBBDRO [NH3+]CCS(=O)(=O)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572569 825967625 /nfs/dbraw/zinc/96/76/25/825967625.db2.gz QCUHDLIVPNMRHU-SNVBAGLBSA-N 1 0 285.325 -0.060 20 5 CBBDRO NC(=O)[C@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579569 825967666 /nfs/dbraw/zinc/96/76/66/825967666.db2.gz SXUXPYNWMQAHTO-KOLCDFICSA-N 1 0 265.269 -0.502 20 5 CBBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1[nH]ncc1[N+](=O)[O-] ZINC001261473173 826519885 /nfs/dbraw/zinc/51/98/85/826519885.db2.gz DPUJXJPJJJDUNM-ZETCQYMHSA-N 1 0 269.261 -0.574 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001261492166 826524467 /nfs/dbraw/zinc/52/44/67/826524467.db2.gz SQKJFHHVHARPKG-RKDXNWHRSA-N 1 0 282.304 -0.228 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001261492163 826524814 /nfs/dbraw/zinc/52/48/14/826524814.db2.gz SQKJFHHVHARPKG-BDAKNGLRSA-N 1 0 282.304 -0.228 20 5 CBBDRO C[C@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]1 ZINC001261494992 826525470 /nfs/dbraw/zinc/52/54/70/826525470.db2.gz MUZGEULUIKTVGE-YUMQZZPRSA-N 1 0 268.277 -0.557 20 5 CBBDRO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001263832279 826782116 /nfs/dbraw/zinc/78/21/16/826782116.db2.gz NXNVCEGDJNYTBB-LMLFDSFASA-N 1 0 298.343 -0.728 20 5 CBBDRO CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268792352 827424060 /nfs/dbraw/zinc/42/40/60/827424060.db2.gz YJTVPVLTSXPSJE-GHMZBOCLSA-N 1 0 298.343 -0.632 20 5 CBBDRO CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001277494048 828190256 /nfs/dbraw/zinc/19/02/56/828190256.db2.gz NPQCMEHBQFYLDE-NXEZZACHSA-N 1 0 259.306 -0.264 20 5 CBBDRO C[C@@H]1C[NH2+]CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001334337803 887924985 /nfs/dbraw/zinc/92/49/85/887924985.db2.gz LKLQTMOIKKCTTR-MWLCHTKSSA-N 1 0 269.305 -0.554 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCCO1 ZINC001326166496 884930495 /nfs/dbraw/zinc/93/04/95/884930495.db2.gz OHWSNOOYNSJXEY-ZETCQYMHSA-N 1 0 269.261 -0.492 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001326170118 884931531 /nfs/dbraw/zinc/93/15/31/884931531.db2.gz UUMXTKYKMRDNME-SNVBAGLBSA-N 1 0 297.315 -0.406 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCCO1 ZINC001326166495 884932572 /nfs/dbraw/zinc/93/25/72/884932572.db2.gz OHWSNOOYNSJXEY-SSDOTTSWSA-N 1 0 269.261 -0.492 20 5 CBBDRO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001326274937 884964517 /nfs/dbraw/zinc/96/45/17/884964517.db2.gz DVRRVWOIEQQPQG-SECBINFHSA-N 1 0 280.284 -0.423 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCC[NH3+] ZINC001326289325 884971250 /nfs/dbraw/zinc/97/12/50/884971250.db2.gz RLMINRQZBOHBNC-UHFFFAOYSA-N 1 0 255.278 -0.045 20 5 CBBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001326770225 885139313 /nfs/dbraw/zinc/13/93/13/885139313.db2.gz BJEUVZFURITKET-DTORHVGOSA-N 1 0 282.304 -0.357 20 5 CBBDRO Cc1n[nH]c(C(=O)NC[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001326936239 885197922 /nfs/dbraw/zinc/19/79/22/885197922.db2.gz GDBHWVPAUTWETD-SSDOTTSWSA-N 1 0 269.261 -0.655 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001327121719 885266902 /nfs/dbraw/zinc/26/69/02/885266902.db2.gz PJDNWJMYFRLUHG-NSHDSACASA-N 1 0 280.288 -0.602 20 5 CBBDRO C[C@]1(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001327592394 885421004 /nfs/dbraw/zinc/42/10/04/885421004.db2.gz KMDSMNHLBWKARJ-LBPRGKRZSA-N 1 0 280.284 -0.375 20 5 CBBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC001327889290 885513808 /nfs/dbraw/zinc/51/38/08/885513808.db2.gz QBVJZYZJDAHUIQ-QMMMGPOBSA-N 1 0 285.304 -0.409 20 5 CBBDRO Cc1c(C[NH3+])c(NC(=O)Cn2cc([N+](=O)[O-])cn2)nn1C ZINC001328456027 885694077 /nfs/dbraw/zinc/69/40/77/885694077.db2.gz UCMGHWCRTJUPJM-UHFFFAOYSA-N 1 0 293.287 -0.069 20 5 CBBDRO C[C@@H]([NH3+])C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001328479032 885701631 /nfs/dbraw/zinc/70/16/31/885701631.db2.gz UYEXJWZDIRHTHM-MRVPVSSYSA-N 1 0 282.304 -0.228 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[NH2+]C1CC1 ZINC001329298524 886003881 /nfs/dbraw/zinc/00/38/81/886003881.db2.gz HYUVPFDATHFCEG-UHFFFAOYSA-N 1 0 253.262 -0.190 20 5 CBBDRO CNC(=O)[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001329426495 886063008 /nfs/dbraw/zinc/06/30/08/886063008.db2.gz FCVKEUXMLHPVTD-QWRGUYRKSA-N 1 0 283.284 -0.675 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC001329483116 886090270 /nfs/dbraw/zinc/09/02/70/886090270.db2.gz JIDJDDCNDJNLRG-YUMQZZPRSA-N 1 0 268.277 -0.618 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001329567462 886124604 /nfs/dbraw/zinc/12/46/04/886124604.db2.gz IOOZMQJXDKPLNT-SSDOTTSWSA-N 1 0 269.261 -0.886 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[NH2+]C1 ZINC001331942944 887053849 /nfs/dbraw/zinc/05/38/49/887053849.db2.gz JJAVQTYGUNQPMT-ZETCQYMHSA-N 1 0 254.250 -0.993 20 5 CBBDRO CC(C)(CCC[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001331949054 887058119 /nfs/dbraw/zinc/05/81/19/887058119.db2.gz IKNVQVDEHZLOMF-UHFFFAOYSA-N 1 0 270.293 -0.180 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([NH+]2CCC2)CC1 ZINC001332213826 887156153 /nfs/dbraw/zinc/15/61/53/887156153.db2.gz XEYZAINQEHVWRK-UHFFFAOYSA-N 1 0 294.315 -0.117 20 5 CBBDRO [NH3+]CCC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001332721989 887417606 /nfs/dbraw/zinc/41/76/06/887417606.db2.gz AXILWMBSTYKFOL-UHFFFAOYSA-N 1 0 282.304 -0.226 20 5 CBBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](CO)C1 ZINC001333037355 887509517 /nfs/dbraw/zinc/50/95/17/887509517.db2.gz DVUPXRHSSSKBAG-NSHDSACASA-N 1 0 269.305 -0.600 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]([NH+]2CCC2)C1 ZINC001333409693 887628281 /nfs/dbraw/zinc/62/82/81/887628281.db2.gz NAXZGIVAXMGENK-VIFPVBQESA-N 1 0 280.288 -0.507 20 5 CBBDRO CC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001338205066 889125917 /nfs/dbraw/zinc/12/59/17/889125917.db2.gz DQABQMSNTDBTIN-UHFFFAOYSA-N 1 0 254.294 -0.266 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015690 889365658 /nfs/dbraw/zinc/36/56/58/889365658.db2.gz FBYNRPMZSNOYTI-IUCAKERBSA-N 1 0 295.299 -0.089 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCNCC[NH2+]CC1 ZINC001340491528 889438621 /nfs/dbraw/zinc/43/86/21/889438621.db2.gz NYQXJQTVPZFRNL-UHFFFAOYSA-N 1 0 281.316 -0.432 20 5 CBBDRO O=C1NC[C@@H](O)CC12CC[NH+](CC[N+](=O)[O-])CC2 ZINC001342066048 889705938 /nfs/dbraw/zinc/70/59/38/889705938.db2.gz CRZAJSUXNZWCIN-VIFPVBQESA-N 1 0 257.290 -0.774 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001345993230 890192954 /nfs/dbraw/zinc/19/29/54/890192954.db2.gz OFNMEFDRSLMNIH-BDAKNGLRSA-N 1 0 280.288 -0.461 20 5 CBBDRO [NH3+]CC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F ZINC001348944720 890730674 /nfs/dbraw/zinc/73/06/74/890730674.db2.gz VFJPEUIEMGIYPK-RXMQYKEDSA-N 1 0 296.209 -0.418 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001348964916 890736387 /nfs/dbraw/zinc/73/63/87/890736387.db2.gz HQTJCTQGZKKNDD-FXPVBKGRSA-N 1 0 257.290 -0.823 20 5 CBBDRO CC[NH2+]CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001349153153 890768667 /nfs/dbraw/zinc/76/86/67/890768667.db2.gz NDOIWZSLKAWKDJ-UHFFFAOYSA-N 1 0 255.278 -0.024 20 5 CBBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CC[NH2+]C1 ZINC001349152280 890768901 /nfs/dbraw/zinc/76/89/01/890768901.db2.gz IGRUJLUATREIHG-ZETCQYMHSA-N 1 0 253.262 -0.238 20 5 CBBDRO C[C@H](CCCC[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001349417966 890810523 /nfs/dbraw/zinc/81/05/23/890810523.db2.gz LARFHLZEZSQOAM-MRVPVSSYSA-N 1 0 270.293 -0.180 20 5 CBBDRO C[NH2+]CCN(C)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001357443615 891893041 /nfs/dbraw/zinc/89/30/41/891893041.db2.gz KBEFYGNIWGEXDL-UHFFFAOYSA-N 1 0 255.278 -0.222 20 5 CBBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1CO ZINC001358026001 891958378 /nfs/dbraw/zinc/95/83/78/891958378.db2.gz CCMHSLSLMRYHGO-GFCCVEGCSA-N 1 0 279.296 -0.070 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC001458087239 914624987 /nfs/dbraw/zinc/62/49/87/914624987.db2.gz SLBHYUQKTPRFGL-UHFFFAOYSA-N 1 0 296.331 -0.462 20 5 CBBDRO Cn1cc(C[NH2+]C2(CO)CCOCC2)c([N+](=O)[O-])n1 ZINC001459422465 914727972 /nfs/dbraw/zinc/72/79/72/914727972.db2.gz AUIXKYPCIFQJIA-UHFFFAOYSA-N 1 0 270.289 -0.041 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001467376748 915208793 /nfs/dbraw/zinc/20/87/93/915208793.db2.gz STXLEKJPVHQFHS-UHFFFAOYSA-N 1 0 299.331 -0.470 20 5 CBBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840886 915647074 /nfs/dbraw/zinc/64/70/74/915647074.db2.gz KSJLKKYAMLQOCF-HTQZYQBOSA-N 1 0 280.288 -0.355 20 5 CBBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840893 915647332 /nfs/dbraw/zinc/64/73/32/915647332.db2.gz KSJLKKYAMLQOCF-YUMQZZPRSA-N 1 0 280.288 -0.355 20 5 CBBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840888 915648967 /nfs/dbraw/zinc/64/89/67/915648967.db2.gz KSJLKKYAMLQOCF-JGVFFNPUSA-N 1 0 280.288 -0.355 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472083587 915691995 /nfs/dbraw/zinc/69/19/95/915691995.db2.gz ODHJUHFIHIUZNK-SZEHBUNVSA-N 1 0 255.274 -0.759 20 5 CBBDRO CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001484634457 917903091 /nfs/dbraw/zinc/90/30/91/917903091.db2.gz MXGVTUAGQLLYKI-RKDXNWHRSA-N 1 0 284.316 -0.974 20 5 CBBDRO C[NH2+][C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000269133902 190470191 /nfs/dbraw/zinc/47/01/91/190470191.db2.gz PMFNBKGYUDHGAP-SECBINFHSA-N 1 0 280.284 -0.423 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337457353 214092405 /nfs/dbraw/zinc/09/24/05/214092405.db2.gz NQSWPRKNMOUYBC-LBPRGKRZSA-N 1 0 299.331 -0.471 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2CO)c1 ZINC000266561544 230192868 /nfs/dbraw/zinc/19/28/68/230192868.db2.gz XSIBUVVPAZYNGT-ONGXEEELSA-N 1 0 270.289 -0.391 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000573372575 334932360 /nfs/dbraw/zinc/93/23/60/334932360.db2.gz SKIDVBJCAZTFIF-MRVPVSSYSA-N 1 0 289.242 -0.095 20 5 CBBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000125805600 187200649 /nfs/dbraw/zinc/20/06/49/187200649.db2.gz ZREOMDWUXUITTI-UHFFFAOYSA-N 1 0 293.327 -0.067 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351825064 219217464 /nfs/dbraw/zinc/21/74/64/219217464.db2.gz GEPLPEUTNHKZGH-MIMYLULJSA-N 1 0 270.289 -0.535 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000351829759 219219870 /nfs/dbraw/zinc/21/98/70/219219870.db2.gz OUCPNSDKJRVRLX-DTWKUNHWSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(CO)CO ZINC000090552790 180002258 /nfs/dbraw/zinc/00/22/58/180002258.db2.gz AWLRJMYPCHSPGI-UHFFFAOYSA-N 1 0 299.327 -0.321 20 5 CBBDRO CC(C)[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000092394799 180376543 /nfs/dbraw/zinc/37/65/43/180376543.db2.gz XTQCMHIDUSYWPG-QWRGUYRKSA-N 1 0 272.305 -0.241 20 5 CBBDRO CC[N@H+](C[C@@H](C)O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352233368 219376403 /nfs/dbraw/zinc/37/64/03/219376403.db2.gz YDVRWVYYOVPLSP-MWLCHTKSSA-N 1 0 272.305 -0.145 20 5 CBBDRO [NH3+]CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000002599511 351309987 /nfs/dbraw/zinc/30/99/87/351309987.db2.gz UIKQTHWTYLJSTN-UHFFFAOYSA-N 1 0 292.295 -0.162 20 5 CBBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC000045107362 351448874 /nfs/dbraw/zinc/44/88/74/351448874.db2.gz PQWHHYUQFNBSSM-GXSJLCMTSA-N 1 0 271.321 -0.308 20 5 CBBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N(C)C ZINC000049098037 351485653 /nfs/dbraw/zinc/48/56/53/351485653.db2.gz XFIBXYMKNIVVIT-WPRPVWTQSA-N 1 0 285.304 -0.782 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCn2ccnc2)c1 ZINC000049076860 351485737 /nfs/dbraw/zinc/48/57/37/351485737.db2.gz SSIYMKOQVORSCR-LLVKDONJSA-N 1 0 280.288 -0.362 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943228 351523971 /nfs/dbraw/zinc/52/39/71/351523971.db2.gz GCJQPXXRAZSKER-UHFFFAOYSA-N 1 0 266.257 -0.714 20 5 CBBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000071149490 351643250 /nfs/dbraw/zinc/64/32/50/351643250.db2.gz IWXBPVKZNSITEO-UHFFFAOYSA-N 1 0 281.316 -0.100 20 5 CBBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)CO)cc1 ZINC000095082617 351767309 /nfs/dbraw/zinc/76/73/09/351767309.db2.gz DOASXPUDFCLNMD-GHMZBOCLSA-N 1 0 256.258 -0.429 20 5 CBBDRO Cn1c(C(=O)N2CCN(C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124292496 351855348 /nfs/dbraw/zinc/85/53/48/351855348.db2.gz WUPMWRWTDSUVJH-SECBINFHSA-N 1 0 281.316 -0.352 20 5 CBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])o1 ZINC000134257588 351904414 /nfs/dbraw/zinc/90/44/14/351904414.db2.gz QMYAQZUYQNFIHF-ZETCQYMHSA-N 1 0 255.230 -0.094 20 5 CBBDRO CNC(=O)CCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000155337208 351950094 /nfs/dbraw/zinc/95/00/94/351950094.db2.gz CJNOIQVWKTUQSC-NSHDSACASA-N 1 0 299.331 -0.390 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000165592624 351985271 /nfs/dbraw/zinc/98/52/71/351985271.db2.gz FDMWFXRDBCJXLE-SECBINFHSA-N 1 0 268.273 -0.267 20 5 CBBDRO CC[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174646091 352049202 /nfs/dbraw/zinc/04/92/02/352049202.db2.gz SGSIOASESQLBHR-GFCCVEGCSA-N 1 0 283.332 -0.210 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000174649562 352049763 /nfs/dbraw/zinc/04/97/63/352049763.db2.gz IOBVTAHBCCELMF-WDEREUQCSA-N 1 0 270.289 -0.391 20 5 CBBDRO C[C@@H]1C(=O)NCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176226880 352063505 /nfs/dbraw/zinc/06/35/05/352063505.db2.gz OTACUKUIZGMBNV-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000186820312 352132379 /nfs/dbraw/zinc/13/23/79/352132379.db2.gz BUCRDJPIUVKGFK-IUCAKERBSA-N 1 0 267.289 -0.095 20 5 CBBDRO [NH3+][C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178323257 352078108 /nfs/dbraw/zinc/07/81/08/352078108.db2.gz GEINCBOFPVVOOY-QMMMGPOBSA-N 1 0 253.262 -0.259 20 5 CBBDRO NC(=O)C1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000183845640 352109732 /nfs/dbraw/zinc/10/97/32/352109732.db2.gz VRJGEKQYLJBPHL-VIFPVBQESA-N 1 0 295.295 -0.058 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195248661 352223467 /nfs/dbraw/zinc/22/34/67/352223467.db2.gz OXFSNPDWQQJDHL-DTORHVGOSA-N 1 0 265.273 -0.531 20 5 CBBDRO CC(C)NC(=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228361412 352262264 /nfs/dbraw/zinc/26/22/64/352262264.db2.gz ZFHYEKRBPSIYEQ-NSHDSACASA-N 1 0 299.331 -0.344 20 5 CBBDRO O=C(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000228812138 352265116 /nfs/dbraw/zinc/26/51/16/352265116.db2.gz NKZRDQODZJRENL-NSHDSACASA-N 1 0 297.315 -0.636 20 5 CBBDRO CNC(=O)C(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000230396129 352273666 /nfs/dbraw/zinc/27/36/66/352273666.db2.gz DQFLBSRNRQGPAP-SNVBAGLBSA-N 1 0 299.331 -0.486 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000236532333 352290208 /nfs/dbraw/zinc/29/02/08/352290208.db2.gz NMUANVMADOYGAB-JGVFFNPUSA-N 1 0 298.221 -0.335 20 5 CBBDRO CC(C)([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000236610375 352291130 /nfs/dbraw/zinc/29/11/30/352291130.db2.gz YSCBKOCNDJHNIE-UHFFFAOYSA-N 1 0 268.273 -0.390 20 5 CBBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238000172 352312705 /nfs/dbraw/zinc/31/27/05/352312705.db2.gz BKHUZGBWWUCNBF-MWLCHTKSSA-N 1 0 294.311 -0.154 20 5 CBBDRO C[C@]1(O)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245880906 352325117 /nfs/dbraw/zinc/32/51/17/352325117.db2.gz ICPORKCTRWXGMI-NEPJUHHUSA-N 1 0 284.316 -0.001 20 5 CBBDRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246234348 352330252 /nfs/dbraw/zinc/33/02/52/352330252.db2.gz QQBJQCRHYZULCL-GXSJLCMTSA-N 1 0 299.331 -0.534 20 5 CBBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261924174 352400830 /nfs/dbraw/zinc/40/08/30/352400830.db2.gz ZZKIMBQMYTWOOI-RKDXNWHRSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262110494 352406733 /nfs/dbraw/zinc/40/67/33/352406733.db2.gz ZZWFODCPXIXAMR-VHSXEESVSA-N 1 0 294.311 -0.048 20 5 CBBDRO CC[C@@H](CO)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000266194093 352447546 /nfs/dbraw/zinc/44/75/46/352447546.db2.gz HHTRJDCWBXAQQS-VIFPVBQESA-N 1 0 296.331 -0.140 20 5 CBBDRO Cc1n[nH]c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000280043812 352589494 /nfs/dbraw/zinc/58/94/94/352589494.db2.gz QXMHYJNZJGKUEB-OCAPTIKFSA-N 1 0 265.273 -0.082 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000304380525 352746373 /nfs/dbraw/zinc/74/63/73/352746373.db2.gz YFEHPDRWCVORFL-CMPLNLGQSA-N 1 0 284.316 -0.144 20 5 CBBDRO C[N@@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000330519479 352839011 /nfs/dbraw/zinc/83/90/11/352839011.db2.gz PISRZJGOVZNMPD-SSDOTTSWSA-N 1 0 253.262 -0.001 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 ZINC000292270524 198225499 /nfs/dbraw/zinc/22/54/99/198225499.db2.gz ZPAZPEYWTHOYGT-LLVKDONJSA-N 1 0 284.316 -0.001 20 5 CBBDRO CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[NH2+]1 ZINC000175435901 137635442 /nfs/dbraw/zinc/63/54/42/137635442.db2.gz ULFLFCLJIQMFOU-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000155010795 188175799 /nfs/dbraw/zinc/17/57/99/188175799.db2.gz YIIYDRNPVXPTFP-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[C@@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCC[N@@H+]1C ZINC000343565595 353279473 /nfs/dbraw/zinc/27/94/73/353279473.db2.gz RUSZWJHHLGXTAD-RKDXNWHRSA-N 1 0 282.304 -0.215 20 5 CBBDRO O=C(NCCNc1cc[nH+]cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000343199828 353259413 /nfs/dbraw/zinc/25/94/13/353259413.db2.gz HKRUPVSOQXCPHB-UHFFFAOYSA-N 1 0 276.256 -0.023 20 5 CBBDRO C[NH+](C)C1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000158374851 188372607 /nfs/dbraw/zinc/37/26/07/188372607.db2.gz QAXHHVJPROQZRS-UHFFFAOYSA-N 1 0 267.289 -0.046 20 5 CBBDRO CN(C)C(=O)NCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000348917359 353440781 /nfs/dbraw/zinc/44/07/81/353440781.db2.gz HMKDYJALGXFPKA-UHFFFAOYSA-N 1 0 284.320 -0.006 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352495764 353487886 /nfs/dbraw/zinc/48/78/86/353487886.db2.gz ONMSLSOQNNICLO-LLVKDONJSA-N 1 0 294.359 -0.192 20 5 CBBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354006708 353537643 /nfs/dbraw/zinc/53/76/43/353537643.db2.gz NCTFHCWMWNHADI-VIFPVBQESA-N 1 0 282.304 -0.261 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000358047609 353621443 /nfs/dbraw/zinc/62/14/43/353621443.db2.gz MBFMQYMPBYJZKP-LLVKDONJSA-N 1 0 269.257 -0.016 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1NC[C@]1(O)CC[N@H+](C)C1 ZINC000358325087 353638060 /nfs/dbraw/zinc/63/80/60/353638060.db2.gz AJBNCTZGVASSFF-SNVBAGLBSA-N 1 0 255.278 -0.193 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000358359233 353639782 /nfs/dbraw/zinc/63/97/82/353639782.db2.gz UHJUZSODBCQPQA-LBPRGKRZSA-N 1 0 295.299 -0.433 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000358427196 353643691 /nfs/dbraw/zinc/64/36/91/353643691.db2.gz VJFFTIBGWHCPTQ-LBPRGKRZSA-N 1 0 296.283 -0.508 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000358514559 353648929 /nfs/dbraw/zinc/64/89/29/353648929.db2.gz VKIYNKKIXBGWTH-JTQLQIEISA-N 1 0 297.315 -0.324 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCNc2cc[nH+]cc2)n1 ZINC000357963750 353617321 /nfs/dbraw/zinc/61/73/21/353617321.db2.gz KJEBYLPXVRCTOP-UHFFFAOYSA-N 1 0 290.283 -0.013 20 5 CBBDRO C[N@@H+]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000408063581 353841469 /nfs/dbraw/zinc/84/14/69/353841469.db2.gz VWWVUAUJQPKGHY-UHFFFAOYSA-N 1 0 268.277 -0.650 20 5 CBBDRO CN(C)C(=O)CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390031529 353791443 /nfs/dbraw/zinc/79/14/43/353791443.db2.gz DKKVZPZRQJLONM-LLVKDONJSA-N 1 0 299.331 -0.390 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@H](C)CC[NH3+])c([N+](=O)[O-])n1 ZINC000447255338 354295422 /nfs/dbraw/zinc/29/54/22/354295422.db2.gz JIFFSMXITUFWJN-SSDOTTSWSA-N 1 0 291.333 -0.173 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000546719557 354655384 /nfs/dbraw/zinc/65/53/84/354655384.db2.gz KLTSHSUEOGZTLU-UHFFFAOYSA-N 1 0 284.316 -0.023 20 5 CBBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000562978113 354690766 /nfs/dbraw/zinc/69/07/66/354690766.db2.gz WVNOVWIAHJUKJF-JGVFFNPUSA-N 1 0 255.278 -0.109 20 5 CBBDRO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](C)[NH3+] ZINC000562978114 354691068 /nfs/dbraw/zinc/69/10/68/354691068.db2.gz WVNOVWIAHJUKJF-SFYZADRCSA-N 1 0 255.278 -0.109 20 5 CBBDRO CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C[NH3+])C1 ZINC000569972491 354851780 /nfs/dbraw/zinc/85/17/80/354851780.db2.gz ZBWAYPBCRSQEKJ-SECBINFHSA-N 1 0 293.327 -0.108 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000570561836 354863707 /nfs/dbraw/zinc/86/37/07/354863707.db2.gz OCSVSMMQHVPSEA-QWRGUYRKSA-N 1 0 282.300 -0.320 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000578466855 354947116 /nfs/dbraw/zinc/94/71/16/354947116.db2.gz UTZNJPLECJCDRB-NXEZZACHSA-N 1 0 270.289 -0.534 20 5 CBBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590044105 355073530 /nfs/dbraw/zinc/07/35/30/355073530.db2.gz GYCRAVMTCBZOMU-MWLCHTKSSA-N 1 0 279.300 -0.046 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590369686 355076246 /nfs/dbraw/zinc/07/62/46/355076246.db2.gz KDGOVCGGECQMOS-MRVPVSSYSA-N 1 0 268.273 -0.358 20 5 CBBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590444951 355080723 /nfs/dbraw/zinc/08/07/23/355080723.db2.gz OJFQGWXGKHSYFP-NXEZZACHSA-N 1 0 279.300 -0.046 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000588864651 355062317 /nfs/dbraw/zinc/06/23/17/355062317.db2.gz LLGVIMGWAWKJRB-QMMMGPOBSA-N 1 0 282.300 -0.171 20 5 CBBDRO CN1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733998 355112492 /nfs/dbraw/zinc/11/24/92/355112492.db2.gz UAEOUMYFDIOYHZ-ZYHUDNBSSA-N 1 0 283.332 -0.164 20 5 CBBDRO O=C1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)N1 ZINC000591763891 355112944 /nfs/dbraw/zinc/11/29/44/355112944.db2.gz PVKQYONFNAFERJ-MWLCHTKSSA-N 1 0 297.315 -0.590 20 5 CBBDRO CCN1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000591765804 355112945 /nfs/dbraw/zinc/11/29/45/355112945.db2.gz IUHGJWGZRPYNKR-QWRGUYRKSA-N 1 0 297.315 -0.637 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000592549919 355161985 /nfs/dbraw/zinc/16/19/85/355161985.db2.gz PTVKUHSMENWCLY-JTQLQIEISA-N 1 0 296.283 -0.100 20 5 CBBDRO CC1(OCC(=O)NCCn2cc([N+](=O)[O-])cn2)C[NH2+]C1 ZINC000592565188 355165299 /nfs/dbraw/zinc/16/52/99/355165299.db2.gz XPAYLAJGYUHZDV-UHFFFAOYSA-N 1 0 283.288 -0.714 20 5 CBBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195148 355139381 /nfs/dbraw/zinc/13/93/81/355139381.db2.gz JKKBIOBMKWRSQW-GXSJLCMTSA-N 1 0 298.299 -0.353 20 5 CBBDRO O=C(C[C@@H]1CC[NH2+]C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000592223116 355144770 /nfs/dbraw/zinc/14/47/70/355144770.db2.gz GVNKQUOBZYWWMI-VIFPVBQESA-N 1 0 267.289 -0.093 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCO1 ZINC000592306048 355147144 /nfs/dbraw/zinc/14/71/44/355147144.db2.gz AETYQTSJRNNJKM-XVKPBYJWSA-N 1 0 296.283 -0.116 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000592307352 355147444 /nfs/dbraw/zinc/14/74/44/355147444.db2.gz FYVNEPKQNNZGFK-SVRRBLITSA-N 1 0 269.261 -0.494 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308918 355147489 /nfs/dbraw/zinc/14/74/89/355147489.db2.gz PBTBEQLXPPPXTA-POYBYMJQSA-N 1 0 283.288 -0.185 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000592475519 355156521 /nfs/dbraw/zinc/15/65/21/355156521.db2.gz LWIYOCAHBALZFA-NXEZZACHSA-N 1 0 269.305 -0.161 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593486400 355207041 /nfs/dbraw/zinc/20/70/41/355207041.db2.gz VRKKQWNZAOZEMC-UHFFFAOYSA-N 1 0 296.331 -0.462 20 5 CBBDRO O=[N+]([O-])c1ccn(CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000594027917 355234793 /nfs/dbraw/zinc/23/47/93/355234793.db2.gz VGDZYDKRQCJSQL-WDEREUQCSA-N 1 0 281.316 -0.458 20 5 CBBDRO [NH3+]C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(F)(F)F ZINC000594451374 355248795 /nfs/dbraw/zinc/24/87/95/355248795.db2.gz SNTWWUWUYBFLJV-SCSAIBSYSA-N 1 0 267.167 -0.063 20 5 CBBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595103231 355271234 /nfs/dbraw/zinc/27/12/34/355271234.db2.gz XPZOSYHCFPKGTP-MRVPVSSYSA-N 1 0 286.313 -0.028 20 5 CBBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595106378 355271493 /nfs/dbraw/zinc/27/14/93/355271493.db2.gz UXROMUIRFYZVTQ-MRVPVSSYSA-N 1 0 286.313 -0.041 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@@H](C)C[NH2+]C)c([N+](=O)[O-])n1 ZINC000595119073 355272156 /nfs/dbraw/zinc/27/21/56/355272156.db2.gz LGAGCLMPDGRAQG-ZETCQYMHSA-N 1 0 291.333 -0.303 20 5 CBBDRO [NH3+]C[C@@H](O)CCc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649833 355256264 /nfs/dbraw/zinc/25/62/64/355256264.db2.gz OAEJRFYHEJJTKC-JTQLQIEISA-N 1 0 278.272 -0.177 20 5 CBBDRO [NH3+]CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000595901128 355315285 /nfs/dbraw/zinc/31/52/85/355315285.db2.gz ARICZJFJUJWFAX-GFCCVEGCSA-N 1 0 299.327 -0.413 20 5 CBBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1(O)C[NH2+]C1 ZINC000595924393 355319025 /nfs/dbraw/zinc/31/90/25/355319025.db2.gz DKHCRKNYZDKTQY-UHFFFAOYSA-N 1 0 251.242 -0.455 20 5 CBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(O)C[NH2+]C1 ZINC000595931200 355319889 /nfs/dbraw/zinc/31/98/89/355319889.db2.gz GXQYXOFCGKHUIQ-UHFFFAOYSA-N 1 0 281.268 -0.446 20 5 CBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1(O)C[NH2+]C1 ZINC000595937124 355321438 /nfs/dbraw/zinc/32/14/38/355321438.db2.gz RTAKOFOBUCZSMB-UHFFFAOYSA-N 1 0 281.268 -0.576 20 5 CBBDRO [NH3+]CC12CC(C1)CN2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000595967186 355330253 /nfs/dbraw/zinc/33/02/53/355330253.db2.gz ZFNQMBUEMYQSTJ-UHFFFAOYSA-N 1 0 265.273 -0.259 20 5 CBBDRO [NH3+][C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1F ZINC000595260599 355275725 /nfs/dbraw/zinc/27/57/25/355275725.db2.gz FGLNRQNPKCEVPM-NXEZZACHSA-N 1 0 298.274 -0.346 20 5 CBBDRO C[NH2+]C[C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595268619 355277063 /nfs/dbraw/zinc/27/70/63/355277063.db2.gz IKUKQBZDLVBVOG-QMMMGPOBSA-N 1 0 270.293 -0.302 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOCCF)c1 ZINC000596070521 355340941 /nfs/dbraw/zinc/34/09/41/355340941.db2.gz QMUZTUUTMQUZFZ-SNVBAGLBSA-N 1 0 276.268 -0.272 20 5 CBBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000597696618 355409685 /nfs/dbraw/zinc/40/96/85/355409685.db2.gz CYEZUDXRMKTGRO-BDAKNGLRSA-N 1 0 282.304 -0.263 20 5 CBBDRO CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[N@H+](C)C1 ZINC000597945525 355423945 /nfs/dbraw/zinc/42/39/45/355423945.db2.gz HOWYMRSVZLNEEH-SECBINFHSA-N 1 0 282.304 -0.261 20 5 CBBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000598670288 355450065 /nfs/dbraw/zinc/45/00/65/355450065.db2.gz TVCFVRWCSLEROW-LDYMZIIASA-N 1 0 280.288 -0.474 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598163070 355433631 /nfs/dbraw/zinc/43/36/31/355433631.db2.gz MYBFQPZCFGBNRK-UHFFFAOYSA-N 1 0 253.262 -0.049 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000599531152 355496369 /nfs/dbraw/zinc/49/63/69/355496369.db2.gz KMLDZBBXBYPQCP-DRZSPHRISA-N 1 0 298.295 -0.628 20 5 CBBDRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914565 355456131 /nfs/dbraw/zinc/45/61/31/355456131.db2.gz HJWDXSVKUMJHCB-ZETCQYMHSA-N 1 0 266.257 -0.003 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[NH2+]C2)n1 ZINC000599095982 355463423 /nfs/dbraw/zinc/46/34/23/355463423.db2.gz JWMMTHAJJPEYLC-ZETCQYMHSA-N 1 0 289.317 -0.641 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH3+])CCC2)n1 ZINC000599104926 355464295 /nfs/dbraw/zinc/46/42/95/355464295.db2.gz WATNASZTQVWQFQ-UHFFFAOYSA-N 1 0 289.317 -0.512 20 5 CBBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599106923 355464479 /nfs/dbraw/zinc/46/44/79/355464479.db2.gz ISMFZSZIRAEGOD-ZCFIWIBFSA-N 1 0 277.306 -0.656 20 5 CBBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599109325 355464515 /nfs/dbraw/zinc/46/45/15/355464515.db2.gz TYMPCDCUIDOHTE-SSDOTTSWSA-N 1 0 291.333 -0.395 20 5 CBBDRO CN(CCC[NH3+])S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098495 355464578 /nfs/dbraw/zinc/46/45/78/355464578.db2.gz WHXINLKAJNFSDK-UHFFFAOYSA-N 1 0 277.306 -0.702 20 5 CBBDRO O=[N+]([O-])c1cnccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175958 355469827 /nfs/dbraw/zinc/46/98/27/355469827.db2.gz LAJZDKMEFXCUAM-SECBINFHSA-N 1 0 252.274 -0.110 20 5 CBBDRO O=[N+]([O-])c1cnccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199443 355472449 /nfs/dbraw/zinc/47/24/49/355472449.db2.gz LAJZDKMEFXCUAM-VIFPVBQESA-N 1 0 252.274 -0.110 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@@H](O)C1 ZINC000599670375 355507666 /nfs/dbraw/zinc/50/76/66/355507666.db2.gz FGCPQDXXUYDYHF-ADEWGFFLSA-N 1 0 284.316 -0.145 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1COCC[NH2+]1 ZINC000599922035 355518451 /nfs/dbraw/zinc/51/84/51/355518451.db2.gz XPUWMVJJHRJKJP-SECBINFHSA-N 1 0 298.303 -0.921 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599998896 355523529 /nfs/dbraw/zinc/52/35/29/355523529.db2.gz AXTPOCRQFRFKFA-MBTKJCJQSA-N 1 0 279.300 -0.040 20 5 CBBDRO O=[N+]([O-])c1cnn(CCN2CCC([NH2+]CCO)CC2)c1 ZINC000601328019 355586293 /nfs/dbraw/zinc/58/62/93/355586293.db2.gz DRPQBYSLSHSFGJ-UHFFFAOYSA-N 1 0 283.332 -0.162 20 5 CBBDRO CN1CCOC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600756719 355564614 /nfs/dbraw/zinc/56/46/14/355564614.db2.gz OVSXPFQXRGXCBW-NEPJUHHUSA-N 1 0 299.331 -0.928 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602588468 355662968 /nfs/dbraw/zinc/66/29/68/355662968.db2.gz AGXYXCVMOQMKPA-DTORHVGOSA-N 1 0 265.273 -0.246 20 5 CBBDRO Cn1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602707263 355667432 /nfs/dbraw/zinc/66/74/32/355667432.db2.gz UPXLCVUCKNWSAL-WDEREUQCSA-N 1 0 281.316 -0.421 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCO ZINC000603824334 355719361 /nfs/dbraw/zinc/71/93/61/355719361.db2.gz DFGPRBQLJNXLBE-SECBINFHSA-N 1 0 256.258 -0.084 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000610369762 355777902 /nfs/dbraw/zinc/77/79/02/355777902.db2.gz UNSFKTMFVVZCOC-SNVBAGLBSA-N 1 0 272.305 -0.145 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000611185342 355796615 /nfs/dbraw/zinc/79/66/15/355796615.db2.gz ZJCDYFRHSDJMMS-PHIMTYICSA-N 1 0 283.284 -0.816 20 5 CBBDRO Nc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000274843620 192804854 /nfs/dbraw/zinc/80/48/54/192804854.db2.gz XCCDJBAEGGTNKR-VIFPVBQESA-N 1 0 280.284 -0.023 20 5 CBBDRO C[C@H](C[NH3+])N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000179201449 189177259 /nfs/dbraw/zinc/17/72/59/189177259.db2.gz RVNHFHYNIJNPIV-MRVPVSSYSA-N 1 0 268.273 -0.438 20 5 CBBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330662289 203091559 /nfs/dbraw/zinc/09/15/59/203091559.db2.gz SHDRNJBQUCFCTO-SECBINFHSA-N 1 0 282.304 -0.213 20 5 CBBDRO CC(C)(C(=O)NC[C@H]1C[NH2+]CCO1)n1cc([N+](=O)[O-])cn1 ZINC000574311715 335009311 /nfs/dbraw/zinc/00/93/11/335009311.db2.gz CGYGDMVPQMPYIF-SNVBAGLBSA-N 1 0 297.315 -0.369 20 5 CBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000330693414 203124159 /nfs/dbraw/zinc/12/41/59/203124159.db2.gz HWENGLJRSZTPNZ-SNVBAGLBSA-N 1 0 296.331 -0.847 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000344067566 217035415 /nfs/dbraw/zinc/03/54/15/217035415.db2.gz PVEHDEWHQRQEBL-WKSBVSIWSA-N 1 0 296.327 -0.145 20 5 CBBDRO C[C@H](C[NH3+])N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000237604473 189884152 /nfs/dbraw/zinc/88/41/52/189884152.db2.gz QZQTWQAIGPTXAN-MRVPVSSYSA-N 1 0 255.278 -0.013 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000344676753 217272347 /nfs/dbraw/zinc/27/23/47/217272347.db2.gz MAFODXNEDIHYRT-JTQLQIEISA-N 1 0 271.277 -0.640 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000360646999 373222295 /nfs/dbraw/zinc/22/22/95/373222295.db2.gz LICZWPIMJHSDCF-LLVKDONJSA-N 1 0 285.304 -0.629 20 5 CBBDRO CC1(C)[C@@H](O)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361420757 373292163 /nfs/dbraw/zinc/29/21/63/373292163.db2.gz PIZKTBPPTNTXPI-MNOVXSKESA-N 1 0 284.316 -0.003 20 5 CBBDRO C[C@]1(C(N)=O)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361558846 373309782 /nfs/dbraw/zinc/30/97/82/373309782.db2.gz YUBKVHZLBZBGBT-NSHDSACASA-N 1 0 267.289 -0.011 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397043 373403758 /nfs/dbraw/zinc/40/37/58/373403758.db2.gz QMNPXVZYWKVKIO-BDAKNGLRSA-N 1 0 295.299 -0.089 20 5 CBBDRO COCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363375181 373490063 /nfs/dbraw/zinc/49/00/63/373490063.db2.gz QAZMLQCCDCGHQA-QWRGUYRKSA-N 1 0 271.317 -0.168 20 5 CBBDRO CCc1n[nH]c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000515497640 373789155 /nfs/dbraw/zinc/78/91/55/373789155.db2.gz YCXWADPGOZFNJH-IUCAKERBSA-N 1 0 297.315 -0.373 20 5 CBBDRO C[N@@H+]1CC[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000532688208 374171232 /nfs/dbraw/zinc/17/12/32/374171232.db2.gz ADYLJEPRYZQMHB-VIFPVBQESA-N 1 0 267.289 -0.141 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000561784852 374302560 /nfs/dbraw/zinc/30/25/60/374302560.db2.gz NAQOLDHVJGWQRK-JQWIXIFHSA-N 1 0 297.311 -0.568 20 5 CBBDRO [NH3+][C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000575331431 374337822 /nfs/dbraw/zinc/33/78/22/374337822.db2.gz WHJWSATYOSJZES-UWVGGRQHSA-N 1 0 277.284 -0.262 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000356926265 248301122 /nfs/dbraw/zinc/30/11/22/248301122.db2.gz SQLGKBIEJOVXFQ-UWVGGRQHSA-N 1 0 294.311 -0.035 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347003558 218088722 /nfs/dbraw/zinc/08/87/22/218088722.db2.gz GKQVPKKXYFXKIE-JTQLQIEISA-N 1 0 294.315 -0.119 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2[C@@H](CO)CC[C@H]2CO)n1 ZINC000347292530 218179985 /nfs/dbraw/zinc/17/99/85/218179985.db2.gz BVFQCQLCIXKUOK-AOOOYVTPSA-N 1 0 270.289 -0.391 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347354846 218202798 /nfs/dbraw/zinc/20/27/98/218202798.db2.gz ZMLMSMLIBZNTOX-RYUDHWBXSA-N 1 0 297.311 -0.426 20 5 CBBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515207 190263452 /nfs/dbraw/zinc/26/34/52/190263452.db2.gz YRTIZBCRZFMQFT-KOLCDFICSA-N 1 0 298.299 -0.353 20 5 CBBDRO O=C(CC[NH+]1C[C@@H](O)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278859174 194186316 /nfs/dbraw/zinc/18/63/16/194186316.db2.gz RXHMSUIAWSLIFG-VXGBXAGGSA-N 1 0 295.295 -0.039 20 5 CBBDRO O=C(CC[NH+]1C[C@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278859152 194186658 /nfs/dbraw/zinc/18/66/58/194186658.db2.gz RXHMSUIAWSLIFG-RYUDHWBXSA-N 1 0 295.295 -0.039 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)C2CC2)c1 ZINC000266543053 190265260 /nfs/dbraw/zinc/26/52/60/190265260.db2.gz QWHIJIVGYOCZKV-LLVKDONJSA-N 1 0 270.289 -0.391 20 5 CBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CNC(=O)C[NH3+] ZINC000347709252 218330483 /nfs/dbraw/zinc/33/04/83/218330483.db2.gz ZPGMJGLWPJUNCM-UHFFFAOYSA-N 1 0 296.283 -0.706 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)[NH2+]1 ZINC000153312897 207382514 /nfs/dbraw/zinc/38/25/14/207382514.db2.gz GWEJDZGKDBTGEH-HTQZYQBOSA-N 1 0 268.277 -0.605 20 5 CBBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000427573569 208064629 /nfs/dbraw/zinc/06/46/29/208064629.db2.gz KKGNABTYKQRKSS-SFYZADRCSA-N 1 0 268.277 -0.700 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1=CC[NH2+]CC1 ZINC000427612215 208065724 /nfs/dbraw/zinc/06/57/24/208065724.db2.gz LUDPTRZNDOIENB-UHFFFAOYSA-N 1 0 292.295 -0.208 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[C@H]1CC[NH2+]C1 ZINC000429426013 208122311 /nfs/dbraw/zinc/12/23/11/208122311.db2.gz MAWQANWLDRVPNO-SNVBAGLBSA-N 1 0 294.311 -0.128 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[C@@H](C)[NH3+] ZINC000429045510 208107383 /nfs/dbraw/zinc/10/73/83/208107383.db2.gz LJHHGXJEAVKHEZ-SSDOTTSWSA-N 1 0 255.278 -0.047 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000429318697 208119335 /nfs/dbraw/zinc/11/93/35/208119335.db2.gz RZJNNSWJGIJHQP-SSDOTTSWSA-N 1 0 254.250 -0.993 20 5 CBBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000434707103 208268508 /nfs/dbraw/zinc/26/85/08/208268508.db2.gz PTKGJDNDSUQESQ-HTQZYQBOSA-N 1 0 268.277 -0.557 20 5 CBBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O ZINC000440964162 208347410 /nfs/dbraw/zinc/34/74/10/208347410.db2.gz NLPBFMHJEJIQKK-MNOVXSKESA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@@H](C[NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000441617725 208351513 /nfs/dbraw/zinc/35/15/13/208351513.db2.gz DETIRZWUSFTODC-QMMMGPOBSA-N 1 0 268.273 -0.533 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353763168 220314499 /nfs/dbraw/zinc/31/44/99/220314499.db2.gz SRSGTWUQIXNVMF-YUMQZZPRSA-N 1 0 265.273 -0.001 20 5 CBBDRO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000275381085 135105603 /nfs/dbraw/zinc/10/56/03/135105603.db2.gz PDPGNIWGUVTANI-BDAKNGLRSA-N 1 0 296.331 -0.142 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1COC[C@H]1O ZINC000285399481 196272072 /nfs/dbraw/zinc/27/20/72/196272072.db2.gz AVLQXIOHSZITIR-NXEZZACHSA-N 1 0 256.262 -0.517 20 5 CBBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285557613 196325718 /nfs/dbraw/zinc/32/57/18/196325718.db2.gz VBYOUGKCJRHGPZ-QMMMGPOBSA-N 1 0 283.288 -0.232 20 5 CBBDRO CC(=O)NCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000575178617 335076023 /nfs/dbraw/zinc/07/60/23/335076023.db2.gz KZKLTZNCTLSABC-UHFFFAOYSA-N 1 0 282.300 -0.176 20 5 CBBDRO C[NH+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000044667099 419429531 /nfs/dbraw/zinc/42/95/31/419429531.db2.gz ZSXNFJOBVCJBLL-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO C[C@H](O)C[N@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289738510 419611597 /nfs/dbraw/zinc/61/15/97/419611597.db2.gz JKPINJNVOOHFKC-JTQLQIEISA-N 1 0 285.300 -0.568 20 5 CBBDRO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000341815130 419733750 /nfs/dbraw/zinc/73/37/50/419733750.db2.gz WJNCODYJEKUQOI-UHFFFAOYSA-N 1 0 266.305 0.143 20 5 CBBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000359218773 419948672 /nfs/dbraw/zinc/94/86/72/419948672.db2.gz PBKVPARJDZFXRN-VIFPVBQESA-N 1 0 282.304 -0.213 20 5 CBBDRO Nc1nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571471 420029259 /nfs/dbraw/zinc/02/92/59/420029259.db2.gz NXJCXCVIQKJLHY-DTWKUNHWSA-N 1 0 294.315 -0.336 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000365851938 420070237 /nfs/dbraw/zinc/07/02/37/420070237.db2.gz XQDDKFZPPAVKDZ-CHWSQXEVSA-N 1 0 296.327 -0.001 20 5 CBBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)C1 ZINC000365334300 420061193 /nfs/dbraw/zinc/06/11/93/420061193.db2.gz ISIWMHYSQCINBC-AVGNSLFASA-N 1 0 296.371 -0.110 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000368787689 420143230 /nfs/dbraw/zinc/14/32/30/420143230.db2.gz ZHILTRASWCRVFB-WDEREUQCSA-N 1 0 282.300 -0.391 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000368010897 420121740 /nfs/dbraw/zinc/12/17/40/420121740.db2.gz VCHPBAUTGHPPSR-MXWKQRLJSA-N 1 0 268.317 -0.842 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405261754 420225780 /nfs/dbraw/zinc/22/57/80/420225780.db2.gz JIRYQKOABQHLHP-DTWKUNHWSA-N 1 0 267.289 -0.417 20 5 CBBDRO Nc1nc(NCC[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000420235760 420249722 /nfs/dbraw/zinc/24/97/22/420249722.db2.gz JAKPCAIEVMTNIQ-SSDOTTSWSA-N 1 0 252.278 -0.057 20 5 CBBDRO COCC[NH2+]CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420217574 420249744 /nfs/dbraw/zinc/24/97/44/420249744.db2.gz JVIVDSRFEDYDGI-UHFFFAOYSA-N 1 0 255.278 0.341 20 5 CBBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356748321 230237956 /nfs/dbraw/zinc/23/79/56/230237956.db2.gz TXADOPBQZSTBGA-UHFFFAOYSA-N 1 0 255.278 -0.038 20 5 CBBDRO O=C1NC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]12 ZINC000377683060 230296495 /nfs/dbraw/zinc/29/64/95/230296495.db2.gz ZBURGBPWQXCGFE-NXEZZACHSA-N 1 0 279.300 -0.141 20 5 CBBDRO CN(CC1C[NH+](C)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000596454957 420488307 /nfs/dbraw/zinc/48/83/07/420488307.db2.gz WZRRULHRJGJAOT-UHFFFAOYSA-N 1 0 252.278 -0.035 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597653161 420489763 /nfs/dbraw/zinc/48/97/63/420489763.db2.gz HKENUBMUSZMQEX-ZETCQYMHSA-N 1 0 283.288 -0.776 20 5 CBBDRO CN1CCOC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000599160915 420491580 /nfs/dbraw/zinc/49/15/80/420491580.db2.gz LPHXLYVFSPTMAX-QMMMGPOBSA-N 1 0 267.289 0.315 20 5 CBBDRO NC(=O)[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000519155863 265334357 /nfs/dbraw/zinc/33/43/57/265334357.db2.gz UFJWKHDZEMZKKX-VIFPVBQESA-N 1 0 296.283 -0.641 20 5 CBBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000193148403 269573490 /nfs/dbraw/zinc/57/34/90/269573490.db2.gz FYJFDNNAMWVLRI-UHFFFAOYSA-N 1 0 254.246 -0.013 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC([NH+](C)C)C1 ZINC000360724223 276774345 /nfs/dbraw/zinc/77/43/45/276774345.db2.gz ZPZGDNVHOYQOSC-UHFFFAOYSA-N 1 0 253.262 -0.286 20 5 CBBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH3+] ZINC000428772657 280198650 /nfs/dbraw/zinc/19/86/50/280198650.db2.gz NCZSJQCOYDFBIM-MRVPVSSYSA-N 1 0 284.320 -0.098 20 5 CBBDRO C[NH+](C)[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000563363567 328058951 /nfs/dbraw/zinc/05/89/51/328058951.db2.gz HPCIHVHJRQAFLS-RYUDHWBXSA-N 1 0 296.327 -0.637 20 5 CBBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000563638941 328079930 /nfs/dbraw/zinc/07/99/30/328079930.db2.gz XDFAZSRRFDQQRJ-ZETCQYMHSA-N 1 0 251.246 -0.105 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584124286 327046159 /nfs/dbraw/zinc/04/61/59/327046159.db2.gz ABXSSGFWJGGGDF-YUMQZZPRSA-N 1 0 280.288 -0.924 20 5 CBBDRO C[NH2+]C[C@@H](O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584172813 327057306 /nfs/dbraw/zinc/05/73/06/327057306.db2.gz GZBLCZJEXNWCDC-GHMZBOCLSA-N 1 0 299.327 -0.496 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000564944346 327247126 /nfs/dbraw/zinc/24/71/26/327247126.db2.gz NQWZFGQZYRDWHF-VIFPVBQESA-N 1 0 296.331 -0.474 20 5 CBBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000573923425 327272967 /nfs/dbraw/zinc/27/29/67/327272967.db2.gz QTGILBJZQRWBFZ-IUCAKERBSA-N 1 0 282.300 -0.002 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C(CO)CO)c1 ZINC000578651858 327348268 /nfs/dbraw/zinc/34/82/68/327348268.db2.gz MDGMBNLMVCSAJN-NSHDSACASA-N 1 0 286.284 -0.723 20 5 CBBDRO O=C(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NCC1CC1 ZINC000393084276 329066678 /nfs/dbraw/zinc/06/66/78/329066678.db2.gz TZTOKIFCRLFFDM-LLVKDONJSA-N 1 0 297.315 -0.732 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC2(CO)CC2)c1 ZINC000395895411 329301747 /nfs/dbraw/zinc/30/17/47/329301747.db2.gz HSIVRASRWKITQE-NSHDSACASA-N 1 0 284.316 -0.096 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000572167427 329951285 /nfs/dbraw/zinc/95/12/85/329951285.db2.gz FKQVVJJNULWEMU-MWLCHTKSSA-N 1 0 281.316 -0.109 20 5 CBBDRO Cc1cc([N+](=O)[O-])cn(CCN2CC[NH2+]CC2)c1=O ZINC000566618407 334657672 /nfs/dbraw/zinc/65/76/72/334657672.db2.gz JZWUUSXAQWHWDI-UHFFFAOYSA-N 1 0 266.301 -0.030 20 5 CBBDRO C[C@@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC000576148296 335160475 /nfs/dbraw/zinc/16/04/75/335160475.db2.gz XQOHJZGVECULID-LLVKDONJSA-N 1 0 267.289 -0.093 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000564944275 334529600 /nfs/dbraw/zinc/52/96/00/334529600.db2.gz KGIAHMSYNVMFOT-VIFPVBQESA-N 1 0 296.331 -0.648 20 5 CBBDRO CON1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000567694596 334752675 /nfs/dbraw/zinc/75/26/75/334752675.db2.gz XXONJSIJAMPANF-GFCCVEGCSA-N 1 0 299.331 -0.232 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000576871877 335258302 /nfs/dbraw/zinc/25/83/02/335258302.db2.gz LVSHEJMYPSANAZ-KNVOCYPGSA-N 1 0 251.246 -0.391 20 5 CBBDRO NC(=O)[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577221271 335325424 /nfs/dbraw/zinc/32/54/24/335325424.db2.gz KPXUBADIHSMBPX-SNVBAGLBSA-N 1 0 296.283 -0.641 20 5 CBBDRO COc1ccc(OCC[NH2+]C(CO)CO)c([N+](=O)[O-])c1 ZINC000577526460 335364722 /nfs/dbraw/zinc/36/47/22/335364722.db2.gz CUTOMEUGILGRJB-UHFFFAOYSA-N 1 0 286.284 -0.075 20 5 CBBDRO Cc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000581380850 336065893 /nfs/dbraw/zinc/06/58/93/336065893.db2.gz HGWCRSKCBLGCBF-BDAKNGLRSA-N 1 0 292.299 -0.559 20 5 CBBDRO NC(=O)[C@@]1(O)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473215 582386150 /nfs/dbraw/zinc/38/61/50/582386150.db2.gz IDTPJSZXMPDCNK-WCQYABFASA-N 1 0 295.295 -0.450 20 5 CBBDRO C[N@H+](CC[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000791054295 582392414 /nfs/dbraw/zinc/39/24/14/582392414.db2.gz ZJGLDDINEMROHD-UHFFFAOYSA-N 1 0 265.335 -0.381 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849766 582410725 /nfs/dbraw/zinc/41/07/25/582410725.db2.gz ADBUUNHFRSODGK-RKDXNWHRSA-N 1 0 295.299 -0.089 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849762 582410761 /nfs/dbraw/zinc/41/07/61/582410761.db2.gz ADBUUNHFRSODGK-DTWKUNHWSA-N 1 0 295.299 -0.089 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](CO)C[NH+]1CCCC1 ZINC000808222796 582442346 /nfs/dbraw/zinc/44/23/46/582442346.db2.gz XXKCYDMJEOVLBG-JTQLQIEISA-N 1 0 297.315 -0.636 20 5 CBBDRO CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000834301547 583119790 /nfs/dbraw/zinc/11/97/90/583119790.db2.gz LHLYVCHNKUCTFF-JTQLQIEISA-N 1 0 293.327 -0.108 20 5 CBBDRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000839730669 583158771 /nfs/dbraw/zinc/15/87/71/583158771.db2.gz HZLWVGOCVVATNI-HBNTYKKESA-N 1 0 285.344 -0.045 20 5 CBBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781110 583159616 /nfs/dbraw/zinc/15/96/16/583159616.db2.gz IVVLHFCYZMRNAI-HBNTYKKESA-N 1 0 271.317 -0.385 20 5 CBBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840452968 583165045 /nfs/dbraw/zinc/16/50/45/583165045.db2.gz MBCZRMRJPVWNGZ-HBNTYKKESA-N 1 0 271.317 -0.385 20 5 CBBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)CO)c1 ZINC000843064565 583198970 /nfs/dbraw/zinc/19/89/70/583198970.db2.gz ZIBTVPFIKWJUDG-GHMZBOCLSA-N 1 0 256.258 -0.429 20 5 CBBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)CO)c1 ZINC000843064567 583199214 /nfs/dbraw/zinc/19/92/14/583199214.db2.gz ZIBTVPFIKWJUDG-QWRGUYRKSA-N 1 0 256.258 -0.429 20 5 CBBDRO C[NH+](C)CCN1CCN(Cn2nccc2[N+](=O)[O-])CC1=O ZINC000844714526 583278252 /nfs/dbraw/zinc/27/82/52/583278252.db2.gz PIHDCZWAZXPACV-UHFFFAOYSA-N 1 0 296.331 -0.545 20 5 CBBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854642084 583614142 /nfs/dbraw/zinc/61/41/42/583614142.db2.gz INQDIGKOUJSKNV-KKOKHZNYSA-N 1 0 283.328 -0.027 20 5 CBBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863833931 583859231 /nfs/dbraw/zinc/85/92/31/583859231.db2.gz YINWSPCGXAWFRB-JTQLQIEISA-N 1 0 294.311 -0.027 20 5 CBBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000879993669 584258711 /nfs/dbraw/zinc/25/87/11/584258711.db2.gz ZRRZVLCGOQGORV-IVZWLZJFSA-N 1 0 257.290 -0.776 20 5 CBBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896536099 584701595 /nfs/dbraw/zinc/70/15/95/584701595.db2.gz VGPCPSHTCSGTNA-GWOFURMSSA-N 1 0 270.333 -0.598 20 5 CBBDRO COC[C@H]1C[NH2+]CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000903881009 584903656 /nfs/dbraw/zinc/90/36/56/584903656.db2.gz ASBJOXDMBDFLIQ-SNVBAGLBSA-N 1 0 269.305 -0.252 20 5 CBBDRO CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000941406514 614316758 /nfs/dbraw/zinc/31/67/58/614316758.db2.gz BDZAAZVSQWZJCE-CHWSQXEVSA-N 1 0 296.371 -0.112 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000923380110 658246611 /nfs/dbraw/zinc/24/66/11/658246611.db2.gz MNIHFTXBEOJMFV-CHWSQXEVSA-N 1 0 295.343 -0.020 20 5 CBBDRO C[C@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000928447576 659024490 /nfs/dbraw/zinc/02/44/90/659024490.db2.gz KZNJUUDLIITELC-GXSJLCMTSA-N 1 0 294.311 -0.035 20 5 CBBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+](CCO)CCO)c1 ZINC000062351209 656033314 /nfs/dbraw/zinc/03/33/14/656033314.db2.gz FQEMGCHNAGYCOB-GFCCVEGCSA-N 1 0 270.285 -0.085 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000173326514 656084992 /nfs/dbraw/zinc/08/49/92/656084992.db2.gz DICZFAGHXNQXRO-LLVKDONJSA-N 1 0 298.299 -0.399 20 5 CBBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905255869 656346483 /nfs/dbraw/zinc/34/64/83/656346483.db2.gz LBUULOZFFSZLOI-VIFPVBQESA-N 1 0 265.335 -0.333 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911788383 657129887 /nfs/dbraw/zinc/12/98/87/657129887.db2.gz QFKYKZBWRYZNCL-SECBINFHSA-N 1 0 267.289 -0.080 20 5 CBBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000913537338 657496492 /nfs/dbraw/zinc/49/64/92/657496492.db2.gz DHRCZQFKPUQUES-DTORHVGOSA-N 1 0 280.288 -0.509 20 5 CBBDRO NC(=O)CC[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577336 657779493 /nfs/dbraw/zinc/77/94/93/657779493.db2.gz RVHVSNNYMORZNU-CMPLNLGQSA-N 1 0 283.284 -0.546 20 5 CBBDRO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001020139095 658016713 /nfs/dbraw/zinc/01/67/13/658016713.db2.gz QHMJOYUWBLQVGJ-DDHJBXDOSA-N 1 0 293.327 -0.178 20 5 CBBDRO C[NH2+][C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923278152 658191971 /nfs/dbraw/zinc/19/19/71/658191971.db2.gz PKYNDQYWSOAFOR-ONGXEEELSA-N 1 0 269.305 -0.554 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000923329936 658214565 /nfs/dbraw/zinc/21/45/65/658214565.db2.gz SHLRUWMCTSVWNS-DGCLKSJQSA-N 1 0 295.343 -0.022 20 5 CBBDRO C[C@@H]1[NH2+]CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000923344761 658219699 /nfs/dbraw/zinc/21/96/99/658219699.db2.gz IIYNARTXNAMHSO-NHCYSSNCSA-N 1 0 283.332 -0.166 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923360128 658228367 /nfs/dbraw/zinc/22/83/67/658228367.db2.gz WIEXXRIYPPFYGV-RAIGVLPGSA-N 1 0 295.343 -0.164 20 5 CBBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@@H]([NH2+]CCO)C2)n1 ZINC000923405849 658258919 /nfs/dbraw/zinc/25/89/19/658258919.db2.gz ANMBFYFBSZZVFO-LLVKDONJSA-N 1 0 283.332 -0.162 20 5 CBBDRO C[C@]12C[NH2+]C[C@H]1CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000923428769 658273573 /nfs/dbraw/zinc/27/35/73/658273573.db2.gz ZJIZFQIWDKLQEM-CYZMBNFOSA-N 1 0 295.343 -0.307 20 5 CBBDRO C[N@@H+]1CCC[C@H](N2CCN(CC[N+](=O)[O-])CC2)C1 ZINC000929982367 659192005 /nfs/dbraw/zinc/19/20/05/659192005.db2.gz SSJMNWUQGNCSCK-LBPRGKRZSA-N 1 0 256.350 -0.025 20 5 CBBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000931404434 659454617 /nfs/dbraw/zinc/45/46/17/659454617.db2.gz ZDEWHSUTSYTFIR-NSHDSACASA-N 1 0 269.305 -0.600 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N2CCN3CC[NH2+]C[C@H]3C2)n1 ZINC001164398022 718833148 /nfs/dbraw/zinc/83/31/48/718833148.db2.gz ACDXQQSMJFTACD-JTQLQIEISA-N 1 0 278.316 -0.213 20 5 CBBDRO C[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001164672016 719371200 /nfs/dbraw/zinc/37/12/00/719371200.db2.gz XXMQVJFCOCXTHX-MNOVXSKESA-N 1 0 280.284 -0.253 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccon2)c1 ZINC000148874507 790397897 /nfs/dbraw/zinc/39/78/97/790397897.db2.gz NBUVUAHSKNKIBK-JTQLQIEISA-N 1 0 267.245 -0.070 20 5 CBBDRO Nc1nc(N2CCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000165885640 790408001 /nfs/dbraw/zinc/40/80/01/790408001.db2.gz IWVWHXSNGVSJMA-ZETCQYMHSA-N 1 0 253.262 -0.264 20 5 CBBDRO [NH3+]C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000702037914 790720136 /nfs/dbraw/zinc/72/01/36/790720136.db2.gz SQMUTVCUVLGLAM-QMMMGPOBSA-N 1 0 253.262 -0.402 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000720925613 790774078 /nfs/dbraw/zinc/77/40/78/790774078.db2.gz OREJWRKZKGSYCN-DVVUODLYSA-N 1 0 270.289 -0.487 20 5 CBBDRO O=C(NCC1C[NH+](CCn2cccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660728 799530370 /nfs/dbraw/zinc/53/03/70/799530370.db2.gz QDAZHNNSBZDZKN-VXGBXAGGSA-N 1 0 293.327 -0.404 20 5 CBBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645822 799850659 /nfs/dbraw/zinc/85/06/59/799850659.db2.gz WTZILDHMNJAQCL-GWOFURMSSA-N 1 0 271.317 -0.339 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1C[NH2+]C1 ZINC001118144395 812479420 /nfs/dbraw/zinc/47/94/20/812479420.db2.gz YXRQHQHBYMUFED-UHFFFAOYSA-N 1 0 266.257 -0.908 20 5 CBBDRO COCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001153979485 815191115 /nfs/dbraw/zinc/19/11/15/815191115.db2.gz CPQZPCPJEXHZEY-UHFFFAOYSA-N 1 0 285.304 -0.429 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1ccc([N+](=O)[O-])c(N)n1 ZINC001154770471 815239586 /nfs/dbraw/zinc/23/95/86/815239586.db2.gz KGFNHZZCUBJYAL-UHFFFAOYSA-N 1 0 275.290 -0.703 20 5 CBBDRO COc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155571863 815295246 /nfs/dbraw/zinc/29/52/46/815295246.db2.gz UPAQVKGVRLGSAC-BXKDBHETSA-N 1 0 293.283 -0.012 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155573150 815296548 /nfs/dbraw/zinc/29/65/48/815296548.db2.gz YPDGXSXNIDAVCI-LDYMZIIASA-N 1 0 278.272 -0.317 20 5 CBBDRO Nc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155574083 815297091 /nfs/dbraw/zinc/29/70/91/815297091.db2.gz DWXRKUOQWBWTAW-KCJUWKMLSA-N 1 0 278.272 -0.438 20 5 CBBDRO COc1cnc(N(CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC001155949696 815325083 /nfs/dbraw/zinc/32/50/83/815325083.db2.gz SXOGWIWPLOKSCF-UHFFFAOYSA-N 1 0 256.262 -0.244 20 5 CBBDRO [NH3+]CCN(CCO)c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155952779 815325244 /nfs/dbraw/zinc/32/52/44/815325244.db2.gz LYLUJLJGJFKAPA-UHFFFAOYSA-N 1 0 276.680 -0.361 20 5 CBBDRO CN(c1ncc(F)cc1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001156232291 815348073 /nfs/dbraw/zinc/34/80/73/815348073.db2.gz VLCHAIMQLMRHNL-UHFFFAOYSA-N 1 0 278.265 -0.146 20 5 CBBDRO COc1cnc(N(C)S(=O)(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC001156236830 815349284 /nfs/dbraw/zinc/34/92/84/815349284.db2.gz ROFPUPBWDRCQLB-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(-n2nnc(CC[NH3+])n2)n1 ZINC001156985004 815394784 /nfs/dbraw/zinc/39/47/84/815394784.db2.gz PVHIOGLKGQXSSX-UHFFFAOYSA-N 1 0 250.222 -0.830 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1nnc(CC[NH3+])n1 ZINC001156985882 815395649 /nfs/dbraw/zinc/39/56/49/815395649.db2.gz OWCUNGCUGIZWSD-UHFFFAOYSA-N 1 0 293.243 -0.747 20 5 CBBDRO N=C(NCCCC[NH3+])Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001157093454 815403831 /nfs/dbraw/zinc/40/38/31/815403831.db2.gz BCDAUYHZNZQNQK-UHFFFAOYSA-N 1 0 268.277 -0.097 20 5 CBBDRO CCn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001157775078 815466139 /nfs/dbraw/zinc/46/61/39/815466139.db2.gz LBXXWEOZNPOROW-GHMZBOCLSA-N 1 0 296.331 -0.441 20 5 CBBDRO Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767564 815462601 /nfs/dbraw/zinc/46/26/01/815462601.db2.gz QUFNAEFLUUNUGI-RKDXNWHRSA-N 1 0 282.304 -0.924 20 5 CBBDRO COc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001157767106 815463174 /nfs/dbraw/zinc/46/31/74/815463174.db2.gz HQPUXLZRTQVOJI-NXEZZACHSA-N 1 0 298.299 -0.056 20 5 CBBDRO C[N@@H+]1CC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001116028382 812213960 /nfs/dbraw/zinc/21/39/60/812213960.db2.gz PQIIRPKVHZWQKR-MRVPVSSYSA-N 1 0 268.277 -0.746 20 5 CBBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001116148010 812226801 /nfs/dbraw/zinc/22/68/01/812226801.db2.gz WKIGEMIOICBURC-SNVBAGLBSA-N 1 0 296.331 -0.014 20 5 CBBDRO Cc1n[nH]c(C(=O)NCC2(O)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001116200989 812230627 /nfs/dbraw/zinc/23/06/27/812230627.db2.gz DCQZTGUZPULFLE-UHFFFAOYSA-N 1 0 297.315 -0.187 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H](Nc2c(C)c([N+](=O)[O-])cc[n+]2[O-])CN1 ZINC001158254655 815516128 /nfs/dbraw/zinc/51/61/28/815516128.db2.gz GYIQCJKBLVACNK-BDAKNGLRSA-N 1 0 296.283 -0.148 20 5 CBBDRO O=C1C[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CO1 ZINC001158251728 815516509 /nfs/dbraw/zinc/51/65/09/815516509.db2.gz QNMDTPUZWIZNGR-SSDOTTSWSA-N 1 0 279.256 -0.201 20 5 CBBDRO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCC[NH2+]C1 ZINC001118082271 812468908 /nfs/dbraw/zinc/46/89/08/812468908.db2.gz WPMHQEMJZUVOSV-DTWKUNHWSA-N 1 0 282.304 -0.309 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001118165312 812483563 /nfs/dbraw/zinc/48/35/63/812483563.db2.gz UEAJOPHPXSOETD-JTQLQIEISA-N 1 0 297.315 -0.324 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH2+]CC1 ZINC001118194392 812490013 /nfs/dbraw/zinc/49/00/13/812490013.db2.gz XWGHVIANFDCREH-UHFFFAOYSA-N 1 0 267.289 -0.032 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCC1 ZINC001118265910 812511451 /nfs/dbraw/zinc/51/14/51/812511451.db2.gz HHAFIQSYVKROTE-UHFFFAOYSA-N 1 0 253.262 -0.061 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001118505156 812560408 /nfs/dbraw/zinc/56/04/08/812560408.db2.gz AZNQKHOOHKKART-UHFFFAOYSA-N 1 0 265.273 -0.190 20 5 CBBDRO Nc1nc(N2C[C@@H]([NH3+])C3(COC3)C2)ccc1[N+](=O)[O-] ZINC001158761567 815545207 /nfs/dbraw/zinc/54/52/07/815545207.db2.gz CTFJMJCHPDFFES-MRVPVSSYSA-N 1 0 265.273 -0.264 20 5 CBBDRO C=CC(=O)NCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001158840014 815549166 /nfs/dbraw/zinc/54/91/66/815549166.db2.gz XUZJAQKCDOTGMB-UHFFFAOYSA-N 1 0 292.299 -0.214 20 5 CBBDRO Nc1cc(NC[C@@H]2COCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001159043608 815556161 /nfs/dbraw/zinc/55/61/61/815556161.db2.gz FGQGARQXEGGNQC-SSDOTTSWSA-N 1 0 253.262 -0.028 20 5 CBBDRO C[C@H]1C[NH2+]CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001119618491 812834202 /nfs/dbraw/zinc/83/42/02/812834202.db2.gz LKLQTMOIKKCTTR-ONGXEEELSA-N 1 0 269.305 -0.554 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@H]2COCC[NH2+]2)c1 ZINC001159035405 815556337 /nfs/dbraw/zinc/55/63/37/815556337.db2.gz GMZYYUICWSNHDG-QMMMGPOBSA-N 1 0 254.246 -0.372 20 5 CBBDRO O=C(CC[NH2+]CC[N+](=O)[O-])NCc1cccnc1 ZINC001120486998 812974379 /nfs/dbraw/zinc/97/43/79/812974379.db2.gz ZAOLERGYDIPEOR-UHFFFAOYSA-N 1 0 252.274 -0.046 20 5 CBBDRO CN(CC[NH3+])CCNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001159432507 815572759 /nfs/dbraw/zinc/57/27/59/815572759.db2.gz VSSHSOKEHZDNMS-UHFFFAOYSA-N 1 0 255.278 -0.469 20 5 CBBDRO Cc1nc(NCCN(C)CC[NH3+])ncc1[N+](=O)[O-] ZINC001159443335 815573716 /nfs/dbraw/zinc/57/37/16/815573716.db2.gz OTZKQGJQHTWARF-UHFFFAOYSA-N 1 0 254.294 -0.004 20 5 CBBDRO Cc1nn(C)c(C(=O)NOC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001122022634 813106413 /nfs/dbraw/zinc/10/64/13/813106413.db2.gz MARDWWBFUBBSGF-YFKPBYRVSA-N 1 0 257.250 -0.355 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001159861395 815601074 /nfs/dbraw/zinc/60/10/74/815601074.db2.gz SKGIHRVDPJAMJE-UHFFFAOYSA-N 1 0 284.272 -0.444 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001159864482 815601081 /nfs/dbraw/zinc/60/10/81/815601081.db2.gz DGACPZQSOCOZJT-UHFFFAOYSA-N 1 0 298.299 -0.135 20 5 CBBDRO O=C(NCC[NH2+]CCOCC(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936815 813697207 /nfs/dbraw/zinc/69/72/07/813697207.db2.gz SJULPYQQQDHGIX-HTQZYQBOSA-N 1 0 281.259 -0.361 20 5 CBBDRO CCO[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C[NH+](C)C ZINC001133572313 814273409 /nfs/dbraw/zinc/27/34/09/814273409.db2.gz ZAAFSUGSPFVIPH-SNVBAGLBSA-N 1 0 299.331 -0.126 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC001159672769 815584999 /nfs/dbraw/zinc/58/49/99/815584999.db2.gz SKRIBSBCUXZYIN-IONNQARKSA-N 1 0 254.246 -0.780 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@H]2CO)n1 ZINC001159676422 815585980 /nfs/dbraw/zinc/58/59/80/815585980.db2.gz GZUCPBDMSMQNRI-YUMQZZPRSA-N 1 0 253.262 -0.315 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001159675036 815586040 /nfs/dbraw/zinc/58/60/40/815586040.db2.gz BGYWSSAASVXOQC-HTQZYQBOSA-N 1 0 283.288 -0.306 20 5 CBBDRO COc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001159673811 815586142 /nfs/dbraw/zinc/58/61/42/815586142.db2.gz ZLKUIEQFYKWDQL-HTQZYQBOSA-N 1 0 268.273 -0.009 20 5 CBBDRO COC(=O)c1ccnc(N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001159678075 815586729 /nfs/dbraw/zinc/58/67/29/815586729.db2.gz NRKXMTWCHXVXMZ-CBAPKCEASA-N 1 0 296.283 -0.231 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159678985 815587336 /nfs/dbraw/zinc/58/73/36/815587336.db2.gz ANMUSUQFGATETO-MUWHJKNJSA-N 1 0 253.262 -0.436 20 5 CBBDRO CC(=O)NCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161659072 815778114 /nfs/dbraw/zinc/77/81/14/815778114.db2.gz RSCMMEIEWVIIFU-UHFFFAOYSA-N 1 0 280.288 -0.380 20 5 CBBDRO C[C@@H](O)[C@@H](CO)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161776107 815786669 /nfs/dbraw/zinc/78/66/69/815786669.db2.gz HWBPCHJZHZRYIK-HTRCEHHLSA-N 1 0 283.288 -0.775 20 5 CBBDRO O=[N+]([O-])c1c(NCCn2ccnn2)ncnc1C1C[NH2+]C1 ZINC001161926410 815794249 /nfs/dbraw/zinc/79/42/49/815794249.db2.gz MFBKJXJBYPYSRN-UHFFFAOYSA-N 1 0 290.287 -0.225 20 5 CBBDRO CNc1cc([N+](=O)[O-])cnc1N(CC[NH3+])S(C)(=O)=O ZINC001162124168 815803327 /nfs/dbraw/zinc/80/33/27/815803327.db2.gz PZJBFXLJHWXLBQ-UHFFFAOYSA-N 1 0 289.317 -0.244 20 5 CBBDRO Cn1cc(N(CC[NH3+])S(C)(=O)=O)cc([N+](=O)[O-])c1=O ZINC001162127572 815804671 /nfs/dbraw/zinc/80/46/71/815804671.db2.gz YAHZRDPHLSYIAZ-UHFFFAOYSA-N 1 0 290.301 -0.982 20 5 CBBDRO COc1cc(N(CC[NH3+])S(C)(=O)=O)cnc1[N+](=O)[O-] ZINC001162129340 815805104 /nfs/dbraw/zinc/80/51/04/815805104.db2.gz WDBLUQHGNJPISO-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO NC(=O)c1ccnc(-n2nccc2C[NH3+])c1[N+](=O)[O-] ZINC001162592592 815835321 /nfs/dbraw/zinc/83/53/21/815835321.db2.gz JVDSEBMFRPQKSG-UHFFFAOYSA-N 1 0 262.229 -0.267 20 5 CBBDRO Cc1nc(N2CCC([NH3+])(CO)CC2)ncc1[N+](=O)[O-] ZINC001162700585 815841012 /nfs/dbraw/zinc/84/10/12/815841012.db2.gz JUVNUBMOPRDSJC-UHFFFAOYSA-N 1 0 267.289 -0.017 20 5 CBBDRO NC(=O)c1ccnc(N[C@@H]2COC[C@@H]2[NH3+])c1[N+](=O)[O-] ZINC001162919837 815848696 /nfs/dbraw/zinc/84/86/96/815848696.db2.gz GSFRNRQYQONRHH-NKWVEPMBSA-N 1 0 267.245 -0.773 20 5 CBBDRO COc1cnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163239154 815869963 /nfs/dbraw/zinc/86/99/63/815869963.db2.gz QZMLHJLRVJXHAV-JOYOIKCWSA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1cnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163239153 815870359 /nfs/dbraw/zinc/87/03/59/815870359.db2.gz QZMLHJLRVJXHAV-CABZTGNLSA-N 1 0 293.283 -0.012 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc([N+](=O)[O-])cn2)N1 ZINC001163240837 815871719 /nfs/dbraw/zinc/87/17/19/815871719.db2.gz WXWNIOXKCPKFRX-KCJUWKMLSA-N 1 0 263.257 -0.020 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163253424 815875613 /nfs/dbraw/zinc/87/56/13/815875613.db2.gz ZFNVDKNRAAQFAK-SKDRFNHKSA-N 1 0 293.283 -0.012 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cnc([N+](=O)[O-])cn2)N1 ZINC001163255482 815876414 /nfs/dbraw/zinc/87/64/14/815876414.db2.gz YTSPSBKTKAYXFC-WKEGUHRASA-N 1 0 264.245 -0.625 20 5 CBBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc1 ZINC001163332308 815877930 /nfs/dbraw/zinc/87/79/30/815877930.db2.gz IZZSUWJBCLPWCB-VGMNWLOBSA-N 1 0 251.246 -0.074 20 5 CBBDRO CCO[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C[NH+](C)C ZINC001288685643 816418361 /nfs/dbraw/zinc/41/83/61/816418361.db2.gz NCNLGZDEEVAPHK-NSHDSACASA-N 1 0 299.331 -0.126 20 5 CBBDRO CN(CC[NH2+]CCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317584587 817023097 /nfs/dbraw/zinc/02/30/97/817023097.db2.gz DWFOTASMRFFQIH-GHMZBOCLSA-N 1 0 281.316 -0.404 20 5 CBBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001317626483 817032671 /nfs/dbraw/zinc/03/26/71/817032671.db2.gz IYSLDWUZFVBVIO-UHFFFAOYSA-N 1 0 280.284 -0.372 20 5 CBBDRO C[C@@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC001318748126 817139250 /nfs/dbraw/zinc/13/92/50/817139250.db2.gz HNCKFAOSOPBTDH-BDAKNGLRSA-N 1 0 282.304 -0.215 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)n1 ZINC001320222552 817297181 /nfs/dbraw/zinc/29/71/81/817297181.db2.gz BEXKOWWXFHXYDK-LLVKDONJSA-N 1 0 283.288 -0.875 20 5 CBBDRO Cc1nn(C)c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001321134966 817447693 /nfs/dbraw/zinc/44/76/93/817447693.db2.gz CBFPSCRNUWPDSQ-GFCCVEGCSA-N 1 0 297.315 -0.567 20 5 CBBDRO O=[N+]([O-])c1cnc(N2CCOC[C@H](O)C2)nc1C1C[NH2+]C1 ZINC001164518283 819919757 /nfs/dbraw/zinc/91/97/57/819919757.db2.gz JOZMGVULTFMPPT-SECBINFHSA-N 1 0 295.299 -0.731 20 5 CBBDRO COc1nc(N2CCOCC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165287666 819949409 /nfs/dbraw/zinc/94/94/09/819949409.db2.gz KIXNCHFIBVAYPH-UHFFFAOYSA-N 1 0 281.272 -0.428 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1cc([N+](=O)[O-])ccn1 ZINC001165438219 819964238 /nfs/dbraw/zinc/96/42/38/819964238.db2.gz YIRADHXHOYLVIW-SECBINFHSA-N 1 0 266.257 -0.059 20 5 CBBDRO Cn1cc(-n2ccnc2CC[NH3+])cc([N+](=O)[O-])c1=O ZINC001166351907 819997921 /nfs/dbraw/zinc/99/79/21/819997921.db2.gz VNSUZNNHKVWZQN-UHFFFAOYSA-N 1 0 263.257 -0.020 20 5 CBBDRO COc1nc(N2C[C@@H]([NH3+])[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC001166927632 820045139 /nfs/dbraw/zinc/04/51/39/820045139.db2.gz GQJYPADUUDYSPK-NTSWFWBYSA-N 1 0 257.225 -0.121 20 5 CBBDRO COC(=O)c1ccnc(N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001166940100 820049579 /nfs/dbraw/zinc/04/95/79/820049579.db2.gz AAZJHLLYRBMWIC-QMMMGPOBSA-N 1 0 296.283 -0.060 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](C[NH3+])C1 ZINC001166939446 820049699 /nfs/dbraw/zinc/04/96/99/820049699.db2.gz DQQRRXAJKNRACS-QMMMGPOBSA-N 1 0 253.262 -0.264 20 5 CBBDRO COc1nc(N2CCO[C@@H](C[NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001166940116 820050570 /nfs/dbraw/zinc/05/05/70/820050570.db2.gz BBNRWQRFZLDZFK-ZETCQYMHSA-N 1 0 299.287 -0.434 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001166962370 820053313 /nfs/dbraw/zinc/05/33/13/820053313.db2.gz VOWBEQJAZBMWJT-APPZFPTMSA-N 1 0 282.256 -0.693 20 5 CBBDRO CS(=O)(=O)N(c1cc(N)c([N+](=O)[O-])cn1)C1C[NH2+]C1 ZINC001166968770 820058037 /nfs/dbraw/zinc/05/80/37/820058037.db2.gz LDAOBKGYPDNHES-UHFFFAOYSA-N 1 0 287.301 -0.690 20 5 CBBDRO [NH3+][C@H]1CN(c2c([N+](=O)[O-])cc[n+]([O-])c2Cl)C[C@H]1O ZINC001167088977 820068727 /nfs/dbraw/zinc/06/87/27/820068727.db2.gz KTTNWYBIKVIVGN-CAHLUQPWSA-N 1 0 274.664 -0.610 20 5 CBBDRO [NH3+][C@H]1CN(c2nc(Cl)ncc2[N+](=O)[O-])C[C@H]1O ZINC001167090173 820070546 /nfs/dbraw/zinc/07/05/46/820070546.db2.gz MODVYOBJLNSMMT-UJURSFKZSA-N 1 0 259.653 -0.454 20 5 CBBDRO COc1ccc(-n2nnc(CC[NH3+])n2)nc1[N+](=O)[O-] ZINC001167791276 820119103 /nfs/dbraw/zinc/11/91/03/820119103.db2.gz JRLQUKNOHWISOT-UHFFFAOYSA-N 1 0 265.233 -0.525 20 5 CBBDRO Nc1ccnc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001167790912 820119121 /nfs/dbraw/zinc/11/91/21/820119121.db2.gz RMPPXIOMOWVEPS-UHFFFAOYSA-N 1 0 250.222 -0.951 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2nnc(CC[NH3+])n2)n1 ZINC001167790674 820119142 /nfs/dbraw/zinc/11/91/42/820119142.db2.gz AVSJHEQVCCIZDA-UHFFFAOYSA-N 1 0 293.243 -0.747 20 5 CBBDRO [NH3+]CCc1nnn(-c2ncnc3[nH]cc([N+](=O)[O-])c32)n1 ZINC001167791919 820120236 /nfs/dbraw/zinc/12/02/36/820120236.db2.gz XAAJAMMXBGUNRX-UHFFFAOYSA-N 1 0 275.232 -0.657 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2nnc(CC[NH3+])n2)c1 ZINC001167792500 820120728 /nfs/dbraw/zinc/12/07/28/820120728.db2.gz GGKPDGLNKHATLY-UHFFFAOYSA-N 1 0 292.255 -0.142 20 5 CBBDRO N=C(NCCCC[NH3+])Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001167880460 820125366 /nfs/dbraw/zinc/12/53/66/820125366.db2.gz OQSSIUNXPYBKHW-UHFFFAOYSA-N 1 0 295.303 -0.236 20 5 CBBDRO NC(=[NH2+])c1nccn1-c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001168411909 820160634 /nfs/dbraw/zinc/16/06/34/820160634.db2.gz PMYQWCUVZUCVFF-UHFFFAOYSA-N 1 0 275.228 -0.442 20 5 CBBDRO NC(=[NH2+])c1nccn1-c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001168412081 820160706 /nfs/dbraw/zinc/16/07/06/820160706.db2.gz RYJBTJYAJKWOQQ-UHFFFAOYSA-N 1 0 275.228 -0.442 20 5 CBBDRO COc1ccc(-n2nnnc2C[NH3+])nc1[N+](=O)[O-] ZINC001168918378 820189223 /nfs/dbraw/zinc/18/92/23/820189223.db2.gz CBAPCJJOFHCIQH-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1nnnc1C[NH3+] ZINC001168920710 820192972 /nfs/dbraw/zinc/19/29/72/820192972.db2.gz WBBMBYAOIQFDGH-UHFFFAOYSA-N 1 0 278.228 -0.184 20 5 CBBDRO CS(=O)(=O)N1CC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168970866 820197797 /nfs/dbraw/zinc/19/77/97/820197797.db2.gz JBAKZKPCNZCATL-DTWKUNHWSA-N 1 0 277.346 -0.335 20 5 CBBDRO [NH3+]CCS(=O)(=O)N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966008 820197917 /nfs/dbraw/zinc/19/79/17/820197917.db2.gz FQRQRCXFZPNSGW-YUMQZZPRSA-N 1 0 251.308 -0.690 20 5 CBBDRO [NH3+]CCS(=O)(=O)N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966007 820197981 /nfs/dbraw/zinc/19/79/81/820197981.db2.gz FQRQRCXFZPNSGW-SFYZADRCSA-N 1 0 251.308 -0.690 20 5 CBBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001168972592 820197997 /nfs/dbraw/zinc/19/79/97/820197997.db2.gz NLIUTLADEPGGNH-RFHDDPBLSA-N 1 0 274.317 -0.876 20 5 CBBDRO CCOC(=O)CNC(=O)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168971352 820198016 /nfs/dbraw/zinc/19/80/16/820198016.db2.gz JOFLISULCAZKQP-UWVGGRQHSA-N 1 0 287.316 -0.299 20 5 CBBDRO O=C1C=CC(=O)N1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970952 820198062 /nfs/dbraw/zinc/19/80/62/820198062.db2.gz JIAMROZMSSGTTA-UWVGGRQHSA-N 1 0 267.285 -0.054 20 5 CBBDRO O=C1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C(=O)N1 ZINC001168975993 820198959 /nfs/dbraw/zinc/19/89/59/820198959.db2.gz YDMXYYUBJUGJAZ-YIZRAAEISA-N 1 0 255.274 -0.173 20 5 CBBDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979665 820199106 /nfs/dbraw/zinc/19/91/06/820199106.db2.gz ZICHFZIXPNSVQZ-UWVGGRQHSA-N 1 0 279.362 -0.087 20 5 CBBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)NCC(N)=O ZINC001168998640 820199887 /nfs/dbraw/zinc/19/98/87/820199887.db2.gz PGTVEZYUTAJFLD-DJLDLDEBSA-N 1 0 272.305 -0.989 20 5 CBBDRO O=C1COC[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035519 820201275 /nfs/dbraw/zinc/20/12/75/820201275.db2.gz BRRJJNIHAYTJDF-SRVKXCTJSA-N 1 0 283.328 -0.025 20 5 CBBDRO CN1CCN(C2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1=O ZINC001169036911 820201712 /nfs/dbraw/zinc/20/17/12/820201712.db2.gz QUMGFOFJHIGWBC-NEPJUHHUSA-N 1 0 296.371 -0.110 20 5 CBBDRO CN1CCN(C2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1=O ZINC001169036915 820202245 /nfs/dbraw/zinc/20/22/45/820202245.db2.gz QUMGFOFJHIGWBC-RYUDHWBXSA-N 1 0 296.371 -0.110 20 5 CBBDRO C=CC(=O)NCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001169804529 820264506 /nfs/dbraw/zinc/26/45/06/820264506.db2.gz GFRITUMVTSAKNJ-UHFFFAOYSA-N 1 0 292.299 -0.214 20 5 CBBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@H]1C[NH2+]CCO1 ZINC001170565218 820306612 /nfs/dbraw/zinc/30/66/12/820306612.db2.gz UKCPESCBKXOZME-GMSGAONNSA-N 1 0 295.299 -0.123 20 5 CBBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170771660 820315406 /nfs/dbraw/zinc/31/54/06/820315406.db2.gz DYNBERCVORMPSB-RNFRBKRXSA-N 1 0 288.691 -0.126 20 5 CBBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170774070 820317392 /nfs/dbraw/zinc/31/73/92/820317392.db2.gz UGZLZPNTEPYKGB-SFYZADRCSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170773714 820318347 /nfs/dbraw/zinc/31/83/47/820318347.db2.gz PKSQFGFCNWDXED-IONNQARKSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)cnc1[N+](=O)[O-] ZINC001170778791 820320116 /nfs/dbraw/zinc/32/01/16/820320116.db2.gz AUWHIXWQWBCWDS-VXNVDRBHSA-N 1 0 268.273 -0.009 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170779492 820322116 /nfs/dbraw/zinc/32/21/16/820322116.db2.gz JTKMUZQBEFMFIW-HTQZYQBOSA-N 1 0 254.246 -0.780 20 5 CBBDRO Nc1ccnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170780496 820322199 /nfs/dbraw/zinc/32/21/99/820322199.db2.gz UIIUQKWHVXHRID-HTRCEHHLSA-N 1 0 253.262 -0.436 20 5 CBBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170788903 820325549 /nfs/dbraw/zinc/32/55/49/820325549.db2.gz LDWZZCBMDVBNQX-XCBNKYQSSA-N 1 0 292.295 -0.170 20 5 CBBDRO CC[C@](N)(CO)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001170863823 820331088 /nfs/dbraw/zinc/33/10/88/820331088.db2.gz FNAZHFOGVIMHAP-LLVKDONJSA-N 1 0 282.304 -0.459 20 5 CBBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)C(N)=O ZINC001173219913 820399977 /nfs/dbraw/zinc/39/99/77/820399977.db2.gz QZYHSVWHMYHKMW-KWQFWETISA-N 1 0 267.285 -0.038 20 5 CBBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NCC(N)=O ZINC001173230618 820401243 /nfs/dbraw/zinc/40/12/43/820401243.db2.gz SDYCIBGQGKSKBS-VIFPVBQESA-N 1 0 294.311 -0.283 20 5 CBBDRO COC[C@](C)(CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001196868808 824170751 /nfs/dbraw/zinc/17/07/51/824170751.db2.gz DCAGBRDHOSMACZ-JTQLQIEISA-N 1 0 258.278 -0.222 20 5 CBBDRO CCN(CC)C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001205316958 824377732 /nfs/dbraw/zinc/37/77/32/824377732.db2.gz XMTPFGIJAHPAAN-LLVKDONJSA-N 1 0 275.369 -0.145 20 5 CBBDRO COC(=O)CN1C[C@H](OCCC[N+](C)(C)C)CC1=O ZINC001224622200 825244816 /nfs/dbraw/zinc/24/48/16/825244816.db2.gz GGGIYPNOZWUHLV-LLVKDONJSA-N 1 0 273.353 -0.127 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc(N)nc1 ZINC001225715235 825261012 /nfs/dbraw/zinc/26/10/12/825261012.db2.gz QMFOJTHTGWWNRT-MRVPVSSYSA-N 1 0 255.298 -0.579 20 5 CBBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n2ncnc2n1 ZINC001229312964 825329179 /nfs/dbraw/zinc/32/91/79/825329179.db2.gz ZQWZQUJTOIGIJQ-SNVBAGLBSA-N 1 0 294.335 -0.205 20 5 CBBDRO Cn1ccc(=O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234029173 825445865 /nfs/dbraw/zinc/44/58/65/825445865.db2.gz MBFKDXAXKXVECN-SNVBAGLBSA-N 1 0 269.321 -0.252 20 5 CBBDRO C[C@H](C[N+](C)(C)C)Oc1cn(C)c(=O)n(C)c1=O ZINC001234190382 825452868 /nfs/dbraw/zinc/45/28/68/825452868.db2.gz WRWRVZLQRNRJCF-SECBINFHSA-N 1 0 256.326 -0.443 20 5 CBBDRO CNC(=O)c1ncccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234653512 825477416 /nfs/dbraw/zinc/47/74/16/825477416.db2.gz XIXJARHRHYZAPS-SNVBAGLBSA-O 1 0 296.347 -0.196 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246857199 825722792 /nfs/dbraw/zinc/72/27/92/825722792.db2.gz LRQWMLSLTUUOFM-DCAQKATOSA-N 1 0 271.317 -0.121 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246857202 825723186 /nfs/dbraw/zinc/72/31/86/825723186.db2.gz LRQWMLSLTUUOFM-MXWKQRLJSA-N 1 0 271.317 -0.121 20 5 CBBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001254550049 825966403 /nfs/dbraw/zinc/96/64/03/825966403.db2.gz ZQDDBZOEFPKVCI-WPRPVWTQSA-N 1 0 294.311 -0.155 20 5 CBBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C(CO)(CO)CO)C2 ZINC001254580231 825967157 /nfs/dbraw/zinc/96/71/57/825967157.db2.gz BKWOSZWXRCPWTG-LLVKDONJSA-N 1 0 282.296 -0.633 20 5 CBBDRO NC(=O)CNC(=O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588681 825967356 /nfs/dbraw/zinc/96/73/56/825967356.db2.gz HUEVHDHHIAWRHZ-JTQLQIEISA-N 1 0 292.295 -0.747 20 5 CBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC001261491753 826524381 /nfs/dbraw/zinc/52/43/81/826524381.db2.gz FEVVIBPLZKWFLD-VIFPVBQESA-N 1 0 280.284 -0.375 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001261839610 826596093 /nfs/dbraw/zinc/59/60/93/826596093.db2.gz IOOZMQJXDKPLNT-ZETCQYMHSA-N 1 0 269.261 -0.886 20 5 CBBDRO CN(CCC[NH2+]Cc1cnon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268792136 827423647 /nfs/dbraw/zinc/42/36/47/827423647.db2.gz VSHIIFHJAVAAHF-NXEZZACHSA-N 1 0 283.288 -0.327 20 5 CBBDRO NC(=O)C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001274325013 827984127 /nfs/dbraw/zinc/98/41/27/827984127.db2.gz IWZHIKRSVYVGHT-UPHRSURJSA-N 1 0 292.295 -0.158 20 5 CBBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001326702507 885115193 /nfs/dbraw/zinc/11/51/93/885115193.db2.gz MCGZHRHPFDFFFQ-SFYZADRCSA-N 1 0 268.277 -0.476 20 5 CBBDRO C[C@@H]1C[NH2+]CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001334337802 887925444 /nfs/dbraw/zinc/92/54/44/887925444.db2.gz LKLQTMOIKKCTTR-KOLCDFICSA-N 1 0 269.305 -0.554 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC001341460187 889600692 /nfs/dbraw/zinc/60/06/92/889600692.db2.gz MSICMEDGYPTFOS-NSHDSACASA-N 1 0 285.304 -0.629 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C[C@H]2CO)c1 ZINC001175678147 884695171 /nfs/dbraw/zinc/69/51/71/884695171.db2.gz MLDUXHNVKMTHGO-ONGXEEELSA-N 1 0 268.273 -0.615 20 5 CBBDRO O=C(NCCCCCC[NH2+]CCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464730 884706821 /nfs/dbraw/zinc/70/68/21/884706821.db2.gz ZSHNIHDJOMZNKY-GHMZBOCLSA-N 1 0 273.333 -0.090 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCO1 ZINC001326086804 884901669 /nfs/dbraw/zinc/90/16/69/884901669.db2.gz FYGXZEATTGMKTO-APPZFPTMSA-N 1 0 283.288 -0.484 20 5 CBBDRO [NH3+]CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001326179474 884933667 /nfs/dbraw/zinc/93/36/67/884933667.db2.gz FVOXSHCGIZVHMO-UHFFFAOYSA-N 1 0 269.261 -0.756 20 5 CBBDRO NC(=O)[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326236788 884952315 /nfs/dbraw/zinc/95/23/15/884952315.db2.gz NZUHRFVQWGAZKI-UWVGGRQHSA-N 1 0 269.257 -0.936 20 5 CBBDRO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001326274938 884963257 /nfs/dbraw/zinc/96/32/57/884963257.db2.gz DVRRVWOIEQQPQG-VIFPVBQESA-N 1 0 280.284 -0.423 20 5 CBBDRO O=C(COc1ccc([N+](=O)[O-])c(CO)c1)N1CC[NH2+]CC1 ZINC001326806167 885157410 /nfs/dbraw/zinc/15/74/10/885157410.db2.gz QBXNHMOAHVWECX-UHFFFAOYSA-N 1 0 295.295 -0.102 20 5 CBBDRO O=C(NCC1=CC[NH2+]CC1)c1[nH]ncc1[N+](=O)[O-] ZINC001328505365 885707934 /nfs/dbraw/zinc/70/79/34/885707934.db2.gz ZUEKWUXYKGFRGX-UHFFFAOYSA-N 1 0 251.246 -0.033 20 5 CBBDRO C[NH+]1CCC(O)(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001328677393 885774835 /nfs/dbraw/zinc/77/48/35/885774835.db2.gz MPWHAHKPDKAOMN-UHFFFAOYSA-N 1 0 283.288 -0.496 20 5 CBBDRO CN(C[C@H](O)C[NH3+])C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001328711731 885789260 /nfs/dbraw/zinc/78/92/60/885789260.db2.gz HFWJZTLBZKMAAV-SNVBAGLBSA-N 1 0 296.283 -0.689 20 5 CBBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001329518838 886103823 /nfs/dbraw/zinc/10/38/23/886103823.db2.gz CMJGZYGSHIBLSG-BQBZGAKWSA-N 1 0 256.266 -0.572 20 5 CBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC001332412427 887267011 /nfs/dbraw/zinc/26/70/11/887267011.db2.gz CXZFQDZEQJVUIS-VIFPVBQESA-N 1 0 280.284 -0.375 20 5 CBBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1 ZINC001333037344 887508117 /nfs/dbraw/zinc/50/81/17/887508117.db2.gz DVUPXRHSSSKBAG-LLVKDONJSA-N 1 0 269.305 -0.600 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC(CO)(CO)C2)n1 ZINC001333621726 887721139 /nfs/dbraw/zinc/72/11/39/887721139.db2.gz FFBXGAFIOXAOHK-UHFFFAOYSA-N 1 0 270.289 -0.532 20 5 CBBDRO CS(=O)(=O)N1CC[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC001336304112 888740708 /nfs/dbraw/zinc/74/07/08/888740708.db2.gz TXEGTZVXTPLAPD-MRVPVSSYSA-N 1 0 251.308 -0.866 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015688 889365030 /nfs/dbraw/zinc/36/50/30/889365030.db2.gz FBYNRPMZSNOYTI-BDAKNGLRSA-N 1 0 295.299 -0.089 20 5 CBBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001340491448 889439960 /nfs/dbraw/zinc/43/99/60/889439960.db2.gz MJBZFDWXRSQKNA-JTQLQIEISA-N 1 0 282.300 -0.006 20 5 CBBDRO C[C@@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC(=O)N1 ZINC001345619315 890146575 /nfs/dbraw/zinc/14/65/75/890146575.db2.gz RESADNWSJQIVBO-JQWIXIFHSA-N 1 0 297.315 -0.590 20 5 CBBDRO CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC001346541450 890319845 /nfs/dbraw/zinc/31/98/45/890319845.db2.gz QKBWBRCBVKKTTC-ZETCQYMHSA-N 1 0 271.277 -0.797 20 5 CBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1[nH]ncc1[N+](=O)[O-] ZINC001349271276 890786240 /nfs/dbraw/zinc/78/62/40/890786240.db2.gz JRJJZNDNCVQLCV-LURJTMIESA-N 1 0 255.234 -0.964 20 5 CBBDRO CS(=O)(=O)CCN1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC001356100611 891729516 /nfs/dbraw/zinc/72/95/16/891729516.db2.gz QBZGATDWVBNYLI-UHFFFAOYSA-N 1 0 279.362 -0.638 20 5 CBBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1CO ZINC001358026003 891958176 /nfs/dbraw/zinc/95/81/76/891958176.db2.gz CCMHSLSLMRYHGO-LBPRGKRZSA-N 1 0 279.296 -0.070 20 5 CBBDRO Nc1nc(NCC[NH+]2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC001458389530 914650535 /nfs/dbraw/zinc/65/05/35/914650535.db2.gz WYYXDMDUNABZPR-UHFFFAOYSA-N 1 0 282.304 -0.164 20 5 CBBDRO C[N@@H+]1CCC[C@@H]1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001458892557 914688910 /nfs/dbraw/zinc/68/89/10/914688910.db2.gz JQQOQCPZZKWNIP-MRVPVSSYSA-N 1 0 280.284 -0.050 20 5 CBBDRO CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001502494241 921360780 /nfs/dbraw/zinc/36/07/80/921360780.db2.gz AKYBNSQIVMCKRT-NXEZZACHSA-N 1 0 298.343 -0.502 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472083586 915690836 /nfs/dbraw/zinc/69/08/36/915690836.db2.gz ODHJUHFIHIUZNK-FXBDTBDDSA-N 1 0 255.274 -0.759 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001473538948 915831211 /nfs/dbraw/zinc/83/12/11/915831211.db2.gz ZVCKJVAZXZSONQ-KOLCDFICSA-N 1 0 283.284 -0.959 20 5 CBBDRO CN(CC[N@H+](C)CCO)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001557695438 924130184 /nfs/dbraw/zinc/13/01/84/924130184.db2.gz UDMGNQNWRQUWFO-UHFFFAOYSA-N 1 0 271.277 -0.686 20 5 CBBDRO CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](CO)C1 ZINC001557712387 924132106 /nfs/dbraw/zinc/13/21/06/924132106.db2.gz XXZQTBRLAMABLF-VIFPVBQESA-N 1 0 294.311 -0.075 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558548366 924180886 /nfs/dbraw/zinc/18/08/86/924180886.db2.gz AZHONVQYCMAFPS-SECBINFHSA-N 1 0 295.299 -0.619 20 5 CBBDRO C[C@@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000124504632 187140724 /nfs/dbraw/zinc/14/07/24/187140724.db2.gz XFWDKEFPGLIUNT-SECBINFHSA-N 1 0 280.284 -0.423 20 5 CBBDRO C[NH+](C)CCCNC(=O)Cn1cccc([N+](=O)[O-])c1=O ZINC000124565117 187143459 /nfs/dbraw/zinc/14/34/59/187143459.db2.gz YRKGMHDWMZQOKN-UHFFFAOYSA-N 1 0 282.300 -0.176 20 5 CBBDRO CC(C)[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000269241028 190480739 /nfs/dbraw/zinc/48/07/39/190480739.db2.gz CQBTYRUURQGKGZ-SNVBAGLBSA-N 1 0 282.300 -0.144 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCC1 ZINC000337724418 214235211 /nfs/dbraw/zinc/23/52/11/214235211.db2.gz RZKZITGCCITNMZ-UHFFFAOYSA-N 1 0 282.304 -0.204 20 5 CBBDRO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CC([NH3+])C1 ZINC000294970473 199276374 /nfs/dbraw/zinc/27/63/74/199276374.db2.gz XKLRKNCIZHNXHY-UHFFFAOYSA-N 1 0 253.262 -0.261 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[NH2+]C1 ZINC000126846357 187265454 /nfs/dbraw/zinc/26/54/54/187265454.db2.gz QOOWJTQBPSZHCH-MRVPVSSYSA-N 1 0 253.262 -0.341 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000351829397 219218151 /nfs/dbraw/zinc/21/81/51/219218151.db2.gz BDSDGIPHAGDOFA-RKDXNWHRSA-N 1 0 267.289 -0.013 20 5 CBBDRO CC(C)[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000092394797 180376527 /nfs/dbraw/zinc/37/65/27/180376527.db2.gz XTQCMHIDUSYWPG-WDEREUQCSA-N 1 0 272.305 -0.241 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000339782175 215337873 /nfs/dbraw/zinc/33/78/73/215337873.db2.gz WXKGXNOSZBQAGF-NEPJUHHUSA-N 1 0 284.316 -0.001 20 5 CBBDRO CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037888174 351409948 /nfs/dbraw/zinc/40/99/48/351409948.db2.gz OHTZDYFKOQFSTR-WCBMZHEXSA-N 1 0 258.278 -0.487 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000040507971 351417248 /nfs/dbraw/zinc/41/72/48/351417248.db2.gz XGBSMDJQFQVQGE-UHFFFAOYSA-N 1 0 295.299 -0.905 20 5 CBBDRO Cn1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000041159583 351422660 /nfs/dbraw/zinc/42/26/60/351422660.db2.gz WJVRCFBCKIDFAT-NSHDSACASA-N 1 0 280.288 -0.325 20 5 CBBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N(C)C ZINC000049098043 351485867 /nfs/dbraw/zinc/48/58/67/351485867.db2.gz XFIBXYMKNIVVIT-WCBMZHEXSA-N 1 0 285.304 -0.782 20 5 CBBDRO CC(C)C[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000052960257 351524181 /nfs/dbraw/zinc/52/41/81/351524181.db2.gz NOMOHNUMYMZPLO-UHFFFAOYSA-N 1 0 296.331 -0.014 20 5 CBBDRO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081035501 351703180 /nfs/dbraw/zinc/70/31/80/351703180.db2.gz UDBMVQSVNDNUIZ-NWDGAFQWSA-N 1 0 283.328 -0.025 20 5 CBBDRO CCNC(=O)C[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075598041 351668060 /nfs/dbraw/zinc/66/80/60/351668060.db2.gz KZJSVSZXWWWBNB-NSHDSACASA-N 1 0 299.331 -0.390 20 5 CBBDRO CN1CC[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000075752623 351670973 /nfs/dbraw/zinc/67/09/73/351670973.db2.gz GCMHBXPWGNENKT-WDEREUQCSA-N 1 0 297.315 -0.685 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2CO)c1 ZINC000075716053 351671613 /nfs/dbraw/zinc/67/16/13/351671613.db2.gz XSIBUVVPAZYNGT-KOLCDFICSA-N 1 0 270.289 -0.391 20 5 CBBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C(CO)CO)cc1 ZINC000087753309 351723309 /nfs/dbraw/zinc/72/33/09/351723309.db2.gz RIBKXOAGYSYAGO-UHFFFAOYSA-N 1 0 256.258 -0.084 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(CCO)CC2)c1 ZINC000097818117 351779739 /nfs/dbraw/zinc/77/97/39/351779739.db2.gz YEOMASSKKFDVKI-NSHDSACASA-N 1 0 284.316 -0.096 20 5 CBBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C[NH3+])C1 ZINC000122584363 351852770 /nfs/dbraw/zinc/85/27/70/351852770.db2.gz JHMFFUWMRHHEBO-MRVPVSSYSA-N 1 0 268.273 -0.097 20 5 CBBDRO [NH3+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000122457589 187033441 /nfs/dbraw/zinc/03/34/41/187033441.db2.gz BIFURIBEXOZEOP-UHFFFAOYSA-N 1 0 251.289 -0.107 20 5 CBBDRO [NH3+]CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122456875 187033541 /nfs/dbraw/zinc/03/35/41/187033541.db2.gz LZXNHULSHRPOEA-UHFFFAOYSA-N 1 0 263.250 -0.029 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[NH2+]C1CC1 ZINC000151492499 351935343 /nfs/dbraw/zinc/93/53/43/351935343.db2.gz LWBIIIUAWZSSQU-UHFFFAOYSA-N 1 0 253.262 -0.341 20 5 CBBDRO CC[C@H](CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134393168 351905103 /nfs/dbraw/zinc/90/51/03/351905103.db2.gz XPJKEZZCBWIREF-MWLCHTKSSA-N 1 0 272.305 -0.097 20 5 CBBDRO CCC[C@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134409324 351905657 /nfs/dbraw/zinc/90/56/57/351905657.db2.gz ZJAQLZIMRZKXND-QWRGUYRKSA-N 1 0 272.305 -0.097 20 5 CBBDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134409388 351905745 /nfs/dbraw/zinc/90/57/45/351905745.db2.gz ZJAQLZIMRZKXND-GHMZBOCLSA-N 1 0 272.305 -0.097 20 5 CBBDRO CC[C@H](O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135043627 351911251 /nfs/dbraw/zinc/91/12/51/351911251.db2.gz ZBYFAAPDNBZTCR-QWRGUYRKSA-N 1 0 272.305 -0.097 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000159113044 351960832 /nfs/dbraw/zinc/96/08/32/351960832.db2.gz SSTARJRCWNGEQV-SECBINFHSA-N 1 0 267.289 -0.047 20 5 CBBDRO CCC[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658245 352049849 /nfs/dbraw/zinc/04/98/49/352049849.db2.gz CFACLRWXHQWGJY-NSHDSACASA-N 1 0 272.305 -0.144 20 5 CBBDRO COC(=O)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176229700 352063466 /nfs/dbraw/zinc/06/34/66/352063466.db2.gz AUUOHABAFJMICG-SECBINFHSA-N 1 0 284.272 -0.335 20 5 CBBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000173343301 352036270 /nfs/dbraw/zinc/03/62/70/352036270.db2.gz KQGGEECLPNTXGR-UWVGGRQHSA-N 1 0 299.331 -0.358 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000173365744 352036452 /nfs/dbraw/zinc/03/64/52/352036452.db2.gz CCJMQDKFHNTXMF-DGCLKSJQSA-N 1 0 295.343 -0.068 20 5 CBBDRO CCC[N@@H+](CC(=O)NC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173556335 352039290 /nfs/dbraw/zinc/03/92/90/352039290.db2.gz GQEBADFMFMINHS-NSHDSACASA-N 1 0 299.331 -0.390 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000186783733 352131696 /nfs/dbraw/zinc/13/16/96/352131696.db2.gz YWLVQTFFFGLTPC-USWWRNFRSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000186820296 352132566 /nfs/dbraw/zinc/13/25/66/352132566.db2.gz BUCRDJPIUVKGFK-BDAKNGLRSA-N 1 0 267.289 -0.095 20 5 CBBDRO C[C@@H]1C(=O)N(C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000186934177 352134143 /nfs/dbraw/zinc/13/41/43/352134143.db2.gz RPWNIWADJOUSQK-KOLCDFICSA-N 1 0 297.315 -0.685 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[NH2+]1 ZINC000178738634 352082863 /nfs/dbraw/zinc/08/28/63/352082863.db2.gz NZACEIXVKVJPBW-MRVPVSSYSA-N 1 0 253.262 -0.341 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[NH2+]1 ZINC000188415105 352151399 /nfs/dbraw/zinc/15/13/99/352151399.db2.gz AIEGGXKRUFRSLY-SECBINFHSA-N 1 0 280.284 -0.423 20 5 CBBDRO C[N@H+]1C[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000192523095 352197822 /nfs/dbraw/zinc/19/78/22/352197822.db2.gz CHGYDZOZHRFYTB-AOOOYVTPSA-N 1 0 279.300 -0.189 20 5 CBBDRO C[C@@H](O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000189401196 352169427 /nfs/dbraw/zinc/16/94/27/352169427.db2.gz JNDKXCGIXZOKQX-LLVKDONJSA-N 1 0 283.332 -0.210 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000190906703 352184967 /nfs/dbraw/zinc/18/49/67/352184967.db2.gz JUQJNGNJBWVYKM-SCVCMEIPSA-N 1 0 284.316 -0.288 20 5 CBBDRO C[C@H](O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000190919020 352185166 /nfs/dbraw/zinc/18/51/66/352185166.db2.gz NDNZQPUZEQHOCY-UWVGGRQHSA-N 1 0 272.305 -0.145 20 5 CBBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CCO ZINC000187696486 352141378 /nfs/dbraw/zinc/14/13/78/352141378.db2.gz KYACOVYKPWDWAA-NSHDSACASA-N 1 0 283.332 -0.210 20 5 CBBDRO Cc1c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000226382647 352252223 /nfs/dbraw/zinc/25/22/23/352252223.db2.gz LEIVTMZGWVGGTD-LBPRGKRZSA-N 1 0 294.315 -0.016 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCC[NH2+]C1 ZINC000238142979 352314614 /nfs/dbraw/zinc/31/46/14/352314614.db2.gz BKTSQAKWFGFIQC-VIFPVBQESA-N 1 0 280.284 -0.375 20 5 CBBDRO C[NH2+][C@H](C)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000261739982 352395254 /nfs/dbraw/zinc/39/52/54/352395254.db2.gz MJRDITHTZNPBQK-MRVPVSSYSA-N 1 0 255.278 -0.095 20 5 CBBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261924172 352401035 /nfs/dbraw/zinc/40/10/35/352401035.db2.gz ZZKIMBQMYTWOOI-IUCAKERBSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[C@H](CO)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](C)O ZINC000248885720 352357762 /nfs/dbraw/zinc/35/77/62/352357762.db2.gz DXRGRXIZCHQSOF-MNOVXSKESA-N 1 0 299.327 -0.180 20 5 CBBDRO COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1[N+](=O)[O-] ZINC000269256159 352464969 /nfs/dbraw/zinc/46/49/69/352464969.db2.gz PBHCMYDEPHYRQS-ZJUUUORDSA-N 1 0 295.295 -0.058 20 5 CBBDRO Nc1c(C(=O)N2CCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000274724528 352544172 /nfs/dbraw/zinc/54/41/72/352544172.db2.gz BRXHUDPYKGQDOH-MRVPVSSYSA-N 1 0 280.284 -0.023 20 5 CBBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000270805812 352502082 /nfs/dbraw/zinc/50/20/82/352502082.db2.gz VMZJXYZDPNZQDL-QMMMGPOBSA-N 1 0 283.288 -0.232 20 5 CBBDRO CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000271011003 352506871 /nfs/dbraw/zinc/50/68/71/352506871.db2.gz ZTRCZUQHSIEYRD-YUSALJHKSA-N 1 0 284.316 -0.145 20 5 CBBDRO COC[C@H]1CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516160 352693367 /nfs/dbraw/zinc/69/33/67/352693367.db2.gz IJIWMWSMMXDVDX-MWLCHTKSSA-N 1 0 270.289 -0.127 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)C1CC1 ZINC000304788102 352747423 /nfs/dbraw/zinc/74/74/23/352747423.db2.gz QBJUAQXSWKBRAO-VXGBXAGGSA-N 1 0 284.316 -0.145 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2COCCOC2)c1 ZINC000313533003 352777390 /nfs/dbraw/zinc/77/73/90/352777390.db2.gz NCERFZVKARVOKT-LLVKDONJSA-N 1 0 286.288 -0.843 20 5 CBBDRO C[NH+]1CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000330473546 352830490 /nfs/dbraw/zinc/83/04/90/352830490.db2.gz HQPYWGDQYSSOIQ-UHFFFAOYSA-N 1 0 296.331 -0.845 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)C2CCC2)c1 ZINC000315851267 352780953 /nfs/dbraw/zinc/78/09/53/352780953.db2.gz FVTVKSQFKCWZQZ-NEPJUHHUSA-N 1 0 284.316 -0.097 20 5 CBBDRO CO[C@H]1C[C@@H](CO)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330557252 352847954 /nfs/dbraw/zinc/84/79/54/352847954.db2.gz WHSYBHGGRHAETD-ONGXEEELSA-N 1 0 270.289 -0.127 20 5 CBBDRO C[C@H]1C[N@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256444 352897631 /nfs/dbraw/zinc/89/76/31/352897631.db2.gz WKMZPVSXSYSIOG-JQWIXIFHSA-N 1 0 283.332 -0.212 20 5 CBBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000150755185 187925695 /nfs/dbraw/zinc/92/56/95/187925695.db2.gz OUBWGIAFGWRTPN-VXGBXAGGSA-N 1 0 294.311 -0.154 20 5 CBBDRO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C[NH+](C)C ZINC000341230149 353205917 /nfs/dbraw/zinc/20/59/17/353205917.db2.gz PSNMOJNKLCXLFH-QMMMGPOBSA-N 1 0 270.293 -0.500 20 5 CBBDRO [NH3+]C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000342584138 353223166 /nfs/dbraw/zinc/22/31/66/353223166.db2.gz HUPITGPPTYPZDX-UHFFFAOYSA-N 1 0 280.284 -0.246 20 5 CBBDRO CC(C)[C@@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000292531804 198322616 /nfs/dbraw/zinc/32/26/16/198322616.db2.gz RGKVJIUYUFWUCH-SECBINFHSA-N 1 0 255.278 -0.109 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)CC2CC2)c1 ZINC000352469826 353486340 /nfs/dbraw/zinc/48/63/40/353486340.db2.gz ZOEQUSXEQDOEGB-GFCCVEGCSA-N 1 0 284.316 -0.144 20 5 CBBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353962692 353536613 /nfs/dbraw/zinc/53/66/13/353536613.db2.gz TYQZKINMYZHTDL-QMMMGPOBSA-N 1 0 270.293 -0.357 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000354689422 353578295 /nfs/dbraw/zinc/57/82/95/353578295.db2.gz WNKBFQBSMIKHQY-SNVBAGLBSA-N 1 0 269.261 -0.886 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000358056212 353622620 /nfs/dbraw/zinc/62/26/20/353622620.db2.gz ZWVNSVALGUWFPQ-LLVKDONJSA-N 1 0 268.273 -0.281 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000358080969 353625532 /nfs/dbraw/zinc/62/55/32/353625532.db2.gz QSKLAPISBDDRLF-GFCCVEGCSA-N 1 0 295.299 -0.632 20 5 CBBDRO C[NH+](C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000358286160 353635795 /nfs/dbraw/zinc/63/57/95/353635795.db2.gz HUFJMMWUXRJXRK-SECBINFHSA-N 1 0 282.304 -0.357 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000358324664 353638298 /nfs/dbraw/zinc/63/82/98/353638298.db2.gz UUEDIVCJUNDTAM-JTQLQIEISA-N 1 0 253.262 -0.137 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000358486688 353647632 /nfs/dbraw/zinc/64/76/32/353647632.db2.gz UYYYELJUJGXTAO-GFCCVEGCSA-N 1 0 295.299 -0.400 20 5 CBBDRO CC(C)(C(=O)N1CCO[C@@H](C[NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000358499744 353648133 /nfs/dbraw/zinc/64/81/33/353648133.db2.gz RDIXQWFHRIEZKY-JTQLQIEISA-N 1 0 297.315 -0.288 20 5 CBBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])C2)CC1 ZINC000371597494 353704180 /nfs/dbraw/zinc/70/41/80/353704180.db2.gz QNNFJNROQVMJEB-AGIUHOORSA-N 1 0 296.371 -0.110 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372589483 353719778 /nfs/dbraw/zinc/71/97/78/353719778.db2.gz UHYLEGFYOBBUKV-WYUUTHIRSA-N 1 0 283.328 -0.291 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+]2CCC1CC2 ZINC000408278557 353886230 /nfs/dbraw/zinc/88/62/30/353886230.db2.gz XDZPIEDSSKXQHH-UHFFFAOYSA-N 1 0 280.288 -0.507 20 5 CBBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000446400410 354287715 /nfs/dbraw/zinc/28/77/15/354287715.db2.gz JXPVBOZMARJSMW-YUMQZZPRSA-N 1 0 268.277 -0.428 20 5 CBBDRO CCn1cc(S(=O)(=O)NC[C@@H](C)C[NH3+])c([N+](=O)[O-])n1 ZINC000447239509 354293689 /nfs/dbraw/zinc/29/36/89/354293689.db2.gz NICXVXRROIWVII-ZETCQYMHSA-N 1 0 291.333 -0.316 20 5 CBBDRO C[C@@H](O)C[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000444655595 354275448 /nfs/dbraw/zinc/27/54/48/354275448.db2.gz WXTKMRKFQBTXFL-SNVBAGLBSA-N 1 0 283.332 -0.173 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445207101 354280526 /nfs/dbraw/zinc/28/05/26/354280526.db2.gz BTWBDDAQXJXPGG-GFCCVEGCSA-N 1 0 296.283 -0.508 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495120304 354498216 /nfs/dbraw/zinc/49/82/16/354498216.db2.gz NCSOXFNXGZYWAR-GDGBQDQQSA-N 1 0 278.268 -0.910 20 5 CBBDRO CC[C@@]1(O)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194073 354499520 /nfs/dbraw/zinc/49/95/20/354499520.db2.gz NNGSRXUOCYYIJJ-VXGBXAGGSA-N 1 0 284.316 -0.001 20 5 CBBDRO C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000546103499 354651210 /nfs/dbraw/zinc/65/12/10/354651210.db2.gz CQLVOSLTFGABDJ-RYUDHWBXSA-N 1 0 284.316 -0.001 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000563137187 354698353 /nfs/dbraw/zinc/69/83/53/354698353.db2.gz ASSBVRXVFYNERZ-HOSYDEDBSA-N 1 0 298.295 -0.316 20 5 CBBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000567912580 354805187 /nfs/dbraw/zinc/80/51/87/354805187.db2.gz QRPBHLFQHGFHPB-REMFIFCHSA-N 1 0 294.315 -0.182 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1C[NH2+]CCC1(F)F ZINC000573372576 354911299 /nfs/dbraw/zinc/91/12/99/354911299.db2.gz SKIDVBJCAZTFIF-QMMMGPOBSA-N 1 0 289.242 -0.095 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000584530136 355030724 /nfs/dbraw/zinc/03/07/24/355030724.db2.gz MZVPPZVCQAOOML-JFGNBEQYSA-N 1 0 284.316 -0.097 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000590005471 355072307 /nfs/dbraw/zinc/07/23/07/355072307.db2.gz ZGSLXJNKZGVLBZ-URLYPYJESA-N 1 0 252.274 -0.039 20 5 CBBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000590444954 355080905 /nfs/dbraw/zinc/08/09/05/355080905.db2.gz OJFQGWXGKHSYFP-ZJUUUORDSA-N 1 0 279.300 -0.046 20 5 CBBDRO CN1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733997 355111805 /nfs/dbraw/zinc/11/18/05/355111805.db2.gz UAEOUMYFDIOYHZ-PWSUYJOCSA-N 1 0 283.332 -0.164 20 5 CBBDRO CN1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733996 355112276 /nfs/dbraw/zinc/11/22/76/355112276.db2.gz UAEOUMYFDIOYHZ-JQWIXIFHSA-N 1 0 283.332 -0.164 20 5 CBBDRO C[C@H]([NH3+])CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000592547238 355161109 /nfs/dbraw/zinc/16/11/09/355161109.db2.gz UKGSARGPBAHBNE-ZETCQYMHSA-N 1 0 255.278 -0.010 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592553356 355162424 /nfs/dbraw/zinc/16/24/24/355162424.db2.gz JUXMRWJNWOMBIE-MRVPVSSYSA-N 1 0 297.271 -0.705 20 5 CBBDRO NS(=O)(=O)c1ccc(OCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000592158496 355135500 /nfs/dbraw/zinc/13/55/00/355135500.db2.gz IDMUKJOQPVLSNQ-UHFFFAOYSA-N 1 0 287.297 -0.160 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000592310030 355147472 /nfs/dbraw/zinc/14/74/72/355147472.db2.gz VFJZZPSDPYVYHN-WCBMZHEXSA-N 1 0 297.315 -0.001 20 5 CBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH3+] ZINC000592363156 355150089 /nfs/dbraw/zinc/15/00/89/355150089.db2.gz GLCBJMNVXCJBQA-UHFFFAOYSA-N 1 0 275.286 -0.160 20 5 CBBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592369376 355150132 /nfs/dbraw/zinc/15/01/32/355150132.db2.gz UIWLJWHJIITMRP-ZETCQYMHSA-N 1 0 274.302 -0.043 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000592477203 355156019 /nfs/dbraw/zinc/15/60/19/355156019.db2.gz SLURAZXATHXFNB-SCZZXKLOSA-N 1 0 283.288 -0.634 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000592477206 355156272 /nfs/dbraw/zinc/15/62/72/355156272.db2.gz SLURAZXATHXFNB-WPRPVWTQSA-N 1 0 283.288 -0.634 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000592475520 355156457 /nfs/dbraw/zinc/15/64/57/355156457.db2.gz LWIYOCAHBALZFA-UWVGGRQHSA-N 1 0 269.305 -0.161 20 5 CBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1 ZINC000595112124 355271327 /nfs/dbraw/zinc/27/13/27/355271327.db2.gz SSZRLLZWPWGPDJ-MBTKJCJQSA-N 1 0 284.297 -0.514 20 5 CBBDRO [NH3+][C@@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694784 355258058 /nfs/dbraw/zinc/25/80/58/355258058.db2.gz SZNCBGQSPKCJBP-NKWVEPMBSA-N 1 0 283.313 -0.201 20 5 CBBDRO C[NH2+]C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000595981527 355334650 /nfs/dbraw/zinc/33/46/50/355334650.db2.gz DUJWBPDINALHPF-MRVPVSSYSA-N 1 0 255.278 -0.095 20 5 CBBDRO CN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000595784366 355307440 /nfs/dbraw/zinc/30/74/40/355307440.db2.gz TUXYYUXVZZEBSL-LLVKDONJSA-N 1 0 297.315 -0.684 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC3(COC3)C2)c1 ZINC000595832159 355310825 /nfs/dbraw/zinc/31/08/25/355310825.db2.gz CRCAHUKYZIBYRK-LLVKDONJSA-N 1 0 282.300 -0.126 20 5 CBBDRO [NH3+]CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000595900404 355315707 /nfs/dbraw/zinc/31/57/07/355315707.db2.gz FLTNDESSFKHUPE-LBPRGKRZSA-N 1 0 269.301 -0.291 20 5 CBBDRO [NH3+]CCN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)CO ZINC000595902182 355316904 /nfs/dbraw/zinc/31/69/04/355316904.db2.gz LCWZQDZSJJJNSP-NSHDSACASA-N 1 0 269.301 -0.291 20 5 CBBDRO [NH3+]CCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)CO ZINC000595901709 355316970 /nfs/dbraw/zinc/31/69/70/355316970.db2.gz IBIBJUOKSOSAPE-LLVKDONJSA-N 1 0 287.291 -0.152 20 5 CBBDRO C[C@@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC[NH2+]C1 ZINC000595992009 355337012 /nfs/dbraw/zinc/33/70/12/355337012.db2.gz NEXLBFXJOOFZTF-SNVBAGLBSA-N 1 0 253.262 -0.341 20 5 CBBDRO CN(CC(C)(C)[NH3+])C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000595960464 355329508 /nfs/dbraw/zinc/32/95/08/355329508.db2.gz FVVHJSJHNDOSCZ-UHFFFAOYSA-N 1 0 255.278 -0.013 20 5 CBBDRO CN(CC(C)(C)[NH3+])C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000595960366 355329660 /nfs/dbraw/zinc/32/96/60/355329660.db2.gz DELLNADEQMGGDD-UHFFFAOYSA-N 1 0 255.278 -0.013 20 5 CBBDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000596066259 355339970 /nfs/dbraw/zinc/33/99/70/355339970.db2.gz AREXGPKOWWZXOO-FXPVBKGRSA-N 1 0 298.299 -0.307 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+](C)C)n1 ZINC000597655571 355404617 /nfs/dbraw/zinc/40/46/17/355404617.db2.gz YPZBUPOGESUKJE-QMMMGPOBSA-N 1 0 285.304 -0.537 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598161304 355433524 /nfs/dbraw/zinc/43/35/24/355433524.db2.gz QPXVLEDQXUBAAO-UHFFFAOYSA-N 1 0 253.262 -0.049 20 5 CBBDRO CC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)[NH2+]1 ZINC000598536797 355444586 /nfs/dbraw/zinc/44/45/86/355444586.db2.gz XHKZFDGLPCKCAH-DTWKUNHWSA-N 1 0 282.304 -0.215 20 5 CBBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599095227 355463348 /nfs/dbraw/zinc/46/33/48/355463348.db2.gz BKEGBWCZBJEUCJ-ZETCQYMHSA-N 1 0 289.317 -0.689 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH2+]C2CC2)n1 ZINC000599097497 355463415 /nfs/dbraw/zinc/46/34/15/355463415.db2.gz JNAQOSWLLQPARU-UHFFFAOYSA-N 1 0 289.317 -0.641 20 5 CBBDRO CN1CCOC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000599160804 355467473 /nfs/dbraw/zinc/46/74/73/355467473.db2.gz OKLIWIPIJANLLS-VIFPVBQESA-N 1 0 295.299 -0.169 20 5 CBBDRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccncc1[N+](=O)[O-] ZINC000599614956 355504399 /nfs/dbraw/zinc/50/43/99/355504399.db2.gz WPIQFYQSCJRZIB-QMMMGPOBSA-N 1 0 281.272 -0.478 20 5 CBBDRO NC(=O)c1ccnc(NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176019 355470002 /nfs/dbraw/zinc/47/00/02/355470002.db2.gz OKHIAWRGIODUPT-MRVPVSSYSA-N 1 0 295.299 -0.433 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@@H](O)C1 ZINC000599670376 355508089 /nfs/dbraw/zinc/50/80/89/355508089.db2.gz FGCPQDXXUYDYHF-WCQGTBRESA-N 1 0 284.316 -0.145 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1 ZINC000600001118 355523712 /nfs/dbraw/zinc/52/37/12/355523712.db2.gz ZCROHAACGJBXRE-VROVMSAKSA-N 1 0 279.300 -0.040 20 5 CBBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1[N+](=O)[O-] ZINC000602589346 355662927 /nfs/dbraw/zinc/66/29/27/355662927.db2.gz UROKDTNYRNCNLE-YUMQZZPRSA-N 1 0 265.273 -0.177 20 5 CBBDRO C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000602625585 355665525 /nfs/dbraw/zinc/66/55/25/355665525.db2.gz TXEOQUOFCOXKHH-SNVBAGLBSA-N 1 0 283.332 -0.173 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601973328 355623678 /nfs/dbraw/zinc/62/36/78/355623678.db2.gz KMSUOHVKUNXNAZ-JFGNBEQYSA-N 1 0 282.300 -0.270 20 5 CBBDRO CC[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C ZINC000611088430 355793642 /nfs/dbraw/zinc/79/36/42/355793642.db2.gz VBSXFFCRNSCEMG-SECBINFHSA-N 1 0 282.304 -0.261 20 5 CBBDRO C[NH+]1CC2(C1)CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C2 ZINC000619251587 356213025 /nfs/dbraw/zinc/21/30/25/356213025.db2.gz CGWMRVLVPCDNDZ-UHFFFAOYSA-N 1 0 279.300 -0.045 20 5 CBBDRO CCC[N@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658261 188912051 /nfs/dbraw/zinc/91/20/51/188912051.db2.gz CFACLRWXHQWGJY-LLVKDONJSA-N 1 0 272.305 -0.144 20 5 CBBDRO [NH3+]C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000178167886 189094901 /nfs/dbraw/zinc/09/49/01/189094901.db2.gz AWUPAWXSGZJLHW-VIFPVBQESA-N 1 0 253.262 -0.355 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179071492 189166386 /nfs/dbraw/zinc/16/63/86/189166386.db2.gz KIFMIIOSUURAKD-SECBINFHSA-N 1 0 267.289 -0.080 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC([NH+](C)C)C1 ZINC000342142829 216235968 /nfs/dbraw/zinc/23/59/68/216235968.db2.gz UUNCDVILINXYGK-UHFFFAOYSA-N 1 0 253.262 -0.286 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000343896010 216967091 /nfs/dbraw/zinc/96/70/91/216967091.db2.gz WFRAYBXOCGDQKK-VIFPVBQESA-N 1 0 267.289 -0.093 20 5 CBBDRO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C[NH3+])C1 ZINC000574400359 335016526 /nfs/dbraw/zinc/01/65/26/335016526.db2.gz IILYQZYNURQACP-JGVFFNPUSA-N 1 0 283.288 -0.104 20 5 CBBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]12 ZINC000248694101 372892451 /nfs/dbraw/zinc/89/24/51/372892451.db2.gz YIWORVQUTBKBER-KXUCPTDWSA-N 1 0 279.300 -0.013 20 5 CBBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC000248586078 189949558 /nfs/dbraw/zinc/94/95/58/189949558.db2.gz GDIMCROPUZEUFC-INTQDDNPSA-N 1 0 279.300 -0.013 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000554744084 374283071 /nfs/dbraw/zinc/28/30/71/374283071.db2.gz WBDPDCHIKUVTOO-KOLCDFICSA-N 1 0 270.289 -0.534 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554895071 374285161 /nfs/dbraw/zinc/28/51/61/374285161.db2.gz LFMSWZHACXOVNN-SNVBAGLBSA-N 1 0 271.277 -0.640 20 5 CBBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000262339755 190053371 /nfs/dbraw/zinc/05/33/71/190053371.db2.gz HSTOREMPEISMNE-SECBINFHSA-N 1 0 280.284 -0.023 20 5 CBBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](O)C[NH2+]1 ZINC000262471594 190055680 /nfs/dbraw/zinc/05/56/80/190055680.db2.gz ZCNZSNXHUXZASZ-WDEREUQCSA-N 1 0 279.296 -0.024 20 5 CBBDRO C[C@H]1[NH2+]CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000262704936 190061144 /nfs/dbraw/zinc/06/11/44/190061144.db2.gz BJMCSOPRDMHVDQ-NXEZZACHSA-N 1 0 294.311 -0.035 20 5 CBBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000263994016 190087944 /nfs/dbraw/zinc/08/79/44/190087944.db2.gz HOQUSRUPKAEXMX-SNVBAGLBSA-N 1 0 294.311 -0.081 20 5 CBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000264558006 190118402 /nfs/dbraw/zinc/11/84/02/190118402.db2.gz QEXMIKQXHSRSIR-SNVBAGLBSA-N 1 0 297.315 -0.372 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359404066 248570484 /nfs/dbraw/zinc/57/04/84/248570484.db2.gz IWZDZCZCNZPGGN-NXEZZACHSA-N 1 0 279.300 -0.222 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359404065 248570765 /nfs/dbraw/zinc/57/07/65/248570765.db2.gz IWZDZCZCNZPGGN-AOOOYVTPSA-N 1 0 279.300 -0.222 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368645797 248769173 /nfs/dbraw/zinc/76/91/73/248769173.db2.gz HOGRRBGSGGIPBA-MTBHXBHISA-N 1 0 251.246 -0.875 20 5 CBBDRO COC(=O)[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515205 190263365 /nfs/dbraw/zinc/26/33/65/190263365.db2.gz YRTIZBCRZFMQFT-GXSJLCMTSA-N 1 0 298.299 -0.353 20 5 CBBDRO C[C@@H](O)CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266512027 190262904 /nfs/dbraw/zinc/26/29/04/190262904.db2.gz BMQQXPAEODFRPC-KOLCDFICSA-N 1 0 272.305 -0.145 20 5 CBBDRO COCC[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266526954 190264179 /nfs/dbraw/zinc/26/41/79/190264179.db2.gz KRSXHSKWYJXETH-NSHDSACASA-N 1 0 288.304 -0.907 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@@H](C)C[NH3+])c([N+](=O)[O-])n1 ZINC000347612282 218289713 /nfs/dbraw/zinc/28/97/13/218289713.db2.gz QFYNNOHBNNCPGS-LURJTMIESA-N 1 0 277.306 -0.563 20 5 CBBDRO C[C@@H](C[NH3+])NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000347667463 218313350 /nfs/dbraw/zinc/31/33/50/218313350.db2.gz FZIAEAULSSYGMN-ZETCQYMHSA-N 1 0 254.246 -0.780 20 5 CBBDRO CC[C@@](C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000133428861 207376900 /nfs/dbraw/zinc/37/69/00/207376900.db2.gz SYSNYXRTHUZPPT-GXSJLCMTSA-N 1 0 285.304 -0.604 20 5 CBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415385820 207534908 /nfs/dbraw/zinc/53/49/08/207534908.db2.gz OMBSANAGNPOMIF-VIFPVBQESA-N 1 0 294.315 -0.563 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000428481561 208088397 /nfs/dbraw/zinc/08/83/97/208088397.db2.gz NXWLJTOKSKLYFV-MRVPVSSYSA-N 1 0 253.262 -0.341 20 5 CBBDRO [NH3+][C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000429061098 208107025 /nfs/dbraw/zinc/10/70/25/208107025.db2.gz CBGONQOMLCSXSB-QMMMGPOBSA-N 1 0 253.262 -0.259 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1[NH3+] ZINC000429180354 208114911 /nfs/dbraw/zinc/11/49/11/208114911.db2.gz XRNFMRHYRZHQMX-MWLCHTKSSA-N 1 0 294.311 -0.048 20 5 CBBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000434707105 208267209 /nfs/dbraw/zinc/26/72/09/208267209.db2.gz PTKGJDNDSUQESQ-SFYZADRCSA-N 1 0 268.277 -0.557 20 5 CBBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000434707104 208268087 /nfs/dbraw/zinc/26/80/87/208268087.db2.gz PTKGJDNDSUQESQ-JGVFFNPUSA-N 1 0 268.277 -0.557 20 5 CBBDRO C[N@@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438796718 208312850 /nfs/dbraw/zinc/31/28/50/208312850.db2.gz XHAHHXKNSSGKJJ-LBPRGKRZSA-N 1 0 283.332 -0.210 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278659521 285165078 /nfs/dbraw/zinc/16/50/78/285165078.db2.gz HTICRBQHTSHOIZ-YUSALJHKSA-N 1 0 298.295 -0.628 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)CCCO ZINC000090548690 285221228 /nfs/dbraw/zinc/22/12/28/285221228.db2.gz GVNZTYRVWGSZGM-UHFFFAOYSA-N 1 0 285.300 -0.567 20 5 CBBDRO COc1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1[N+](=O)[O-] ZINC000269256157 533641753 /nfs/dbraw/zinc/64/17/53/533641753.db2.gz PBHCMYDEPHYRQS-UWVGGRQHSA-N 1 0 295.295 -0.058 20 5 CBBDRO Cc1nn(CCC(=O)NCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000002538268 169805307 /nfs/dbraw/zinc/80/53/07/169805307.db2.gz AOQUPQMYPWICQR-UHFFFAOYSA-N 1 0 255.278 -0.127 20 5 CBBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285076690 196191450 /nfs/dbraw/zinc/19/14/50/196191450.db2.gz MCBSDKLYQVMCSX-SSDOTTSWSA-N 1 0 253.262 -0.001 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1NCCN1CC[NH+](C)CC1 ZINC000037497045 173235678 /nfs/dbraw/zinc/23/56/78/173235678.db2.gz BQMMMJVWCHHYDE-UHFFFAOYSA-N 1 0 268.321 -0.012 20 5 CBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000038031224 174024527 /nfs/dbraw/zinc/02/45/27/174024527.db2.gz JESFNMRGTYAIAT-UHFFFAOYSA-N 1 0 296.283 -0.308 20 5 CBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH3+] ZINC000020551522 227388626 /nfs/dbraw/zinc/38/86/26/227388626.db2.gz MCZPFSCHFCGMOE-UHFFFAOYSA-N 1 0 275.286 -0.160 20 5 CBBDRO CNC(=O)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183686678 419512293 /nfs/dbraw/zinc/51/22/93/419512293.db2.gz KGVFWDYCDZITGR-MNOVXSKESA-N 1 0 299.331 -0.488 20 5 CBBDRO C[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1C[NH3+] ZINC000237702758 419581172 /nfs/dbraw/zinc/58/11/72/419581172.db2.gz QLCQBBMJVAMBQO-DTWKUNHWSA-N 1 0 282.304 -0.228 20 5 CBBDRO C[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1C[NH3+] ZINC000237509134 419583243 /nfs/dbraw/zinc/58/32/43/419583243.db2.gz QLCQBBMJVAMBQO-BDAKNGLRSA-N 1 0 282.304 -0.228 20 5 CBBDRO CCn1cc(S(=O)(=O)NC2CC([NH3+])C2)c([N+](=O)[O-])n1 ZINC000359287107 419956987 /nfs/dbraw/zinc/95/69/87/419956987.db2.gz NMVHJRBDTNHTQJ-UHFFFAOYSA-N 1 0 289.317 -0.421 20 5 CBBDRO O=[N+]([O-])c1ccn(CCN2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000359284823 419957097 /nfs/dbraw/zinc/95/70/97/419957097.db2.gz VDJNDVZNZBZLJC-NXEZZACHSA-N 1 0 251.290 -0.058 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@]1(CO)CCOC1 ZINC000359608344 419976728 /nfs/dbraw/zinc/97/67/28/419976728.db2.gz ZAQFOFDBNDQLKL-ZDUSSCGKSA-N 1 0 297.311 -0.160 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1 ZINC000366052573 420075772 /nfs/dbraw/zinc/07/57/72/420075772.db2.gz LSOIRLLVSICKNZ-HBNTYKKESA-N 1 0 269.301 -0.415 20 5 CBBDRO CCN1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000391568003 420206680 /nfs/dbraw/zinc/20/66/80/420206680.db2.gz BYGOBVWWGMJEMN-MWLCHTKSSA-N 1 0 297.315 -0.637 20 5 CBBDRO Cc1nc(NCCCN2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000420115426 420247530 /nfs/dbraw/zinc/24/75/30/420247530.db2.gz FKEWGSGQAQCYQR-UHFFFAOYSA-N 1 0 280.332 0.400 20 5 CBBDRO CNc1nccc(C(=O)N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000571893875 420455561 /nfs/dbraw/zinc/45/55/61/420455561.db2.gz CQYMPGXXUNYKRN-UHFFFAOYSA-N 1 0 279.300 0.418 20 5 CBBDRO C[NH+](C)CCOCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572972946 420458224 /nfs/dbraw/zinc/45/82/24/420458224.db2.gz IFYBFNDRSXBHND-UHFFFAOYSA-N 1 0 297.315 -0.120 20 5 CBBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[C@H](O)C[NH2+]1 ZINC000577222476 420463585 /nfs/dbraw/zinc/46/35/85/420463585.db2.gz MEWPHXHFKZHFPC-OIBJUYFYSA-N 1 0 291.267 0.132 20 5 CBBDRO CNc1nccc(C(=O)N[C@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000597654495 420489734 /nfs/dbraw/zinc/48/97/34/420489734.db2.gz RSRKLIURJFFCMU-QMMMGPOBSA-N 1 0 297.315 -0.316 20 5 CBBDRO O=[N+]([O-])c1cnc(NCCN2CC[C@@H](O)C2)s1 ZINC000599175420 420491336 /nfs/dbraw/zinc/49/13/36/420491336.db2.gz AUPGIDGRYNBHBA-SSDOTTSWSA-N 1 0 258.303 0.530 20 5 CBBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000519153494 265341119 /nfs/dbraw/zinc/34/11/19/265341119.db2.gz YMUDNDFFHKAYBA-UHFFFAOYSA-N 1 0 254.246 -0.013 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@H](C)[NH3+])c1 ZINC000521999514 269605268 /nfs/dbraw/zinc/60/52/68/269605268.db2.gz XBZTZKJQEMTYKS-LURJTMIESA-N 1 0 255.230 -0.110 20 5 CBBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000563645574 328080683 /nfs/dbraw/zinc/08/06/83/328080683.db2.gz FGGUXFZLCYBBMW-SECBINFHSA-N 1 0 282.304 -0.261 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1O ZINC000558434691 327094857 /nfs/dbraw/zinc/09/48/57/327094857.db2.gz ZOXXRMGXHYSBCV-QWRGUYRKSA-N 1 0 294.311 -0.076 20 5 CBBDRO CC1(C(N)=O)C[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000574077956 327287720 /nfs/dbraw/zinc/28/77/20/327287720.db2.gz GNILTWSISAPCAF-UHFFFAOYSA-N 1 0 253.262 -0.402 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C(CO)CO)c1 ZINC000578651857 327348324 /nfs/dbraw/zinc/34/83/24/327348324.db2.gz MDGMBNLMVCSAJN-LLVKDONJSA-N 1 0 286.284 -0.723 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000579714780 327406852 /nfs/dbraw/zinc/40/68/52/327406852.db2.gz VUXLCPBWDDVANW-UWVGGRQHSA-N 1 0 294.311 -0.035 20 5 CBBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC1C[NH2+]C1 ZINC000562823058 327517073 /nfs/dbraw/zinc/51/70/73/327517073.db2.gz QEGQZDYGPQWMNY-UHFFFAOYSA-N 1 0 278.268 -0.701 20 5 CBBDRO C[NH2+]CCCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000582604683 329114727 /nfs/dbraw/zinc/11/47/27/329114727.db2.gz VGWKSUFEZWNDPN-UHFFFAOYSA-N 1 0 255.278 -0.093 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCO1 ZINC000583023874 329299214 /nfs/dbraw/zinc/29/92/14/329299214.db2.gz RHAUAECAJHESPJ-QMMMGPOBSA-N 1 0 282.256 -0.505 20 5 CBBDRO Cc1n[nH]c(C(=O)NC[C@@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000575802863 335116812 /nfs/dbraw/zinc/11/68/12/335116812.db2.gz WRMNCWKCQCXPPM-QMMMGPOBSA-N 1 0 282.304 -0.740 20 5 CBBDRO O=C(CC[NH2+]C[C@H](O)CO)Nc1ccccc1[N+](=O)[O-] ZINC000572556991 334497159 /nfs/dbraw/zinc/49/71/59/334497159.db2.gz DCBRSFUGXMQFQN-VIFPVBQESA-N 1 0 283.284 -0.134 20 5 CBBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000564841251 334523433 /nfs/dbraw/zinc/52/34/33/334523433.db2.gz SBBCWHDHQGAXCL-ZETCQYMHSA-N 1 0 270.293 -0.324 20 5 CBBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000577192380 335320409 /nfs/dbraw/zinc/32/04/09/335320409.db2.gz GNHNPLOYTVFMGZ-JTQLQIEISA-N 1 0 292.295 -0.311 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000579894586 335917552 /nfs/dbraw/zinc/91/75/52/335917552.db2.gz YYGNRJADTHLFQN-UWVGGRQHSA-N 1 0 297.315 -0.767 20 5 CBBDRO Cc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000581380851 336065884 /nfs/dbraw/zinc/06/58/84/336065884.db2.gz HGWCRSKCBLGCBF-DTWKUNHWSA-N 1 0 292.299 -0.559 20 5 CBBDRO [NH3+]C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCC1 ZINC000342607620 534536310 /nfs/dbraw/zinc/53/63/10/534536310.db2.gz NZCHMGKTIBJLFP-UHFFFAOYSA-N 1 0 253.262 -0.211 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357451133 536482095 /nfs/dbraw/zinc/48/20/95/536482095.db2.gz FTMUKDCJFXOPSC-LBPRGKRZSA-N 1 0 295.299 -0.433 20 5 CBBDRO CC(C)[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000490298647 528723433 /nfs/dbraw/zinc/72/34/33/528723433.db2.gz KTSKFNLLSKROKU-JTQLQIEISA-N 1 0 296.331 -0.015 20 5 CBBDRO CC[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000236923839 535466374 /nfs/dbraw/zinc/46/63/74/535466374.db2.gz NIRVUAYDHWWNKK-UHFFFAOYSA-N 1 0 255.278 -0.175 20 5 CBBDRO C[NH+](C)C1CC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000773490425 582347653 /nfs/dbraw/zinc/34/76/53/582347653.db2.gz UHXKLVZOGWOQGY-UHFFFAOYSA-N 1 0 294.311 -0.035 20 5 CBBDRO O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839554121 583156420 /nfs/dbraw/zinc/15/64/20/583156420.db2.gz VPKZAFFTJFEWLE-NXEZZACHSA-N 1 0 250.258 -0.303 20 5 CBBDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839666451 583157473 /nfs/dbraw/zinc/15/74/73/583157473.db2.gz NDVRNRPPBOLDOJ-IVZWLZJFSA-N 1 0 257.290 -0.512 20 5 CBBDRO Nc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000842509816 583184697 /nfs/dbraw/zinc/18/46/97/583184697.db2.gz HUDLMYKOBXPHBI-VIFPVBQESA-N 1 0 280.284 -0.105 20 5 CBBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C[NH3+])C1 ZINC000843357092 583212064 /nfs/dbraw/zinc/21/20/64/583212064.db2.gz CEOHGBWOGSXOQF-JTQLQIEISA-N 1 0 293.327 -0.108 20 5 CBBDRO [NH3+]C[C@@H]1CC(C(=O)NCCn2cc([N+](=O)[O-])cn2)=NO1 ZINC000852887966 583569332 /nfs/dbraw/zinc/56/93/32/583569332.db2.gz FNDSRIMKJNVSPW-QMMMGPOBSA-N 1 0 282.260 -0.989 20 5 CBBDRO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855417451 583638904 /nfs/dbraw/zinc/63/89/04/583638904.db2.gz GYWDNRQFIDKHAB-GHMZBOCLSA-N 1 0 272.349 -0.349 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861720317 583781308 /nfs/dbraw/zinc/78/13/08/583781308.db2.gz XVDNSIFNMFJXHP-UKKRHICBSA-N 1 0 269.301 -0.681 20 5 CBBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846358 584092991 /nfs/dbraw/zinc/09/29/91/584092991.db2.gz YCOXGBXFKMCFSV-ZJUUUORDSA-N 1 0 294.315 -0.119 20 5 CBBDRO Cc1nn(C)c(NCC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC000884823797 584404015 /nfs/dbraw/zinc/40/40/15/584404015.db2.gz FOTXBOUXHRCQLM-UHFFFAOYSA-N 1 0 257.294 -0.027 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1N1CCC([NH2+]CCO)CC1 ZINC000893023116 584632623 /nfs/dbraw/zinc/63/26/23/584632623.db2.gz OWXXWFNOMNFVDY-UHFFFAOYSA-N 1 0 269.305 -0.121 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1NC[C@]1(O)CC[N@H+](C)C1 ZINC000893186784 584636487 /nfs/dbraw/zinc/63/64/87/584636487.db2.gz FCBRFNPWAPTIEK-SNVBAGLBSA-N 1 0 255.278 -0.193 20 5 CBBDRO COC[C@@H]1C[NH2+]CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000903877431 584903482 /nfs/dbraw/zinc/90/34/82/584903482.db2.gz SDVIFZKMRKNPMD-JTQLQIEISA-N 1 0 269.305 -0.289 20 5 CBBDRO COC[C@H]1C[NH2+]CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000903877432 584903555 /nfs/dbraw/zinc/90/35/55/584903555.db2.gz SDVIFZKMRKNPMD-SNVBAGLBSA-N 1 0 269.305 -0.289 20 5 CBBDRO C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000928447579 659023005 /nfs/dbraw/zinc/02/30/05/659023005.db2.gz KZNJUUDLIITELC-ONGXEEELSA-N 1 0 294.311 -0.035 20 5 CBBDRO O=c1n(CCC[NH2+]CC[N+](=O)[O-])nc2n1CCCC2 ZINC000905051155 656335825 /nfs/dbraw/zinc/33/58/25/656335825.db2.gz BTNHGIVUNAASNK-UHFFFAOYSA-N 1 0 269.305 -0.363 20 5 CBBDRO CS(=O)(=O)N1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905079455 656337415 /nfs/dbraw/zinc/33/74/15/656337415.db2.gz IJACWUJUKJMIBP-UHFFFAOYSA-N 1 0 265.335 -0.476 20 5 CBBDRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001398013 656809157 /nfs/dbraw/zinc/80/91/57/656809157.db2.gz YBSJEAHGOWEBFG-GHMZBOCLSA-N 1 0 298.343 -0.774 20 5 CBBDRO O=C(NC1CC[NH+](CCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002788085 656841071 /nfs/dbraw/zinc/84/10/71/656841071.db2.gz NDOKGKSWEBVELI-GHMZBOCLSA-N 1 0 271.317 -0.385 20 5 CBBDRO C[NH+](C)CCCNC(=O)Cn1ccnc1[N+](=O)[O-] ZINC000918368228 657829255 /nfs/dbraw/zinc/82/92/55/657829255.db2.gz FRDAKHYDSIZRFA-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139764 658016378 /nfs/dbraw/zinc/01/63/78/658016378.db2.gz MKYULPGVVYHAAN-GWOFURMSSA-N 1 0 294.315 -0.820 20 5 CBBDRO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923285409 658195686 /nfs/dbraw/zinc/19/56/86/658195686.db2.gz BJAWIUBBGPUIBC-KOLCDFICSA-N 1 0 269.305 -0.554 20 5 CBBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923331020 658214377 /nfs/dbraw/zinc/21/43/77/658214377.db2.gz AFBTUYONKRXRRV-JFGNBEQYSA-N 1 0 283.332 -0.166 20 5 CBBDRO CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923425421 658274671 /nfs/dbraw/zinc/27/46/71/658274671.db2.gz MYYRACBLOVWVSI-CMPLNLGQSA-N 1 0 283.332 -0.164 20 5 CBBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000928563778 659046930 /nfs/dbraw/zinc/04/69/30/659046930.db2.gz RINICIQSAGTWDG-SECBINFHSA-N 1 0 280.284 -0.423 20 5 CBBDRO C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1CO ZINC000931407302 659454861 /nfs/dbraw/zinc/45/48/61/659454861.db2.gz HNPUUDVFGMLKNC-JTQLQIEISA-N 1 0 269.305 -0.600 20 5 CBBDRO Cc1nc(N2CCN3CC[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164400201 718842679 /nfs/dbraw/zinc/84/26/79/718842679.db2.gz SDYJEYKVWJYHSP-SNVBAGLBSA-N 1 0 278.316 -0.213 20 5 CBBDRO COc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001164667111 719368693 /nfs/dbraw/zinc/36/86/93/719368693.db2.gz IBYMRGQTPSWDLP-ZJUUUORDSA-N 1 0 295.299 -0.087 20 5 CBBDRO COc1nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164667110 719369163 /nfs/dbraw/zinc/36/91/63/719369163.db2.gz IBYMRGQTPSWDLP-VHSXEESVSA-N 1 0 295.299 -0.087 20 5 CBBDRO NC(=O)[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228681528 790436252 /nfs/dbraw/zinc/43/62/52/790436252.db2.gz IUXRARSVPVCQJO-UWVGGRQHSA-N 1 0 269.257 -0.936 20 5 CBBDRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001022064130 790986959 /nfs/dbraw/zinc/98/69/59/790986959.db2.gz XKPBBTCOFPWROY-JZSSXWJLSA-N 1 0 294.315 -0.783 20 5 CBBDRO Cn1ccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022061559 790987423 /nfs/dbraw/zinc/98/74/23/790987423.db2.gz OCZVDOLBSBLCTQ-LMLFDSFASA-N 1 0 293.327 -0.178 20 5 CBBDRO COCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812581 801971168 /nfs/dbraw/zinc/97/11/68/801971168.db2.gz LHJISIVZOYYSAP-WRWGMCAJSA-N 1 0 283.328 -0.312 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050516982 802066938 /nfs/dbraw/zinc/06/69/38/802066938.db2.gz LRRZMTAMDMKQQS-VXGBXAGGSA-N 1 0 297.355 -0.042 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001072726010 805331691 /nfs/dbraw/zinc/33/16/91/805331691.db2.gz XELFBUMBVHOUGC-GHMZBOCLSA-N 1 0 283.328 -0.432 20 5 CBBDRO COc1nc(N[C@@H]2COC[C@@H]2[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001155345492 815278236 /nfs/dbraw/zinc/27/82/36/815278236.db2.gz FNMJLLCTTQHHDI-NTSWFWBYSA-N 1 0 285.260 -0.460 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001155509675 815289253 /nfs/dbraw/zinc/28/92/53/815289253.db2.gz GPYIJPDHIHJJPZ-CABZTGNLSA-N 1 0 280.284 -0.124 20 5 CBBDRO COc1cnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001155569173 815293339 /nfs/dbraw/zinc/29/33/39/815293339.db2.gz DIFXWSDIWRBXTK-CABZTGNLSA-N 1 0 293.283 -0.012 20 5 CBBDRO Nc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155574628 815296507 /nfs/dbraw/zinc/29/65/07/815296507.db2.gz IVDUAWHKXRXDBV-HQJQHLMTSA-N 1 0 278.272 -0.438 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001155577451 815297459 /nfs/dbraw/zinc/29/74/59/815297459.db2.gz UWEUPGALPWXVRI-KWQFWETISA-N 1 0 278.272 -0.438 20 5 CBBDRO COC(=O)[C@@H](CO)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155930479 815322628 /nfs/dbraw/zinc/32/26/28/815322628.db2.gz KEUXCXCGDVOIHR-SSDOTTSWSA-N 1 0 297.271 -0.983 20 5 CBBDRO COc1nc(N(CC[NH3+])CCO)nc(OC)c1[N+](=O)[O-] ZINC001155949507 815325643 /nfs/dbraw/zinc/32/56/43/815325643.db2.gz OKBDEQHKSZDDEG-UHFFFAOYSA-N 1 0 287.276 -0.841 20 5 CBBDRO O=C1CC[C@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)N1 ZINC001156154090 815340319 /nfs/dbraw/zinc/34/03/19/815340319.db2.gz NLPRMXFGTDCTKK-MRVPVSSYSA-N 1 0 292.299 -0.238 20 5 CBBDRO CN(c1nc(Cl)ncc1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001156232645 815347181 /nfs/dbraw/zinc/34/71/81/815347181.db2.gz ZCMXJLFFMHFRBE-UHFFFAOYSA-N 1 0 295.708 -0.237 20 5 CBBDRO CN(c1ccc([N+](=O)[O-])c(N)n1)S(=O)(=O)CC[NH3+] ZINC001156236432 815349585 /nfs/dbraw/zinc/34/95/85/815349585.db2.gz KPWKKCACNZNGTE-UHFFFAOYSA-N 1 0 275.290 -0.703 20 5 CBBDRO COc1cc(-n2nnc(CC[NH3+])n2)ncc1[N+](=O)[O-] ZINC001156984307 815394735 /nfs/dbraw/zinc/39/47/35/815394735.db2.gz FVSMCVYEJIMHSU-UHFFFAOYSA-N 1 0 265.233 -0.525 20 5 CBBDRO Nc1cc(-n2nnc(CC[NH3+])n2)ncc1[N+](=O)[O-] ZINC001156985483 815395206 /nfs/dbraw/zinc/39/52/06/815395206.db2.gz ZGZIRKXTHFSTPG-UHFFFAOYSA-N 1 0 250.222 -0.951 20 5 CBBDRO [NH3+]CCc1nnn(-c2ncc(F)cc2[N+](=O)[O-])n1 ZINC001156985827 815395598 /nfs/dbraw/zinc/39/55/98/815395598.db2.gz MCXCEJFWVDMFTF-UHFFFAOYSA-N 1 0 253.197 -0.394 20 5 CBBDRO COc1nc(-n2ccnc2C(N)=[NH2+])ncc1[N+](=O)[O-] ZINC001157621765 815448525 /nfs/dbraw/zinc/44/85/25/815448525.db2.gz YWPJVGAIOCMRLP-UHFFFAOYSA-N 1 0 263.217 -0.137 20 5 CBBDRO COCCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767769 815462608 /nfs/dbraw/zinc/46/26/08/815462608.db2.gz TWIAYFGMARAVPR-NXEZZACHSA-N 1 0 259.306 -0.216 20 5 CBBDRO O=C(NCCC[NH2+]CCn1cccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767575 815463186 /nfs/dbraw/zinc/46/31/86/815463186.db2.gz QZYZQTVXEHKEPX-GHMZBOCLSA-N 1 0 281.316 -0.356 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001158074647 815501717 /nfs/dbraw/zinc/50/17/17/815501717.db2.gz HJXPFUFUDQGUMV-UHFFFAOYSA-N 1 0 272.228 -0.028 20 5 CBBDRO [NH3+]Cc1nnnn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158075177 815502107 /nfs/dbraw/zinc/50/21/07/815502107.db2.gz XZFVTJTXSATHGG-UHFFFAOYSA-N 1 0 272.228 -0.028 20 5 CBBDRO Cc1nn(C)c(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC001116367165 812249426 /nfs/dbraw/zinc/24/94/26/812249426.db2.gz SJULYJPRFRYHKH-GFCCVEGCSA-N 1 0 299.331 -0.321 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC001116626566 812287078 /nfs/dbraw/zinc/28/70/78/812287078.db2.gz YPESYPIXEOOYLE-UHFFFAOYSA-N 1 0 285.304 -0.628 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCCO1 ZINC001118228613 812500980 /nfs/dbraw/zinc/50/09/80/812500980.db2.gz VLQPRVMYSVPSFV-ZETCQYMHSA-N 1 0 269.261 -0.492 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118382774 812542441 /nfs/dbraw/zinc/54/24/41/812542441.db2.gz PPCHMVMUBCBLHF-DTWKUNHWSA-N 1 0 295.299 -0.781 20 5 CBBDRO NC(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCOCC1 ZINC001118563529 812577439 /nfs/dbraw/zinc/57/74/39/812577439.db2.gz NERAORZWULGYBQ-UHFFFAOYSA-N 1 0 283.288 -0.585 20 5 CBBDRO C[NH+](C)CC1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001118709682 812606707 /nfs/dbraw/zinc/60/67/07/812606707.db2.gz MVFZIZKTBPWKDC-UHFFFAOYSA-N 1 0 253.262 -0.049 20 5 CBBDRO CN1CC2(C1)CN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001158867916 815550800 /nfs/dbraw/zinc/55/08/00/815550800.db2.gz BMMKOTWROOEMKX-UHFFFAOYSA-N 1 0 290.327 -0.177 20 5 CBBDRO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001126932030 813695324 /nfs/dbraw/zinc/69/53/24/813695324.db2.gz FTFLOTZXDOQJMJ-NXEZZACHSA-N 1 0 267.289 -0.709 20 5 CBBDRO CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938941 813696884 /nfs/dbraw/zinc/69/68/84/813696884.db2.gz OIIPCGIMRDBWNI-NXEZZACHSA-N 1 0 286.332 -0.870 20 5 CBBDRO CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936256 813697620 /nfs/dbraw/zinc/69/76/20/813697620.db2.gz CZPOGAJEBNDHEQ-NXEZZACHSA-N 1 0 282.304 -0.831 20 5 CBBDRO O=C(NCC[NH2+]CCOCC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939420 813697733 /nfs/dbraw/zinc/69/77/33/813697733.db2.gz XTMQZUHGYAXNFT-GHMZBOCLSA-N 1 0 271.317 -0.216 20 5 CBBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@H]21 ZINC001129073892 813818437 /nfs/dbraw/zinc/81/84/37/813818437.db2.gz MCDIYWWBWDJSJF-BDAKNGLRSA-N 1 0 280.288 -0.651 20 5 CBBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001130097942 813908254 /nfs/dbraw/zinc/90/82/54/813908254.db2.gz IKOIWZWUNOFUDR-SECBINFHSA-N 1 0 282.304 -0.261 20 5 CBBDRO COc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159669838 815583732 /nfs/dbraw/zinc/58/37/32/815583732.db2.gz AEJSSKMFILGUCK-NKWVEPMBSA-N 1 0 269.261 -0.614 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159672974 815584990 /nfs/dbraw/zinc/58/49/90/815584990.db2.gz UDZRRZFJSVJIGK-XVKPBYJWSA-N 1 0 296.283 -0.231 20 5 CBBDRO COC(=O)c1ccnc(N[C@@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001159678076 815587352 /nfs/dbraw/zinc/58/73/52/815587352.db2.gz NRKXMTWCHXVXMZ-IONNQARKSA-N 1 0 296.283 -0.231 20 5 CBBDRO Cc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159681417 815588243 /nfs/dbraw/zinc/58/82/43/815588243.db2.gz DAMCCDVQVRKULP-HTQZYQBOSA-N 1 0 253.262 -0.315 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1ccc([N+](=O)[O-])cn1 ZINC001162125010 815803267 /nfs/dbraw/zinc/80/32/67/815803267.db2.gz UIWNSESGLVZFCR-UHFFFAOYSA-N 1 0 260.275 -0.286 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1cc([N+](=O)[O-])c2nccn2c1 ZINC001162128731 815805371 /nfs/dbraw/zinc/80/53/71/815805371.db2.gz JKSPDYQZXDHKDN-UHFFFAOYSA-N 1 0 299.312 -0.033 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162917928 815848220 /nfs/dbraw/zinc/84/82/20/815848220.db2.gz ZAPLLPVOHKAZNO-JGVFFNPUSA-N 1 0 267.245 -0.773 20 5 CBBDRO O=[N+]([O-])c1nccnc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163137432 815861335 /nfs/dbraw/zinc/86/13/35/815861335.db2.gz JTZMLOCWAWNRCK-BWZBUEFSSA-N 1 0 251.246 -0.217 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001163191963 815864117 /nfs/dbraw/zinc/86/41/17/815864117.db2.gz WKUSYEMSDNJBBU-RDDDGLTNSA-N 1 0 281.272 -0.064 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc([N+](=O)[O-])cn2)N1 ZINC001163240838 815872206 /nfs/dbraw/zinc/87/22/06/815872206.db2.gz WXWNIOXKCPKFRX-KWQFWETISA-N 1 0 263.257 -0.020 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cccnc2[N+](=O)[O-])N1 ZINC001163250657 815873365 /nfs/dbraw/zinc/87/33/65/815873365.db2.gz OYIMLXHBGZAYNZ-KCJUWKMLSA-N 1 0 263.257 -0.020 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342806 815878569 /nfs/dbraw/zinc/87/85/69/815878569.db2.gz YJGZOKDESYMMKI-FYBVGQRMSA-N 1 0 266.257 -0.231 20 5 CBBDRO NC(=O)c1ccnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1[N+](=O)[O-] ZINC001163337435 815878672 /nfs/dbraw/zinc/87/86/72/815878672.db2.gz RQWCWKRZCZROAC-WEDXCCLWSA-N 1 0 293.283 -0.370 20 5 CBBDRO COc1nc(-n2c(C)nnc2C[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001163348821 815880751 /nfs/dbraw/zinc/88/07/51/815880751.db2.gz VIKJNPBROPSPAU-UHFFFAOYSA-N 1 0 295.259 -0.250 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)n1 ZINC001302816161 816758739 /nfs/dbraw/zinc/75/87/39/816758739.db2.gz FZDFKFXWSCNXPV-LBPRGKRZSA-N 1 0 297.315 -0.533 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC001307182807 816798252 /nfs/dbraw/zinc/79/82/52/816798252.db2.gz SZDVQZQKFSQQGH-MRVPVSSYSA-N 1 0 255.278 -0.193 20 5 CBBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC001307785597 816810028 /nfs/dbraw/zinc/81/00/28/816810028.db2.gz NTADODPSEDVCMC-WXHSDQCUSA-N 1 0 295.343 -0.212 20 5 CBBDRO CC[C@H](CO)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001307803224 816810078 /nfs/dbraw/zinc/81/00/78/816810078.db2.gz APHRNRDWLUDIIM-KOLCDFICSA-N 1 0 272.305 -0.145 20 5 CBBDRO O=C(NCCN1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316962324 816905975 /nfs/dbraw/zinc/90/59/75/816905975.db2.gz AEAMCNUTJVARRO-CHWSQXEVSA-N 1 0 296.371 -0.205 20 5 CBBDRO CCOCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317447713 816982056 /nfs/dbraw/zinc/98/20/56/816982056.db2.gz FCPWOCUUASCEAB-NXEZZACHSA-N 1 0 259.306 -0.264 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[NH+]1CCC1 ZINC001319433967 817203519 /nfs/dbraw/zinc/20/35/19/817203519.db2.gz NXICZJDVPRBUAY-UHFFFAOYSA-N 1 0 254.250 -0.992 20 5 CBBDRO COc1ccnc(N(CC[NH3+])CCO)c1[N+](=O)[O-] ZINC001163827729 819854338 /nfs/dbraw/zinc/85/43/38/819854338.db2.gz KUEKGQPZFNGRII-UHFFFAOYSA-N 1 0 256.262 -0.244 20 5 CBBDRO COC(=O)c1cc(C)nc(N(CC[NH3+])CCO)c1[N+](=O)[O-] ZINC001163831788 819857022 /nfs/dbraw/zinc/85/70/22/819857022.db2.gz HOFISZPDPOYIQH-UHFFFAOYSA-N 1 0 298.299 -0.158 20 5 CBBDRO [NH3+]CCN(CCO)c1cc([N+](=O)[O-])c2nccn2c1 ZINC001163836949 819858080 /nfs/dbraw/zinc/85/80/80/819858080.db2.gz NDIACPSTFUJURA-UHFFFAOYSA-N 1 0 265.273 0.000 20 5 CBBDRO CN(c1ncccc1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164296693 819904124 /nfs/dbraw/zinc/90/41/24/819904124.db2.gz LIIIIACYEZLIOG-UHFFFAOYSA-N 1 0 260.275 -0.286 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001165283729 819948317 /nfs/dbraw/zinc/94/83/17/819948317.db2.gz KZNFOZNTDGQSSU-SKDRFNHKSA-N 1 0 279.300 -0.289 20 5 CBBDRO COc1ncnc(N2C[C@@H]([NH3+])[C@@H](F)C2)c1[N+](=O)[O-] ZINC001166928885 820046728 /nfs/dbraw/zinc/04/67/28/820046728.db2.gz VZXZWXDSRPHJGX-NTSWFWBYSA-N 1 0 257.225 -0.121 20 5 CBBDRO Cc1nc(N(C2C[NH2+]C2)S(C)(=O)=O)ncc1[N+](=O)[O-] ZINC001166972026 820057581 /nfs/dbraw/zinc/05/75/81/820057581.db2.gz ONSQPRCARZYTIZ-UHFFFAOYSA-N 1 0 287.301 -0.569 20 5 CBBDRO CCOc1nc(N2C[C@@H](O)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001167093290 820070089 /nfs/dbraw/zinc/07/00/89/820070089.db2.gz SBBKKONQEBQVDO-IONNQARKSA-N 1 0 268.273 -0.103 20 5 CBBDRO N=c1cc(C[NH3+])ccn1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001167689519 820111254 /nfs/dbraw/zinc/11/12/54/820111254.db2.gz JKHPTJKBGHPGAS-UHFFFAOYSA-N 1 0 261.241 -0.043 20 5 CBBDRO [NH3+]CCc1nnn(-c2cnc(F)c([N+](=O)[O-])c2)n1 ZINC001167792139 820120207 /nfs/dbraw/zinc/12/02/07/820120207.db2.gz XJQUHJKOYNVQED-UHFFFAOYSA-N 1 0 253.197 -0.394 20 5 CBBDRO N=C(NCCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001167879214 820124655 /nfs/dbraw/zinc/12/46/55/820124655.db2.gz ILZFYKACCLBAMV-UHFFFAOYSA-N 1 0 295.303 -0.236 20 5 CBBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001167897781 820127404 /nfs/dbraw/zinc/12/74/04/820127404.db2.gz NNGYKYYMJLGNJC-SECBINFHSA-N 1 0 298.299 -0.014 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1-n1nnnc1C[NH3+] ZINC001168917603 820190240 /nfs/dbraw/zinc/19/02/40/820190240.db2.gz KHNDZEXLZQORFK-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO COc1ccnc(-n2nnnc2C[NH3+])c1[N+](=O)[O-] ZINC001168919210 820191505 /nfs/dbraw/zinc/19/15/05/820191505.db2.gz WCNNQGOPWHOJQY-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO NC(=O)c1nc(-n2cc(CC[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001168947988 820196684 /nfs/dbraw/zinc/19/66/84/820196684.db2.gz IBPTZUIUOFMFBD-UHFFFAOYSA-N 1 0 276.256 -0.224 20 5 CBBDRO O=C1C=CC(=O)N1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970953 820197086 /nfs/dbraw/zinc/19/70/86/820197086.db2.gz JIAMROZMSSGTTA-VHSXEESVSA-N 1 0 267.285 -0.054 20 5 CBBDRO [NH3+]CCS(=O)(=O)N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966006 820197222 /nfs/dbraw/zinc/19/72/22/820197222.db2.gz FQRQRCXFZPNSGW-JGVFFNPUSA-N 1 0 251.308 -0.690 20 5 CBBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCOCC1 ZINC001168966288 820197539 /nfs/dbraw/zinc/19/75/39/820197539.db2.gz HNPNBFLRJADWJX-GHMZBOCLSA-N 1 0 271.317 -0.120 20 5 CBBDRO O=C1C=CC(=O)N1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970951 820197938 /nfs/dbraw/zinc/19/79/38/820197938.db2.gz JIAMROZMSSGTTA-NXEZZACHSA-N 1 0 267.285 -0.054 20 5 CBBDRO COC(=O)CNC(=O)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984942 820198686 /nfs/dbraw/zinc/19/86/86/820198686.db2.gz RHELAIGAXILCED-IUCAKERBSA-N 1 0 273.289 -0.689 20 5 CBBDRO O=C1CO[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CN1 ZINC001168977033 820198714 /nfs/dbraw/zinc/19/87/14/820198714.db2.gz HDVYWOXJBNXOON-IVZWLZJFSA-N 1 0 257.290 -0.464 20 5 CBBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998360 820199834 /nfs/dbraw/zinc/19/98/34/820199834.db2.gz LUHUHVFTQJOHAA-GUBZILKMSA-N 1 0 287.316 -0.301 20 5 CBBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)NCC(N)=O ZINC001168998641 820200622 /nfs/dbraw/zinc/20/06/22/820200622.db2.gz PGTVEZYUTAJFLD-XHNCKOQMSA-N 1 0 272.305 -0.989 20 5 CBBDRO O=C1CN(C2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CCN1 ZINC001169038459 820201518 /nfs/dbraw/zinc/20/15/18/820201518.db2.gz YXSICHFXURSKON-GHMZBOCLSA-N 1 0 282.344 -0.452 20 5 CBBDRO CS(=O)(=O)N(C1C[NH2+]C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033030 820202280 /nfs/dbraw/zinc/20/22/80/820202280.db2.gz BEEXEUTYKGPXFK-IUCAKERBSA-N 1 0 277.346 -0.335 20 5 CBBDRO O=[N+]([O-])c1c(NCC2OCCO2)ncnc1C1C[NH2+]C1 ZINC001169064544 820203502 /nfs/dbraw/zinc/20/35/02/820203502.db2.gz QHIHNPFFEJIYKN-UHFFFAOYSA-N 1 0 281.272 -0.144 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC(N)=O ZINC001170053994 820277046 /nfs/dbraw/zinc/27/70/46/820277046.db2.gz POVANUYBJXDLOP-UHFFFAOYSA-N 1 0 255.278 -0.093 20 5 CBBDRO CO[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC001170299953 820286494 /nfs/dbraw/zinc/28/64/94/820286494.db2.gz IFTORPNBASJFCQ-RKDXNWHRSA-N 1 0 256.262 -0.517 20 5 CBBDRO CN(CC[NH3+])CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001170498371 820295802 /nfs/dbraw/zinc/29/58/02/820295802.db2.gz KTHYGIWEDUNKRA-UHFFFAOYSA-N 1 0 282.304 -0.609 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001170535287 820301084 /nfs/dbraw/zinc/30/10/84/820301084.db2.gz MKAAVJLIMMGGQX-SNVBAGLBSA-N 1 0 297.315 -0.717 20 5 CBBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170567529 820308786 /nfs/dbraw/zinc/30/87/86/820308786.db2.gz DVVGLSVRCQWLSX-VXNVDRBHSA-N 1 0 295.299 -0.123 20 5 CBBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170771661 820315739 /nfs/dbraw/zinc/31/57/39/820315739.db2.gz DYNBERCVORMPSB-RQJHMYQMSA-N 1 0 288.691 -0.126 20 5 CBBDRO COc1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)nc1[N+](=O)[O-] ZINC001170773814 820317731 /nfs/dbraw/zinc/31/77/31/820317731.db2.gz QPRDFAQTBJITPM-JGVFFNPUSA-N 1 0 268.273 -0.009 20 5 CBBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@@H]3C[NH2+]C[C@H]3CO)c12 ZINC001170774180 820317868 /nfs/dbraw/zinc/31/78/68/820317868.db2.gz LTHNKSZDPWKQRD-NKWVEPMBSA-N 1 0 278.272 -0.142 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170779495 820322140 /nfs/dbraw/zinc/32/21/40/820322140.db2.gz JTKMUZQBEFMFIW-JGVFFNPUSA-N 1 0 254.246 -0.780 20 5 CBBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)cn2cnnc12 ZINC001170783154 820323664 /nfs/dbraw/zinc/32/36/64/820323664.db2.gz QIVVTHOMKOACKV-IONNQARKSA-N 1 0 278.272 -0.370 20 5 CBBDRO CC(=O)N1CC(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001171075779 820348155 /nfs/dbraw/zinc/34/81/55/820348155.db2.gz ULGWLARXOWZZOA-UHFFFAOYSA-N 1 0 292.299 -0.286 20 5 CBBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001176532621 820450634 /nfs/dbraw/zinc/45/06/34/820450634.db2.gz BQOBALCPEXQKIZ-DTWKUNHWSA-N 1 0 295.299 -0.401 20 5 CBBDRO C[N@H+](CCO)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001187593719 822282642 /nfs/dbraw/zinc/28/26/42/822282642.db2.gz PIAJKZHBYPUPAW-UHFFFAOYSA-N 1 0 283.288 -0.575 20 5 CBBDRO COC(=O)[C@@]1(O)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001197266324 824185788 /nfs/dbraw/zinc/18/57/88/824185788.db2.gz WVQUWEQNZHWCHV-GFCCVEGCSA-N 1 0 298.299 -0.290 20 5 CBBDRO COCCOCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001205285453 824376235 /nfs/dbraw/zinc/37/62/35/824376235.db2.gz QBBMSMVMSPIKJC-SNVBAGLBSA-N 1 0 250.315 -0.393 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCS(C)(=O)=O ZINC001222384737 825208938 /nfs/dbraw/zinc/20/89/38/825208938.db2.gz QZDQVIOEGRCXCD-SECBINFHSA-N 1 0 268.355 -0.969 20 5 CBBDRO Cn1cnc(COC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001222947359 825223743 /nfs/dbraw/zinc/22/37/43/825223743.db2.gz YBYIFZBLIRXWMB-SECBINFHSA-N 1 0 257.314 -0.685 20 5 CBBDRO COC(CCOC(=O)C[C@@H](O)C[N+](C)(C)C)OC ZINC001224341163 825237214 /nfs/dbraw/zinc/23/72/14/825237214.db2.gz HEMAAACNWNNKJS-SNVBAGLBSA-N 1 0 264.342 -0.004 20 5 CBBDRO COC(=O)CN1C[C@@H](OCCC[N+](C)(C)C)CC1=O ZINC001224622202 825243963 /nfs/dbraw/zinc/24/39/63/825243963.db2.gz GGGIYPNOZWUHLV-NSHDSACASA-N 1 0 273.353 -0.127 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCN1C(=O)CCC1=O ZINC001224557841 825245092 /nfs/dbraw/zinc/24/50/92/825245092.db2.gz XHRBSKGSMVOPSH-SNVBAGLBSA-N 1 0 287.336 -0.864 20 5 CBBDRO C[C@H](C[NH+](C)C)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224797682 825247719 /nfs/dbraw/zinc/24/77/19/825247719.db2.gz RDVVMVHEFOUEOO-MRVPVSSYSA-N 1 0 290.276 -0.955 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc[n+]1[O-] ZINC001226796617 825290243 /nfs/dbraw/zinc/29/02/43/825290243.db2.gz MVPQYDPDIUZFRN-SNVBAGLBSA-N 1 0 255.294 -0.317 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2n[nH]nc21 ZINC001227247468 825299196 /nfs/dbraw/zinc/29/91/96/825299196.db2.gz AREPQSBVNQONHX-SSDOTTSWSA-N 1 0 281.296 -0.890 20 5 CBBDRO Cc1cc2ncnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n2n1 ZINC001227679395 825306032 /nfs/dbraw/zinc/30/60/32/825306032.db2.gz NMFJESLLVJRBRG-SNVBAGLBSA-N 1 0 294.335 -0.205 20 5 CBBDRO Cc1cc(=O)[nH]nc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227799501 825309370 /nfs/dbraw/zinc/30/93/70/825309370.db2.gz ZDZHZKQBPIBCKV-SECBINFHSA-O 1 0 270.309 -0.147 20 5 CBBDRO COC(=O)c1ccnnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228788551 825322819 /nfs/dbraw/zinc/32/28/19/825322819.db2.gz OOTZAKZZXDVXJC-SECBINFHSA-N 1 0 298.319 -0.374 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(N)=O)cn1 ZINC001230892746 825378555 /nfs/dbraw/zinc/37/85/55/825378555.db2.gz KXMMLRZHIMLQSL-SNVBAGLBSA-O 1 0 282.320 -0.457 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cncnc1N ZINC001233854007 825440024 /nfs/dbraw/zinc/44/00/24/825440024.db2.gz ZSBSGCGVWNFDSM-MRVPVSSYSA-N 1 0 255.298 -0.579 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnccc1C(N)=O ZINC001234008153 825446883 /nfs/dbraw/zinc/44/68/83/825446883.db2.gz GSPKQYDPAMZDQE-SECBINFHSA-O 1 0 282.320 -0.457 20 5 CBBDRO C[C@@H](C[N+](C)(C)C)Oc1cn(C)c(=O)n(C)c1=O ZINC001234190383 825452537 /nfs/dbraw/zinc/45/25/37/825452537.db2.gz WRWRVZLQRNRJCF-VIFPVBQESA-N 1 0 256.326 -0.443 20 5 CBBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(CO)(CO)CO ZINC001254538185 825966478 /nfs/dbraw/zinc/96/64/78/825966478.db2.gz QWSBHFIGDJBJGZ-JTQLQIEISA-N 1 0 284.312 -0.169 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[NH2+]CC1 ZINC001261459805 826517299 /nfs/dbraw/zinc/51/72/99/826517299.db2.gz CGMMLLFHFMXXHP-UHFFFAOYSA-N 1 0 253.262 -0.236 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001261474419 826519915 /nfs/dbraw/zinc/51/99/15/826519915.db2.gz CWXPLMXIIUPMFW-MRVPVSSYSA-N 1 0 283.288 -0.184 20 5 CBBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1[nH]ncc1[N+](=O)[O-] ZINC001261473172 826520252 /nfs/dbraw/zinc/52/02/52/826520252.db2.gz DPUJXJPJJJDUNM-SSDOTTSWSA-N 1 0 269.261 -0.574 20 5 CBBDRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]CC[N+](=O)[O-])C2 ZINC001262489705 826694920 /nfs/dbraw/zinc/69/49/20/826694920.db2.gz GPYUPMXBTAIIKY-SNVBAGLBSA-N 1 0 268.317 -0.093 20 5 CBBDRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001265243437 826861079 /nfs/dbraw/zinc/86/10/79/826861079.db2.gz RVJMMWZXXSGFGP-VXGBXAGGSA-N 1 0 284.360 -0.205 20 5 CBBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265538661 826902230 /nfs/dbraw/zinc/90/22/30/826902230.db2.gz HOUBMNYXISLIIY-UTINFBMNSA-N 1 0 257.290 -0.729 20 5 CBBDRO CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268540925 827359351 /nfs/dbraw/zinc/35/93/51/827359351.db2.gz GMTHUZBYVKTZLM-HWKXXFMVSA-N 1 0 284.316 -0.998 20 5 CBBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC(N)=O)CC1 ZINC001270878772 827604079 /nfs/dbraw/zinc/60/40/79/827604079.db2.gz AGVUYBGTOHRWPB-NXEZZACHSA-N 1 0 298.343 -0.645 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C[C@@H]2CO)c1 ZINC001175678144 884694903 /nfs/dbraw/zinc/69/49/03/884694903.db2.gz MLDUXHNVKMTHGO-KOLCDFICSA-N 1 0 268.273 -0.615 20 5 CBBDRO C[NH2+]C[C@@H](C)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC001326073024 884896979 /nfs/dbraw/zinc/89/69/79/884896979.db2.gz ABQASNDWDBXKFV-SSDOTTSWSA-N 1 0 255.278 -0.086 20 5 CBBDRO C[NH2+][C@H](C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001326582876 885074008 /nfs/dbraw/zinc/07/40/08/885074008.db2.gz UOBOGTABIPQJNI-SSDOTTSWSA-N 1 0 256.266 -0.700 20 5 CBBDRO Cc1nn(C)c(C(=O)NC[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC001328236793 885609949 /nfs/dbraw/zinc/60/99/49/885609949.db2.gz SWEVQEZGAQOEGR-LURJTMIESA-N 1 0 255.278 -0.039 20 5 CBBDRO Cc1nn(C)c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC001326122245 884910259 /nfs/dbraw/zinc/91/02/59/884910259.db2.gz WDJKFLIWKFMHOX-DTORHVGOSA-N 1 0 279.300 -0.072 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC12CC[NH2+]CC2 ZINC001326131928 884914352 /nfs/dbraw/zinc/91/43/52/884914352.db2.gz CDXYDROJAJNTMC-QMMMGPOBSA-N 1 0 280.288 -0.555 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001326451060 885031042 /nfs/dbraw/zinc/03/10/42/885031042.db2.gz KWIAOWFNDYVMRE-QMMMGPOBSA-N 1 0 283.288 -0.482 20 5 CBBDRO Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)N1CC[NH2+]CC1 ZINC001326807041 885159246 /nfs/dbraw/zinc/15/92/46/885159246.db2.gz ZFQBIKNKDZBTAL-UHFFFAOYSA-N 1 0 280.284 -0.503 20 5 CBBDRO [NH3+][C@@H](CO)Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC001326919749 885190807 /nfs/dbraw/zinc/19/08/07/885190807.db2.gz XGYKMEIYSJSAPP-SSDOTTSWSA-N 1 0 264.245 -0.567 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001327121718 885266528 /nfs/dbraw/zinc/26/65/28/885266528.db2.gz PJDNWJMYFRLUHG-LLVKDONJSA-N 1 0 280.288 -0.602 20 5 CBBDRO [NH3+]C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F ZINC001327679588 885450164 /nfs/dbraw/zinc/45/01/64/885450164.db2.gz JAOBITDQWCATAA-BYPYZUCNSA-N 1 0 282.182 -0.808 20 5 CBBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC001327889288 885514144 /nfs/dbraw/zinc/51/41/44/885514144.db2.gz QBVJZYZJDAHUIQ-MRVPVSSYSA-N 1 0 285.304 -0.409 20 5 CBBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)C1(O)C[NH2+]C1 ZINC001327918198 885527164 /nfs/dbraw/zinc/52/71/64/885527164.db2.gz NWINTQSUIOEQKZ-UHFFFAOYSA-N 1 0 277.280 -0.186 20 5 CBBDRO [NH3+]C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC001328462579 885697426 /nfs/dbraw/zinc/69/74/26/885697426.db2.gz TUDOEIBUACLZRT-SECBINFHSA-N 1 0 267.289 -0.011 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[C@@H]1CC[NH2+]C1 ZINC001329484770 886090198 /nfs/dbraw/zinc/09/01/98/886090198.db2.gz VYNPYODOJPPIGZ-QMMMGPOBSA-N 1 0 268.277 -0.698 20 5 CBBDRO Cc1nn(C)c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC001329627327 886152330 /nfs/dbraw/zinc/15/23/30/886152330.db2.gz ZQTNQZKAXUMTNB-VIFPVBQESA-N 1 0 297.315 -0.567 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001329626611 886152861 /nfs/dbraw/zinc/15/28/61/886152861.db2.gz RORDOGYCJGSCEH-QMMMGPOBSA-N 1 0 283.288 -0.875 20 5 CBBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NC1C[NH2+]C1 ZINC001331469544 886814531 /nfs/dbraw/zinc/81/45/31/886814531.db2.gz IQLPPHIQZZAFKT-UHFFFAOYSA-N 1 0 292.295 -0.659 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[NH2+]C1 ZINC001331942943 887054512 /nfs/dbraw/zinc/05/45/12/887054512.db2.gz JJAVQTYGUNQPMT-SSDOTTSWSA-N 1 0 254.250 -0.993 20 5 CBBDRO C[C@H](Cn1cncn1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001331962920 887064961 /nfs/dbraw/zinc/06/49/61/887064961.db2.gz QPSZIYVBYNVXHT-KOLCDFICSA-N 1 0 295.303 -0.578 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC001332334550 887209234 /nfs/dbraw/zinc/20/92/34/887209234.db2.gz LTYGFSQZSHEWLQ-QXEWZRGKSA-N 1 0 267.289 -0.802 20 5 CBBDRO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001332477417 887310590 /nfs/dbraw/zinc/31/05/90/887310590.db2.gz KDFPVPVWZOHNPX-ZJUUUORDSA-N 1 0 294.311 -0.035 20 5 CBBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[NH2+]C1 ZINC001333274050 887577764 /nfs/dbraw/zinc/57/77/64/887577764.db2.gz XHRXRGYDZWTQNU-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO C[NH+]1CCN(CCCn2cnc([N+](=O)[O-])n2)CC1 ZINC001337467898 889014469 /nfs/dbraw/zinc/01/44/69/889014469.db2.gz QCSJYVNLGYXOAA-UHFFFAOYSA-N 1 0 254.294 -0.176 20 5 CBBDRO NC(=O)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001342950620 889849241 /nfs/dbraw/zinc/84/92/41/889849241.db2.gz HUMOCJYRKUUCJU-VIFPVBQESA-N 1 0 267.289 -0.011 20 5 CBBDRO CC1([NH3+])CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001346046890 890203949 /nfs/dbraw/zinc/20/39/49/890203949.db2.gz MHEHTIUWHGPDBG-UHFFFAOYSA-N 1 0 268.277 -0.474 20 5 CBBDRO NC(=O)c1ccnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC001347396312 890459909 /nfs/dbraw/zinc/45/99/09/890459909.db2.gz SHEQRWOIWTXDTA-HTQZYQBOSA-N 1 0 277.284 -0.256 20 5 CBBDRO CC[NH+]1CCN(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001347439931 890465258 /nfs/dbraw/zinc/46/52/58/890465258.db2.gz BGJLHCMYPJUZIQ-VXGBXAGGSA-N 1 0 282.344 -0.500 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001349156046 890766755 /nfs/dbraw/zinc/76/67/55/890766755.db2.gz OUIMJPAGRYBDBG-SSDOTTSWSA-N 1 0 253.262 -0.205 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH3+])CC2)n1 ZINC001351350258 891131529 /nfs/dbraw/zinc/13/15/29/891131529.db2.gz APNZHKDBXUKMEC-UHFFFAOYSA-N 1 0 289.317 -0.560 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC001459634497 914734399 /nfs/dbraw/zinc/73/43/99/914734399.db2.gz MKGFMCZQUVARNT-AOOOYVTPSA-N 1 0 270.289 -0.473 20 5 CBBDRO CO[C@@H]1COC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC001460209725 914768316 /nfs/dbraw/zinc/76/83/16/914768316.db2.gz UXCFNCPZJAPKKU-WDEREUQCSA-N 1 0 283.284 -0.240 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC001460220886 914774484 /nfs/dbraw/zinc/77/44/84/914774484.db2.gz MMWZMIXUJVITPL-WCBMZHEXSA-N 1 0 256.262 -0.924 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC001460774785 914817498 /nfs/dbraw/zinc/81/74/98/914817498.db2.gz PVEHDEWHQRQEBL-LPTSXCQYSA-N 1 0 296.327 -0.145 20 5 CBBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001472548346 915748631 /nfs/dbraw/zinc/74/86/31/915748631.db2.gz ZLJQVYKVJQKWPU-LLVKDONJSA-N 1 0 285.304 -0.250 20 5 CBBDRO NC(=O)C1(O)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001473469537 915821564 /nfs/dbraw/zinc/82/15/64/915821564.db2.gz ZVXOZEFHWXCTAU-UHFFFAOYSA-N 1 0 283.288 -0.897 20 5 CBBDRO COCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001493370736 919536624 /nfs/dbraw/zinc/53/66/24/919536624.db2.gz NEPPZTOOQYBXPE-GHMZBOCLSA-N 1 0 271.317 -0.121 20 5 CBBDRO O=C(NCC[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001556641974 924071885 /nfs/dbraw/zinc/07/18/85/924071885.db2.gz VNLHFFFFNAISGM-UHFFFAOYSA-N 1 0 283.288 -0.496 20 5 CBBDRO CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](CO)C1 ZINC001557712386 924133938 /nfs/dbraw/zinc/13/39/38/924133938.db2.gz XXZQTBRLAMABLF-SECBINFHSA-N 1 0 294.311 -0.075 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000125203387 187174012 /nfs/dbraw/zinc/17/40/12/187174012.db2.gz SUQFBNAAPWTEHE-MRVPVSSYSA-N 1 0 267.289 -0.080 20 5 CBBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1COC[C@H]1O ZINC000352795688 529939668 /nfs/dbraw/zinc/93/96/68/529939668.db2.gz UAQZAFHYQQSVJK-DTWKUNHWSA-N 1 0 256.262 -0.517 20 5 CBBDRO C[C@H](O)C[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000351936888 219255994 /nfs/dbraw/zinc/25/59/94/219255994.db2.gz MWCBIPFMQDILCL-VIFPVBQESA-N 1 0 258.278 -0.534 20 5 CBBDRO C[C@@H](O)C[N@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000351939901 219257708 /nfs/dbraw/zinc/25/77/08/219257708.db2.gz XQZRSNRPWBOMDF-SECBINFHSA-N 1 0 258.278 -0.534 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000339782177 215338381 /nfs/dbraw/zinc/33/83/81/215338381.db2.gz WXKGXNOSZBQAGF-RYUDHWBXSA-N 1 0 284.316 -0.001 20 5 CBBDRO CN1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000037887434 351410486 /nfs/dbraw/zinc/41/04/86/351410486.db2.gz IXETXFGYNFLXPR-LBPRGKRZSA-N 1 0 283.332 -0.164 20 5 CBBDRO O=C(CNC(=O)c1csc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000040507769 351415831 /nfs/dbraw/zinc/41/58/31/351415831.db2.gz MVDGYZQJBFSWKU-UHFFFAOYSA-N 1 0 298.324 -0.182 20 5 CBBDRO O=C(CNC(=O)c1ccc([N+](=O)[O-])o1)N1CC[NH2+]CC1 ZINC000040507910 351415848 /nfs/dbraw/zinc/41/58/48/351415848.db2.gz ZJGFVZITTWNPBE-UHFFFAOYSA-N 1 0 282.256 -0.651 20 5 CBBDRO C[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835090 351421431 /nfs/dbraw/zinc/42/14/31/351421431.db2.gz GQDDXHGWULPRFP-UHFFFAOYSA-N 1 0 279.300 -0.142 20 5 CBBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000052943237 351524168 /nfs/dbraw/zinc/52/41/68/351524168.db2.gz AUKPQAZQGJWIJT-WDEREUQCSA-N 1 0 265.269 -0.066 20 5 CBBDRO COCC[N@H+](C)CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055341538 351543295 /nfs/dbraw/zinc/54/32/95/351543295.db2.gz GLFUGDVYTJOUSL-UHFFFAOYSA-N 1 0 299.331 -0.124 20 5 CBBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000071149477 351643452 /nfs/dbraw/zinc/64/34/52/351643452.db2.gz HVIIPYCVUBYCCW-UHFFFAOYSA-N 1 0 295.343 -0.090 20 5 CBBDRO CC(C)C[N@@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075624269 351668357 /nfs/dbraw/zinc/66/83/57/351668357.db2.gz QPKAMBIYBOAGIQ-NSHDSACASA-N 1 0 299.331 -0.405 20 5 CBBDRO CC(C)[N@@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611830 351668549 /nfs/dbraw/zinc/66/85/49/351668549.db2.gz XDNRFQSHILCMKE-JTQLQIEISA-N 1 0 285.304 -0.652 20 5 CBBDRO CC[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075714358 351670338 /nfs/dbraw/zinc/67/03/38/351670338.db2.gz CZJCPWSKSWAYGE-JTQLQIEISA-N 1 0 258.278 -0.534 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2CO)c1 ZINC000075716052 351670405 /nfs/dbraw/zinc/67/04/05/351670405.db2.gz XSIBUVVPAZYNGT-MWLCHTKSSA-N 1 0 270.289 -0.391 20 5 CBBDRO C[N@H+](CCn1cccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075722014 351671048 /nfs/dbraw/zinc/67/10/48/351671048.db2.gz KBQSDJNKQWLULL-LBPRGKRZSA-N 1 0 294.315 -0.019 20 5 CBBDRO C[C@H](CO)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000086631471 351720106 /nfs/dbraw/zinc/72/01/06/351720106.db2.gz SVJSQCXZWBDCHG-WPRPVWTQSA-N 1 0 258.278 -0.630 20 5 CBBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC2C[NH2+]C2)c1 ZINC000090289347 351741401 /nfs/dbraw/zinc/74/14/01/351741401.db2.gz WMWAMDFYOSKCQP-UHFFFAOYSA-N 1 0 257.271 -0.155 20 5 CBBDRO C[C@H](CCO)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000097440675 351777841 /nfs/dbraw/zinc/77/78/41/351777841.db2.gz RXPMVWDLWYDFJD-MWLCHTKSSA-N 1 0 272.305 -0.240 20 5 CBBDRO C[C@@H](CCO)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000097440674 351777915 /nfs/dbraw/zinc/77/79/15/351777915.db2.gz RXPMVWDLWYDFJD-GXSJLCMTSA-N 1 0 272.305 -0.240 20 5 CBBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000093333011 351759377 /nfs/dbraw/zinc/75/93/77/351759377.db2.gz PHAHWUNPXZMYNF-USWWRNFRSA-N 1 0 284.316 -0.145 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(CO)CC2)c1 ZINC000122404542 351852377 /nfs/dbraw/zinc/85/23/77/351852377.db2.gz VQXZEYAFWXUVIW-SNVBAGLBSA-N 1 0 270.289 -0.486 20 5 CBBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C[NH3+])C1 ZINC000122584574 351852576 /nfs/dbraw/zinc/85/25/76/351852576.db2.gz JHMFFUWMRHHEBO-QMMMGPOBSA-N 1 0 268.273 -0.097 20 5 CBBDRO Cn1c(C(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124292287 351855560 /nfs/dbraw/zinc/85/55/60/351855560.db2.gz WUPMWRWTDSUVJH-VIFPVBQESA-N 1 0 281.316 -0.352 20 5 CBBDRO CC[C@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000124699009 351856970 /nfs/dbraw/zinc/85/69/70/351856970.db2.gz CAURWXJAHKHDRF-UWVGGRQHSA-N 1 0 258.278 -0.487 20 5 CBBDRO CC(C)[C@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000124820711 351857158 /nfs/dbraw/zinc/85/71/58/351857158.db2.gz ISXYKLSKARLBER-WDEREUQCSA-N 1 0 272.305 -0.241 20 5 CBBDRO C[NH+](C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000133909800 351903771 /nfs/dbraw/zinc/90/37/71/351903771.db2.gz PAMKEYUKJJFFIG-UHFFFAOYSA-N 1 0 270.293 -0.348 20 5 CBBDRO CC[C@@H](O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135043685 351910781 /nfs/dbraw/zinc/91/07/81/351910781.db2.gz ZBYFAAPDNBZTCR-GHMZBOCLSA-N 1 0 272.305 -0.097 20 5 CBBDRO [NH3+]C[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000160353235 351970501 /nfs/dbraw/zinc/97/05/01/351970501.db2.gz CVYVBYQYCSEILE-SECBINFHSA-N 1 0 280.284 -0.294 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000163129045 351980219 /nfs/dbraw/zinc/98/02/19/351980219.db2.gz UNQIJNMDZUKLOD-KOLCDFICSA-N 1 0 297.315 -0.244 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000165572426 351985732 /nfs/dbraw/zinc/98/57/32/351985732.db2.gz AVQYECUFCFQCGH-SSDOTTSWSA-N 1 0 254.246 -0.277 20 5 CBBDRO O=C1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000174845188 352051926 /nfs/dbraw/zinc/05/19/26/352051926.db2.gz RWMMJKUKYCKGCO-UHFFFAOYSA-N 1 0 253.262 -0.387 20 5 CBBDRO CN(CCn1ccc([N+](=O)[O-])n1)CCS(C)(=O)=O ZINC000176228332 352063245 /nfs/dbraw/zinc/06/32/45/352063245.db2.gz CIHDXLRXSHZJHO-UHFFFAOYSA-N 1 0 276.318 -0.232 20 5 CBBDRO C[C@H]1C(=O)NCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176226900 352063594 /nfs/dbraw/zinc/06/35/94/352063594.db2.gz OTACUKUIZGMBNV-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO COCC[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176250744 352064618 /nfs/dbraw/zinc/06/46/18/352064618.db2.gz WYPLFVXGPVJLRU-UHFFFAOYSA-N 1 0 258.278 -0.268 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[NH+]1CCCC1 ZINC000172126664 352021506 /nfs/dbraw/zinc/02/15/06/352021506.db2.gz NXKYKPKWEOFYLB-UHFFFAOYSA-N 1 0 294.311 -0.032 20 5 CBBDRO COCCC[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172669033 352028459 /nfs/dbraw/zinc/02/84/59/352028459.db2.gz JGOCVXUDHLVTHW-UHFFFAOYSA-N 1 0 299.331 -0.124 20 5 CBBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000186761173 352131136 /nfs/dbraw/zinc/13/11/36/352131136.db2.gz WRQPJKCGNZPVNQ-KOLCDFICSA-N 1 0 294.311 -0.129 20 5 CBBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000186820342 352132454 /nfs/dbraw/zinc/13/24/54/352132454.db2.gz BUCRDJPIUVKGFK-DTWKUNHWSA-N 1 0 267.289 -0.095 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[N@@H+]1CCCOCC1 ZINC000189436548 352169434 /nfs/dbraw/zinc/16/94/34/352169434.db2.gz GYFVGJBFBQKUQP-UHFFFAOYSA-N 1 0 297.315 -0.370 20 5 CBBDRO Cc1c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000226382641 352252024 /nfs/dbraw/zinc/25/20/24/352252024.db2.gz LEIVTMZGWVGGTD-GFCCVEGCSA-N 1 0 294.315 -0.016 20 5 CBBDRO Cc1c(CNC(=O)CNC(=O)C[NH3+])cccc1[N+](=O)[O-] ZINC000231857066 352278278 /nfs/dbraw/zinc/27/82/78/352278278.db2.gz PKNJSUNCRFXRCE-UHFFFAOYSA-N 1 0 280.284 -0.406 20 5 CBBDRO C[C@@H](C[NH3+])N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000237421270 352304628 /nfs/dbraw/zinc/30/46/28/352304628.db2.gz QZQTWQAIGPTXAN-QMMMGPOBSA-N 1 0 255.278 -0.013 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C[NH2+]1 ZINC000237442351 352305311 /nfs/dbraw/zinc/30/53/11/352305311.db2.gz ACUVQDZZCZTGAN-NXEZZACHSA-N 1 0 294.311 -0.035 20 5 CBBDRO O=C(CN1C[C@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000245687678 352323447 /nfs/dbraw/zinc/32/34/47/352323447.db2.gz LAXFLQPKVOEJIT-VHSXEESVSA-N 1 0 295.295 -0.039 20 5 CBBDRO C[C@@]1(O)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248342720 352350151 /nfs/dbraw/zinc/35/01/51/352350151.db2.gz JSRDGCSYONGVEG-GHMZBOCLSA-N 1 0 270.289 -0.391 20 5 CBBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000252874696 352380206 /nfs/dbraw/zinc/38/02/06/352380206.db2.gz WEWOCMRRHJGYPW-KKZNHRDASA-N 1 0 272.305 -0.241 20 5 CBBDRO C[C@H](CO)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](C)O ZINC000248957760 352358876 /nfs/dbraw/zinc/35/88/76/352358876.db2.gz QMSURNZKPXZMGW-ZJUUUORDSA-N 1 0 272.305 -0.145 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262051360 352405137 /nfs/dbraw/zinc/40/51/37/352405137.db2.gz MOJFMIJUBDDAMY-VIFPVBQESA-N 1 0 294.315 -0.562 20 5 CBBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000292098705 198162545 /nfs/dbraw/zinc/16/25/45/198162545.db2.gz GDUIZOIPEKVSIF-KOLCDFICSA-N 1 0 272.305 -0.145 20 5 CBBDRO C[C@@H](C[NH+](C)C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000287353941 352655127 /nfs/dbraw/zinc/65/51/27/352655127.db2.gz ZXBDWHCJTLLIEU-VIFPVBQESA-N 1 0 282.300 -0.177 20 5 CBBDRO CO[C@H]1COC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000290080621 352672657 /nfs/dbraw/zinc/67/26/57/352672657.db2.gz GYQAHKNLBPSKFS-IUCAKERBSA-N 1 0 256.262 -0.205 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290174818 352673047 /nfs/dbraw/zinc/67/30/47/352673047.db2.gz PDAGJSKNLJJDAW-UWVGGRQHSA-N 1 0 279.300 -0.141 20 5 CBBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000290668261 352679114 /nfs/dbraw/zinc/67/91/14/352679114.db2.gz PBVCVFMXMOGATI-UHFFFAOYSA-N 1 0 298.347 -0.069 20 5 CBBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299638484 352727127 /nfs/dbraw/zinc/72/71/27/352727127.db2.gz PORPISRRUKGEKZ-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO CN1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300688882 352734728 /nfs/dbraw/zinc/73/47/28/352734728.db2.gz AKWLXJBBBVOYCL-JQWIXIFHSA-N 1 0 283.332 -0.164 20 5 CBBDRO CN1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300688883 352734834 /nfs/dbraw/zinc/73/48/34/352734834.db2.gz AKWLXJBBBVOYCL-PWSUYJOCSA-N 1 0 283.332 -0.164 20 5 CBBDRO COCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000312722059 352776004 /nfs/dbraw/zinc/77/60/04/352776004.db2.gz IOTBAUZUTCFUJE-LLVKDONJSA-N 1 0 285.300 -0.304 20 5 CBBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000305764402 352750503 /nfs/dbraw/zinc/75/05/03/352750503.db2.gz PHAHWUNPXZMYNF-YUSALJHKSA-N 1 0 284.316 -0.145 20 5 CBBDRO CC(C)(O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000311953776 352771968 /nfs/dbraw/zinc/77/19/68/352771968.db2.gz ZRBKDLCSFDXIDP-JTQLQIEISA-N 1 0 272.305 -0.097 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000330554248 352846777 /nfs/dbraw/zinc/84/67/77/352846777.db2.gz DERGVNAMQLBHQR-SECBINFHSA-N 1 0 297.315 -0.269 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000179190715 137644006 /nfs/dbraw/zinc/64/40/06/137644006.db2.gz IAQHFBYORGPFEJ-ZETCQYMHSA-N 1 0 255.278 -0.095 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343641653 353283056 /nfs/dbraw/zinc/28/30/56/353283056.db2.gz OGKRMVXMQDJLPY-GFCCVEGCSA-N 1 0 294.315 -0.212 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347956989 353401907 /nfs/dbraw/zinc/40/19/07/353401907.db2.gz UMEJMDZMYCQPTK-SNVBAGLBSA-N 1 0 294.315 -0.261 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353222589 353528837 /nfs/dbraw/zinc/52/88/37/353528837.db2.gz ZWGNXHZGZVEBHJ-SSDOTTSWSA-N 1 0 289.317 -0.549 20 5 CBBDRO CN1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000352657297 353499245 /nfs/dbraw/zinc/49/92/45/353499245.db2.gz GCMHBXPWGNENKT-MNOVXSKESA-N 1 0 297.315 -0.685 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000358358569 353639980 /nfs/dbraw/zinc/63/99/80/353639980.db2.gz UHJUZSODBCQPQA-GFCCVEGCSA-N 1 0 295.299 -0.433 20 5 CBBDRO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO1 ZINC000371649940 353704728 /nfs/dbraw/zinc/70/47/28/353704728.db2.gz KTKPDLHESFBBHU-OPRDCNLKSA-N 1 0 257.290 -0.559 20 5 CBBDRO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CCO1 ZINC000371649942 353705274 /nfs/dbraw/zinc/70/52/74/353705274.db2.gz KTKPDLHESFBBHU-UTLUCORTSA-N 1 0 257.290 -0.559 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000408375674 353906833 /nfs/dbraw/zinc/90/68/33/353906833.db2.gz UGJDYLUDMRVUJY-DTORHVGOSA-N 1 0 279.300 -0.038 20 5 CBBDRO CN(C(=O)Nc1ccncc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000415384534 353964057 /nfs/dbraw/zinc/96/40/57/353964057.db2.gz MXUJQHLQYIAWSW-UHFFFAOYSA-N 1 0 251.246 -0.153 20 5 CBBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000446400407 354287616 /nfs/dbraw/zinc/28/76/16/354287616.db2.gz JXPVBOZMARJSMW-HTQZYQBOSA-N 1 0 268.277 -0.428 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[C@H]1CCC[NH2+]1 ZINC000444269343 354267629 /nfs/dbraw/zinc/26/76/29/354267629.db2.gz UEIFSJJRFVZPEC-MRVPVSSYSA-N 1 0 268.277 -0.555 20 5 CBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000449701491 354321885 /nfs/dbraw/zinc/32/18/85/354321885.db2.gz SPQWUHZJVIFOJP-SECBINFHSA-N 1 0 293.327 -0.190 20 5 CBBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452379171 354349191 /nfs/dbraw/zinc/34/91/91/354349191.db2.gz QLXMYGSZEMQJRY-VIFPVBQESA-N 1 0 297.315 -0.106 20 5 CBBDRO COC(=O)CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000519545380 354562315 /nfs/dbraw/zinc/56/23/15/354562315.db2.gz VEYCOSGLYYGMBQ-JTQLQIEISA-N 1 0 286.288 -0.305 20 5 CBBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000562978115 354691082 /nfs/dbraw/zinc/69/10/82/354691082.db2.gz WVNOVWIAHJUKJF-YUMQZZPRSA-N 1 0 255.278 -0.109 20 5 CBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(CO)CO ZINC000566423240 354765461 /nfs/dbraw/zinc/76/54/61/354765461.db2.gz CMORQSMZOCRRHF-UHFFFAOYSA-N 1 0 283.284 -0.215 20 5 CBBDRO CN(CCC[NH3+])S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567110090 354781589 /nfs/dbraw/zinc/78/15/89/354781589.db2.gz QRPYFRMFMVAJCU-UHFFFAOYSA-N 1 0 274.302 -0.041 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000572167428 354888018 /nfs/dbraw/zinc/88/80/18/354888018.db2.gz FKQVVJJNULWEMU-ONGXEEELSA-N 1 0 281.316 -0.109 20 5 CBBDRO O=C(NCCCN1CC[NH2+]CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000572481096 354892218 /nfs/dbraw/zinc/89/22/18/354892218.db2.gz PVPBGPLTIDIYJH-UHFFFAOYSA-N 1 0 282.304 -0.657 20 5 CBBDRO [NH3+]C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCC1 ZINC000579222065 354965067 /nfs/dbraw/zinc/96/50/67/354965067.db2.gz AGWKVNXZACWADK-SECBINFHSA-N 1 0 282.304 -0.180 20 5 CBBDRO C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000584816754 355039350 /nfs/dbraw/zinc/03/93/50/355039350.db2.gz YJLRVODXDOGKTB-SSDOTTSWSA-N 1 0 253.262 -0.001 20 5 CBBDRO Cc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n(C)n1 ZINC000583560377 355020480 /nfs/dbraw/zinc/02/04/80/355020480.db2.gz INJBNQPMJKPDBQ-GFCCVEGCSA-N 1 0 294.315 -0.016 20 5 CBBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000590044102 355073823 /nfs/dbraw/zinc/07/38/23/355073823.db2.gz GYCRAVMTCBZOMU-KOLCDFICSA-N 1 0 279.300 -0.046 20 5 CBBDRO Cn1c(C(=O)N[C@@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000590369427 355076201 /nfs/dbraw/zinc/07/62/01/355076201.db2.gz GHODHUCSHZUOOP-MRVPVSSYSA-N 1 0 270.289 -0.414 20 5 CBBDRO Cc1n[nH]c(C(=O)N[C@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000588865187 355061990 /nfs/dbraw/zinc/06/19/90/355061990.db2.gz YJOMTDDQRPNXAM-ZETCQYMHSA-N 1 0 271.277 -0.721 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000588863773 355062195 /nfs/dbraw/zinc/06/21/95/355062195.db2.gz KQXACLGOBMCGOR-MRVPVSSYSA-N 1 0 282.300 -0.171 20 5 CBBDRO O=C1NCCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591735404 355112090 /nfs/dbraw/zinc/11/20/90/355112090.db2.gz YYVMPAMLMHFOKS-KOLCDFICSA-N 1 0 297.315 -0.732 20 5 CBBDRO O=C([C@@H]1C[NH2+]CCO1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562803 355164202 /nfs/dbraw/zinc/16/42/02/355164202.db2.gz OVQMEVIFPKFMHN-LBPRGKRZSA-N 1 0 292.295 -0.137 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592565380 355165409 /nfs/dbraw/zinc/16/54/09/355165409.db2.gz ZUFZESYAZBYVPV-QNSHHTMESA-N 1 0 265.273 -0.342 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592565148 355165593 /nfs/dbraw/zinc/16/55/93/355165593.db2.gz UQYNTUNCHUUGKU-MYJAWHEDSA-N 1 0 265.273 -0.627 20 5 CBBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592201762 355140031 /nfs/dbraw/zinc/14/00/31/355140031.db2.gz GUZLEQVTWZYVGV-YUSALJHKSA-N 1 0 284.316 -0.003 20 5 CBBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000592224678 355144802 /nfs/dbraw/zinc/14/48/02/355144802.db2.gz OFGSFAVQKKEIRM-PSASIEDQSA-N 1 0 267.289 -0.095 20 5 CBBDRO CCn1cc(S(=O)(=O)NC[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000592383345 355151165 /nfs/dbraw/zinc/15/11/65/355151165.db2.gz OQTSXXSGBRFAIT-ZCFIWIBFSA-N 1 0 277.306 -0.563 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000592477268 355156429 /nfs/dbraw/zinc/15/64/29/355156429.db2.gz UMGZFCBSQWJBSI-IUCAKERBSA-N 1 0 283.288 -0.634 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000592477204 355156517 /nfs/dbraw/zinc/15/65/17/355156517.db2.gz SLURAZXATHXFNB-WCBMZHEXSA-N 1 0 283.288 -0.634 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000592985014 355188786 /nfs/dbraw/zinc/18/87/86/355188786.db2.gz ZXYQPJFOASHJDQ-MWLCHTKSSA-N 1 0 269.305 -0.161 20 5 CBBDRO CCO[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593916372 355230107 /nfs/dbraw/zinc/23/01/07/355230107.db2.gz IODGBQVDWAGBHE-VXNVDRBHSA-N 1 0 283.288 -0.246 20 5 CBBDRO CCO[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1C[NH3+] ZINC000593917032 355230118 /nfs/dbraw/zinc/23/01/18/355230118.db2.gz UOYFEIMRJXDCIQ-PSASIEDQSA-N 1 0 297.315 -0.236 20 5 CBBDRO CCO[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000593917205 355230517 /nfs/dbraw/zinc/23/05/17/355230517.db2.gz WTEWAORNQPDOCF-RKDXNWHRSA-N 1 0 298.303 -0.992 20 5 CBBDRO [NH3+]C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(F)(F)F ZINC000594451373 355248756 /nfs/dbraw/zinc/24/87/56/355248756.db2.gz SNTWWUWUYBFLJV-BYPYZUCNSA-N 1 0 267.167 -0.063 20 5 CBBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595101870 355271657 /nfs/dbraw/zinc/27/16/57/355271657.db2.gz HRUHFUNFCQPGJE-SSDOTTSWSA-N 1 0 274.302 -0.043 20 5 CBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[NH2+]CC2)nc1 ZINC000595104539 355271704 /nfs/dbraw/zinc/27/17/04/355271704.db2.gz IUWLPYFCQYVPBX-UHFFFAOYSA-N 1 0 286.313 -0.026 20 5 CBBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595104011 355271735 /nfs/dbraw/zinc/27/17/35/355271735.db2.gz AWKXVKVWSVGOTM-QMMMGPOBSA-N 1 0 286.313 -0.028 20 5 CBBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595119075 355272291 /nfs/dbraw/zinc/27/22/91/355272291.db2.gz LIPVATCTFXSUBU-SSDOTTSWSA-N 1 0 274.302 -0.124 20 5 CBBDRO C[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1[NH3+] ZINC000595229097 355273979 /nfs/dbraw/zinc/27/39/79/355273979.db2.gz QUJFOGSPCFNJOX-BDAKNGLRSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[NH2+]C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000595984920 355335733 /nfs/dbraw/zinc/33/57/33/355335733.db2.gz XYRBWGXZASMMPL-MRVPVSSYSA-N 1 0 268.273 -0.519 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC3(COC3)C2)c1 ZINC000595832163 355310891 /nfs/dbraw/zinc/31/08/91/355310891.db2.gz CRCAHUKYZIBYRK-NSHDSACASA-N 1 0 282.300 -0.126 20 5 CBBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C1(O)C[NH2+]C1 ZINC000595922926 355318602 /nfs/dbraw/zinc/31/86/02/355318602.db2.gz MHBRNYFJGVVMRB-UHFFFAOYSA-N 1 0 280.284 -0.543 20 5 CBBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[C@H]1F ZINC000595946250 355324085 /nfs/dbraw/zinc/32/40/85/355324085.db2.gz COZGMNASFHMCBR-PHDIDXHHSA-N 1 0 257.225 -0.171 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595949645 355325977 /nfs/dbraw/zinc/32/59/77/355325977.db2.gz YEJRLIKGZKIKSL-RNFRBKRXSA-N 1 0 271.252 -0.160 20 5 CBBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595956598 355328136 /nfs/dbraw/zinc/32/81/36/355328136.db2.gz OFRRDKYSUXMRSQ-ZJUUUORDSA-N 1 0 283.288 -0.729 20 5 CBBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])cn1 ZINC000596462698 355357835 /nfs/dbraw/zinc/35/78/35/355357835.db2.gz NWCMQJPVAPMYAY-UHFFFAOYSA-N 1 0 296.331 -0.159 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000597623596 355402024 /nfs/dbraw/zinc/40/20/24/355402024.db2.gz BFJOGXPGYPGNDW-SECBINFHSA-N 1 0 294.315 -0.562 20 5 CBBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000598670285 355449978 /nfs/dbraw/zinc/44/99/78/355449978.db2.gz TVCFVRWCSLEROW-KCJUWKMLSA-N 1 0 280.288 -0.474 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597654216 355403400 /nfs/dbraw/zinc/40/34/00/355403400.db2.gz PSCQSZJBWZLISZ-SSDOTTSWSA-N 1 0 256.262 -0.425 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598162013 355433430 /nfs/dbraw/zinc/43/34/30/355433430.db2.gz GGNXAKWKNMHMTC-UHFFFAOYSA-N 1 0 268.277 -0.794 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643686 355505815 /nfs/dbraw/zinc/50/58/15/355505815.db2.gz DEIRWKBCKQJFJQ-WCABBAIRSA-N 1 0 297.315 -0.652 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644662 355506260 /nfs/dbraw/zinc/50/62/60/355506260.db2.gz LWOJYQXNHWFUQT-JGZJWPJOSA-N 1 0 294.311 -0.048 20 5 CBBDRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914412 355456107 /nfs/dbraw/zinc/45/61/07/355456107.db2.gz CNJSNLFABHRCHB-SSDOTTSWSA-N 1 0 266.257 -0.003 20 5 CBBDRO [NH3+]CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598917085 355456118 /nfs/dbraw/zinc/45/61/18/355456118.db2.gz VIRDYFCPPGAJIS-UHFFFAOYSA-N 1 0 266.257 -0.002 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[NH3+])n1 ZINC000599098195 355463438 /nfs/dbraw/zinc/46/34/38/355463438.db2.gz QPJDQTYOYDDMSN-UHFFFAOYSA-N 1 0 277.306 -0.656 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)n1 ZINC000599095557 355463673 /nfs/dbraw/zinc/46/36/73/355463673.db2.gz GZROXZZNRHQMHR-SSDOTTSWSA-N 1 0 289.317 -0.560 20 5 CBBDRO CCC[NH2+]CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599109354 355465426 /nfs/dbraw/zinc/46/54/26/355465426.db2.gz UWWHKBZHLPBXQO-UHFFFAOYSA-N 1 0 291.333 -0.394 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599681346 355508557 /nfs/dbraw/zinc/50/85/57/355508557.db2.gz NKJZHRIIDWXENC-WKSBVSIWSA-N 1 0 296.327 -0.003 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cn1 ZINC000600808000 355566899 /nfs/dbraw/zinc/56/68/99/355566899.db2.gz GGVPKMNOAHUORJ-JTQLQIEISA-N 1 0 280.284 -0.214 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602592820 355663911 /nfs/dbraw/zinc/66/39/11/355663911.db2.gz UTXLBBWMTLJZKX-DTORHVGOSA-N 1 0 265.273 -0.246 20 5 CBBDRO C[NH2+]CCOCCN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000603430850 355715136 /nfs/dbraw/zinc/71/51/36/355715136.db2.gz VIZVFRIAIGXDPW-UHFFFAOYSA-N 1 0 271.321 -0.004 20 5 CBBDRO Cn1cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])n1 ZINC000603428660 355715461 /nfs/dbraw/zinc/71/54/61/355715461.db2.gz LATYLGZUXGRLKR-GFCCVEGCSA-N 1 0 294.359 -0.192 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCCO)C2CC2)c1 ZINC000610369665 355777886 /nfs/dbraw/zinc/77/78/86/355777886.db2.gz RRMSYBXJWNOKLV-LBPRGKRZSA-N 1 0 284.316 -0.001 20 5 CBBDRO C[C@@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000610654051 355784182 /nfs/dbraw/zinc/78/41/82/355784182.db2.gz FROMOJQYFFCYCV-RKDXNWHRSA-N 1 0 294.315 -0.072 20 5 CBBDRO CC[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C ZINC000611088431 355793378 /nfs/dbraw/zinc/79/33/78/355793378.db2.gz VBSXFFCRNSCEMG-VIFPVBQESA-N 1 0 282.304 -0.261 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000611185730 355796770 /nfs/dbraw/zinc/79/67/70/355796770.db2.gz VVBXUHYJWPPJDA-QWRGUYRKSA-N 1 0 278.312 -0.092 20 5 CBBDRO C[NH+](C)CC1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 ZINC000341955638 216166551 /nfs/dbraw/zinc/16/65/51/216166551.db2.gz YTKDTONNBDIIHW-UHFFFAOYSA-N 1 0 282.304 -0.213 20 5 CBBDRO C[NH+]1CCN(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000298682145 200502917 /nfs/dbraw/zinc/50/29/17/200502917.db2.gz AEAHZCPJEYWKFS-UHFFFAOYSA-N 1 0 281.320 -0.374 20 5 CBBDRO CN(C(=O)CN(CC[NH3+])CCO)c1ccc([N+](=O)[O-])cc1 ZINC000342380162 216331973 /nfs/dbraw/zinc/33/19/73/216331973.db2.gz BUEXDMLJRHTCOX-UHFFFAOYSA-N 1 0 296.327 -0.189 20 5 CBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000330588364 203007540 /nfs/dbraw/zinc/00/75/40/203007540.db2.gz YPTNLUSBWOLVGR-SECBINFHSA-N 1 0 297.315 -0.221 20 5 CBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000330695231 203126055 /nfs/dbraw/zinc/12/60/55/203126055.db2.gz IZXBIKWLRZYKNA-SNVBAGLBSA-N 1 0 296.331 -0.847 20 5 CBBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330923218 203393072 /nfs/dbraw/zinc/39/30/72/203393072.db2.gz CNLOORSKKUUHLG-VIFPVBQESA-N 1 0 282.304 -0.261 20 5 CBBDRO NC(=O)[C@]1(O)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000276461727 193341059 /nfs/dbraw/zinc/34/10/59/193341059.db2.gz OUVHCLJLSPGYSH-ZDUSSCGKSA-N 1 0 295.295 -0.104 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574392021 335015295 /nfs/dbraw/zinc/01/52/95/335015295.db2.gz JTZDWDYEYGEGKC-SNVBAGLBSA-N 1 0 296.331 -0.880 20 5 CBBDRO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C[NH3+])C1 ZINC000574400361 335016486 /nfs/dbraw/zinc/01/64/86/335016486.db2.gz IILYQZYNURQACP-YUMQZZPRSA-N 1 0 283.288 -0.104 20 5 CBBDRO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C[NH3+])C1 ZINC000574400360 335016514 /nfs/dbraw/zinc/01/65/14/335016514.db2.gz IILYQZYNURQACP-SFYZADRCSA-N 1 0 283.288 -0.104 20 5 CBBDRO C[C@]1(C(N)=O)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361558173 373308960 /nfs/dbraw/zinc/30/89/60/373308960.db2.gz VAXNRHASEZXPSG-JQWIXIFHSA-N 1 0 297.315 -0.651 20 5 CBBDRO C[NH2+]CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000519830609 373825460 /nfs/dbraw/zinc/82/54/60/373825460.db2.gz WYYBDJGBCDMBMD-UHFFFAOYSA-N 1 0 274.302 -0.122 20 5 CBBDRO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000552077722 374259713 /nfs/dbraw/zinc/25/97/13/374259713.db2.gz VLUTWRHHFDUUAV-ZETCQYMHSA-N 1 0 298.303 -0.886 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000554744085 374281675 /nfs/dbraw/zinc/28/16/75/374281675.db2.gz WBDPDCHIKUVTOO-MWLCHTKSSA-N 1 0 270.289 -0.534 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000554744083 374283134 /nfs/dbraw/zinc/28/31/34/374283134.db2.gz WBDPDCHIKUVTOO-GXSJLCMTSA-N 1 0 270.289 -0.534 20 5 CBBDRO Cc1nn(C)c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000577887147 374344754 /nfs/dbraw/zinc/34/47/54/374344754.db2.gz GKIIIQGYLOHIGA-IUCAKERBSA-N 1 0 294.315 -0.615 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000579714779 374354516 /nfs/dbraw/zinc/35/45/16/374354516.db2.gz VUXLCPBWDDVANW-NXEZZACHSA-N 1 0 294.311 -0.035 20 5 CBBDRO COC[C@@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCC[NH2+]1 ZINC000357257087 248339627 /nfs/dbraw/zinc/33/96/27/248339627.db2.gz LKXNPRNECXTZCB-LBPRGKRZSA-N 1 0 297.315 -0.324 20 5 CBBDRO COC[C@](C)([NH3+])CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357536229 248374036 /nfs/dbraw/zinc/37/40/36/248374036.db2.gz UDUYGPIMBHQQAL-LLVKDONJSA-N 1 0 283.288 -0.136 20 5 CBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264760373 190133341 /nfs/dbraw/zinc/13/33/41/190133341.db2.gz OESDHOYVTCPNHJ-SECBINFHSA-N 1 0 281.316 -0.102 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000514601748 248908695 /nfs/dbraw/zinc/90/86/95/248908695.db2.gz AXOVXAMDKPXSJQ-BQBZGAKWSA-N 1 0 255.278 -0.048 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH+]2[C@H](CO)CC[C@H]2CO)c1 ZINC000347325960 218192445 /nfs/dbraw/zinc/19/24/45/218192445.db2.gz ZWUBESRXISWXRO-UWVGGRQHSA-N 1 0 270.289 -0.391 20 5 CBBDRO C[C@H](O)CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266512026 190262739 /nfs/dbraw/zinc/26/27/39/190262739.db2.gz BMQQXPAEODFRPC-GXSJLCMTSA-N 1 0 272.305 -0.145 20 5 CBBDRO COCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266527522 190264448 /nfs/dbraw/zinc/26/44/48/190264448.db2.gz DNZQKZJHWMTKFK-JTQLQIEISA-N 1 0 258.278 -0.270 20 5 CBBDRO COCC[N@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266526952 190264003 /nfs/dbraw/zinc/26/40/03/190264003.db2.gz KRSXHSKWYJXETH-LLVKDONJSA-N 1 0 288.304 -0.907 20 5 CBBDRO CC[N@H+](CCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266604370 190270560 /nfs/dbraw/zinc/27/05/60/190270560.db2.gz XXUVZKYQRSAQRE-NSHDSACASA-N 1 0 272.305 -0.144 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@H](C)C[NH3+])c([N+](=O)[O-])n1 ZINC000347612283 218290064 /nfs/dbraw/zinc/29/00/64/218290064.db2.gz QFYNNOHBNNCPGS-ZCFIWIBFSA-N 1 0 277.306 -0.563 20 5 CBBDRO CC[C@@](C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000133429283 207377086 /nfs/dbraw/zinc/37/70/86/207377086.db2.gz SYSNYXRTHUZPPT-MWLCHTKSSA-N 1 0 285.304 -0.604 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)[NH2+]1 ZINC000154087007 207382032 /nfs/dbraw/zinc/38/20/32/207382032.db2.gz JDYBFYGBYUACHU-AOOOYVTPSA-N 1 0 294.311 -0.035 20 5 CBBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155548186 207385481 /nfs/dbraw/zinc/38/54/81/207385481.db2.gz VTTVXAWGLWVONM-RKDXNWHRSA-N 1 0 282.304 -0.263 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[NH2+]1 ZINC000178738564 207422324 /nfs/dbraw/zinc/42/23/24/207422324.db2.gz NZACEIXVKVJPBW-QMMMGPOBSA-N 1 0 253.262 -0.341 20 5 CBBDRO CCC(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000425522144 208026329 /nfs/dbraw/zinc/02/63/29/208026329.db2.gz VACSUKBSFOOLLY-NSHDSACASA-N 1 0 297.315 -0.336 20 5 CBBDRO CCC(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000425522143 208026534 /nfs/dbraw/zinc/02/65/34/208026534.db2.gz VACSUKBSFOOLLY-LLVKDONJSA-N 1 0 297.315 -0.336 20 5 CBBDRO [NH3+]CC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000428807293 208101988 /nfs/dbraw/zinc/10/19/88/208101988.db2.gz ZSMDDPBLLJCAHX-UHFFFAOYSA-N 1 0 267.289 -0.011 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[NH3+] ZINC000428499045 208089602 /nfs/dbraw/zinc/08/96/02/208089602.db2.gz VFFHHDSUVSXANR-UHFFFAOYSA-N 1 0 255.278 -0.045 20 5 CBBDRO [NH3+]C[C@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000428519720 208090147 /nfs/dbraw/zinc/09/01/47/208090147.db2.gz CXUMCCMHAVHINQ-MRVPVSSYSA-N 1 0 268.277 -0.474 20 5 CBBDRO CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[NH2+]C1 ZINC000429108906 208110492 /nfs/dbraw/zinc/11/04/92/208110492.db2.gz IVWIKAHBADYSEA-SECBINFHSA-N 1 0 282.304 -0.213 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000429158518 208111604 /nfs/dbraw/zinc/11/16/04/208111604.db2.gz OYTMTCAYPFEMLS-SCZZXKLOSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[C@H]1[NH2+]CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1C ZINC000434672739 208263960 /nfs/dbraw/zinc/26/39/60/208263960.db2.gz ZLVFBTOWZHVGEA-HTQZYQBOSA-N 1 0 268.277 -0.605 20 5 CBBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O ZINC000440964160 208347909 /nfs/dbraw/zinc/34/79/09/208347909.db2.gz NLPBFMHJEJIQKK-GHMZBOCLSA-N 1 0 297.315 -0.637 20 5 CBBDRO CSCC[C@@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000353768020 220319379 /nfs/dbraw/zinc/31/93/79/220319379.db2.gz ORNYQACVXIWCKQ-SECBINFHSA-N 1 0 287.345 -0.012 20 5 CBBDRO C[NH+](C)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000574820588 335050364 /nfs/dbraw/zinc/05/03/64/335050364.db2.gz ORXBYWLVFTWDNN-UWVGGRQHSA-N 1 0 269.305 -0.602 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)[C@@H]2CCCO2)c1 ZINC000447901821 285189932 /nfs/dbraw/zinc/18/99/32/285189932.db2.gz CWXKKFBJSDQPMO-QWRGUYRKSA-N 1 0 270.289 -0.079 20 5 CBBDRO C[C@H](CO)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000284804307 196134842 /nfs/dbraw/zinc/13/48/42/196134842.db2.gz OUMRRMWTKFTDOE-SCZZXKLOSA-N 1 0 258.278 -0.535 20 5 CBBDRO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285121437 196201230 /nfs/dbraw/zinc/20/12/30/196201230.db2.gz VNXJRXNSZWMFJF-UHFFFAOYSA-N 1 0 296.331 -0.363 20 5 CBBDRO COCC[N@H+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000041967701 419422213 /nfs/dbraw/zinc/42/22/13/419422213.db2.gz XKNMQFGPPQZYNO-UHFFFAOYSA-N 1 0 299.331 -0.124 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000358512676 419896825 /nfs/dbraw/zinc/89/68/25/419896825.db2.gz HVBZCOAHDNPUTN-SNVBAGLBSA-N 1 0 283.288 -0.633 20 5 CBBDRO Nc1nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571473 420028558 /nfs/dbraw/zinc/02/85/58/420028558.db2.gz NXJCXCVIQKJLHY-RKDXNWHRSA-N 1 0 294.315 -0.336 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368385843 420130961 /nfs/dbraw/zinc/13/09/61/420130961.db2.gz RFJOQFGEWWYSCV-YUMQZZPRSA-N 1 0 271.252 -0.393 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000365851941 420070800 /nfs/dbraw/zinc/07/08/00/420070800.db2.gz XQDDKFZPPAVKDZ-STQMWFEESA-N 1 0 296.327 -0.001 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1 ZINC000366052571 420074816 /nfs/dbraw/zinc/07/48/16/420074816.db2.gz LSOIRLLVSICKNZ-AXFHLTTASA-N 1 0 269.301 -0.415 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405207341 420226051 /nfs/dbraw/zinc/22/60/51/420226051.db2.gz AZBFAVDPNCXZBC-VHSXEESVSA-N 1 0 295.299 -0.931 20 5 CBBDRO C[NH2+]C[C@@H](O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519659825 420385436 /nfs/dbraw/zinc/38/54/36/420385436.db2.gz ZGZJZTNIXDMBAO-NEPJUHHUSA-N 1 0 299.327 -0.496 20 5 CBBDRO C[NH2+]C[C@H](O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519660265 420386976 /nfs/dbraw/zinc/38/69/76/420386976.db2.gz ZGZJZTNIXDMBAO-RYUDHWBXSA-N 1 0 299.327 -0.496 20 5 CBBDRO C[NH+](C)C[C@H](CO)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000596244522 420488380 /nfs/dbraw/zinc/48/83/80/420488380.db2.gz RCVPEFQCNHPUNR-ZCFIWIBFSA-N 1 0 256.266 -0.699 20 5 CBBDRO CC(C)C[C@H](C[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000236583860 269577682 /nfs/dbraw/zinc/57/76/82/269577682.db2.gz JRQNKMVYDSZLNI-MRVPVSSYSA-N 1 0 270.293 -0.324 20 5 CBBDRO CCC([NH3+])(CC)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000236774645 269578378 /nfs/dbraw/zinc/57/83/78/269578378.db2.gz IZOZMPFBIGWTBO-UHFFFAOYSA-N 1 0 270.293 -0.180 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376122133 280112884 /nfs/dbraw/zinc/11/28/84/280112884.db2.gz FHLQFYDFCPKAMS-HBNTYKKESA-N 1 0 268.317 -0.842 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000563087524 327914089 /nfs/dbraw/zinc/91/40/89/327914089.db2.gz UGWMQIVKCUAHBO-VIFPVBQESA-N 1 0 294.315 -0.562 20 5 CBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000571047634 327984864 /nfs/dbraw/zinc/98/48/64/327984864.db2.gz GFSHBPJAWBSZOA-VIFPVBQESA-N 1 0 293.327 -0.190 20 5 CBBDRO CO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564930293 327158864 /nfs/dbraw/zinc/15/88/64/327158864.db2.gz NUJXGPKCNNQGCL-HBNTYKKESA-N 1 0 286.288 -0.844 20 5 CBBDRO CO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564930290 327159060 /nfs/dbraw/zinc/15/90/60/327159060.db2.gz NUJXGPKCNNQGCL-GMTAPVOTSA-N 1 0 286.288 -0.844 20 5 CBBDRO O=C(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)NCC1CC1 ZINC000393084282 329066758 /nfs/dbraw/zinc/06/67/58/329066758.db2.gz TZTOKIFCRLFFDM-NSHDSACASA-N 1 0 297.315 -0.732 20 5 CBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000394068332 329100739 /nfs/dbraw/zinc/10/07/39/329100739.db2.gz NDHULTHMVXEKQF-QMMMGPOBSA-N 1 0 267.289 -0.444 20 5 CBBDRO O=C(COC1C[NH2+]C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000582726851 329131691 /nfs/dbraw/zinc/13/16/91/329131691.db2.gz MVJLESWZFIDYLS-UHFFFAOYSA-N 1 0 292.295 -0.137 20 5 CBBDRO CC[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000583085300 329312246 /nfs/dbraw/zinc/31/22/46/329312246.db2.gz ZNZGBBPQCZMQNG-MRVPVSSYSA-N 1 0 268.273 -0.390 20 5 CBBDRO O=C(C[C@H]1C[NH2+]CCO1)NCCn1cc([N+](=O)[O-])cn1 ZINC000572400801 330060641 /nfs/dbraw/zinc/06/06/41/330060641.db2.gz AYENEJGIHAMQCF-JTQLQIEISA-N 1 0 283.288 -0.714 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000035307422 330245555 /nfs/dbraw/zinc/24/55/55/330245555.db2.gz MVNMGZVIVBJJAY-UHFFFAOYSA-N 1 0 295.343 -0.042 20 5 CBBDRO C[C@@H]1CN(C[C@@H](O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000339303360 335143242 /nfs/dbraw/zinc/14/32/42/335143242.db2.gz MBYDSYOLJDXSKZ-KXUCPTDWSA-N 1 0 285.304 -0.344 20 5 CBBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000576149121 335160748 /nfs/dbraw/zinc/16/07/48/335160748.db2.gz JRWDFSMUSMHHAJ-CBAPKCEASA-N 1 0 253.262 -0.261 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000566452431 334649733 /nfs/dbraw/zinc/64/97/33/334649733.db2.gz HJMMCFUOPQQXLJ-IUCAKERBSA-N 1 0 283.288 -0.925 20 5 CBBDRO Cc1nn(C)c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000577887148 335417354 /nfs/dbraw/zinc/41/73/54/335417354.db2.gz GKIIIQGYLOHIGA-RKDXNWHRSA-N 1 0 294.315 -0.615 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC2CC(O)C2)c1 ZINC000578132343 335512186 /nfs/dbraw/zinc/51/21/86/335512186.db2.gz YRSQYZLTOFVMBN-NHNAUAITSA-N 1 0 284.316 -0.097 20 5 CBBDRO C[NH+](C)CCCNC(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000179751294 335514456 /nfs/dbraw/zinc/51/44/56/335514456.db2.gz JUPIAYNTHSYAIF-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCCO1 ZINC000578866757 335682323 /nfs/dbraw/zinc/68/23/23/335682323.db2.gz VOAYTIKPDFRSNK-VIFPVBQESA-N 1 0 296.283 -0.115 20 5 CBBDRO [NH3+]CC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(F)F ZINC000581885037 336159756 /nfs/dbraw/zinc/15/97/56/336159756.db2.gz BQXLPUCCIXZUKV-LURJTMIESA-N 1 0 277.231 -0.110 20 5 CBBDRO CC(C)(C(=O)NCC1C[NH2+]C1)n1cc([N+](=O)[O-])cn1 ZINC000261987138 534326257 /nfs/dbraw/zinc/32/62/57/534326257.db2.gz XOQHWDFTFBUXTM-UHFFFAOYSA-N 1 0 267.289 -0.138 20 5 CBBDRO C[C@](O)(CO)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758069 582125128 /nfs/dbraw/zinc/12/51/28/582125128.db2.gz JPBODPDVMUNRBI-VXGBXAGGSA-N 1 0 270.285 -0.039 20 5 CBBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000733167008 582161863 /nfs/dbraw/zinc/16/18/63/582161863.db2.gz LVOKPXIKLMFBMT-SECBINFHSA-N 1 0 284.320 -0.111 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)C2CC2)c1 ZINC000763068660 582319393 /nfs/dbraw/zinc/31/93/93/582319393.db2.gz MMQDUQBVIMXKKD-GHMZBOCLSA-N 1 0 270.289 -0.487 20 5 CBBDRO NC(=O)[C@@]1(O)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569946 582405983 /nfs/dbraw/zinc/40/59/83/582405983.db2.gz ZDNDDZMSWTZWSK-WCQYABFASA-N 1 0 295.295 -0.450 20 5 CBBDRO NC(=O)[C@@]1(O)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569945 582406019 /nfs/dbraw/zinc/40/60/19/582406019.db2.gz ZDNDDZMSWTZWSK-DGCLKSJQSA-N 1 0 295.295 -0.450 20 5 CBBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000818011690 582498127 /nfs/dbraw/zinc/49/81/27/582498127.db2.gz LXBWOCPYKAKGFQ-SECBINFHSA-N 1 0 280.284 -0.105 20 5 CBBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000823728324 582678803 /nfs/dbraw/zinc/67/88/03/582678803.db2.gz WXASHOWPFZSXJZ-HBNTYKKESA-N 1 0 271.317 -0.385 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000839702494 583157998 /nfs/dbraw/zinc/15/79/98/583157998.db2.gz XICYSMDIZUPVRF-IJLUTSLNSA-N 1 0 283.328 -0.168 20 5 CBBDRO C[N@@H+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1(C)C ZINC000839757262 583159551 /nfs/dbraw/zinc/15/95/51/583159551.db2.gz HWBKAKBELURTON-GHMZBOCLSA-N 1 0 284.360 -0.206 20 5 CBBDRO C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843062549 583199047 /nfs/dbraw/zinc/19/90/47/583199047.db2.gz PSICPGRAZMAHIK-FXAINCCUSA-N 1 0 270.285 -0.041 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856256653 583657394 /nfs/dbraw/zinc/65/73/94/583657394.db2.gz MYNIMHTXWXSMRA-IJLUTSLNSA-N 1 0 283.328 -0.291 20 5 CBBDRO O=C1OC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]12 ZINC000860166296 583740425 /nfs/dbraw/zinc/74/04/25/583740425.db2.gz XNZOGSKJFYHVTQ-MWLCHTKSSA-N 1 0 293.279 -0.139 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861720314 583781402 /nfs/dbraw/zinc/78/14/02/583781402.db2.gz XVDNSIFNMFJXHP-GWOFURMSSA-N 1 0 269.301 -0.681 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889750693 584535520 /nfs/dbraw/zinc/53/55/20/584535520.db2.gz QFKCHYBJFAZLGE-WISYIIOYSA-N 1 0 283.328 -0.291 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[N@H+](CCO)CC1 ZINC000892338267 584615359 /nfs/dbraw/zinc/61/53/59/584615359.db2.gz UDOKXIRAKSWCFH-UHFFFAOYSA-N 1 0 269.305 -0.167 20 5 CBBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896536501 584701577 /nfs/dbraw/zinc/70/15/77/584701577.db2.gz VGPCPSHTCSGTNA-ZDCRXTMVSA-N 1 0 270.333 -0.598 20 5 CBBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896536100 584701606 /nfs/dbraw/zinc/70/16/06/584701606.db2.gz VGPCPSHTCSGTNA-LNFKQOIKSA-N 1 0 270.333 -0.598 20 5 CBBDRO COC[C@H]1C[NH2+]CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000903882158 584903853 /nfs/dbraw/zinc/90/38/53/584903853.db2.gz XIJHGYWEVXZHJU-LLVKDONJSA-N 1 0 269.305 -0.289 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000923380114 658247719 /nfs/dbraw/zinc/24/77/19/658247719.db2.gz MNIHFTXBEOJMFV-QWHCGFSZSA-N 1 0 295.343 -0.020 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000173326528 656085059 /nfs/dbraw/zinc/08/50/59/656085059.db2.gz DICZFAGHXNQXRO-NSHDSACASA-N 1 0 298.299 -0.399 20 5 CBBDRO COCC[NH2+]CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000262176208 656129143 /nfs/dbraw/zinc/12/91/43/656129143.db2.gz VVWAYGZHUDKJDG-UHFFFAOYSA-N 1 0 271.277 -0.408 20 5 CBBDRO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000719597397 656235721 /nfs/dbraw/zinc/23/57/21/656235721.db2.gz HBTKEEXTSBRMNN-JLLWLGSASA-N 1 0 283.332 -0.166 20 5 CBBDRO CN(C)S(=O)(=O)C1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905477362 656359818 /nfs/dbraw/zinc/35/98/18/656359818.db2.gz FOFQSNTWYSWNKY-UHFFFAOYSA-N 1 0 251.308 -0.723 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[NH2+]CC1 ZINC000911656943 657098074 /nfs/dbraw/zinc/09/80/74/657098074.db2.gz XFYQMIMBZDQIFD-UHFFFAOYSA-N 1 0 267.289 -0.078 20 5 CBBDRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020533195 658068148 /nfs/dbraw/zinc/06/81/48/658068148.db2.gz KRFZUCNENFRJQP-ZKCHVHJHSA-N 1 0 298.324 -0.122 20 5 CBBDRO C[NH2+][C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923278147 658189082 /nfs/dbraw/zinc/18/90/82/658189082.db2.gz PKYNDQYWSOAFOR-GXSJLCMTSA-N 1 0 269.305 -0.554 20 5 CBBDRO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)[NH2+]1 ZINC000923285897 658194391 /nfs/dbraw/zinc/19/43/91/658194391.db2.gz HNSUHFXORFMARU-CKYFFXLPSA-N 1 0 283.332 -0.166 20 5 CBBDRO C[NH2+]C[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923295025 658194815 /nfs/dbraw/zinc/19/48/15/658194815.db2.gz QNDKWIONQJAMNW-PWSUYJOCSA-N 1 0 283.332 -0.164 20 5 CBBDRO C[NH2+][C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923284982 658195578 /nfs/dbraw/zinc/19/55/78/658195578.db2.gz YNKQMICAKXOZRF-CMPLNLGQSA-N 1 0 283.332 -0.164 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000923329935 658215660 /nfs/dbraw/zinc/21/56/60/658215660.db2.gz SHLRUWMCTSVWNS-AAEUAGOBSA-N 1 0 295.343 -0.022 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000923329937 658216532 /nfs/dbraw/zinc/21/65/32/658216532.db2.gz SHLRUWMCTSVWNS-WCQYABFASA-N 1 0 295.343 -0.022 20 5 CBBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@H]([NH2+]CCO)C2)n1 ZINC000923405850 658259143 /nfs/dbraw/zinc/25/91/43/658259143.db2.gz ANMBFYFBSZZVFO-NSHDSACASA-N 1 0 283.332 -0.162 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923410086 658263561 /nfs/dbraw/zinc/26/35/61/658263561.db2.gz FDGWHEFTOKSZPA-UMNHJUIQSA-N 1 0 281.316 -0.412 20 5 CBBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000928569605 659049755 /nfs/dbraw/zinc/04/97/55/659049755.db2.gz NJZNIEQRNOCUDE-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[N@@H+]1CCC[C@@H](N2CCN(CC[N+](=O)[O-])CC2)C1 ZINC000929982364 659191597 /nfs/dbraw/zinc/19/15/97/659191597.db2.gz SSJMNWUQGNCSCK-GFCCVEGCSA-N 1 0 256.350 -0.025 20 5 CBBDRO O=[N+]([O-])CCN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000930165778 659231185 /nfs/dbraw/zinc/23/11/85/659231185.db2.gz AKJMEKRQCHLJGP-UHFFFAOYSA-N 1 0 273.333 -0.578 20 5 CBBDRO COC(=O)CC[N@@H+]1CCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930237752 659236293 /nfs/dbraw/zinc/23/62/93/659236293.db2.gz WHLRJRZOQOOTLE-JTQLQIEISA-N 1 0 259.306 -0.168 20 5 CBBDRO C[N@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985424884 659385071 /nfs/dbraw/zinc/38/50/71/659385071.db2.gz BYFRKCAQWMUOST-NXEZZACHSA-N 1 0 284.316 -0.940 20 5 CBBDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000931279877 659424157 /nfs/dbraw/zinc/42/41/57/659424157.db2.gz RLGCEEPHFMHJEP-NDBYEHHHSA-N 1 0 295.343 -0.356 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCN3CC[NH2+]C[C@@H]3C2)c1 ZINC001164393947 718828978 /nfs/dbraw/zinc/82/89/78/718828978.db2.gz XXRPNBHCFFVJCU-LLVKDONJSA-N 1 0 279.300 -0.678 20 5 CBBDRO COc1ncnc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164668476 719394122 /nfs/dbraw/zinc/39/41/22/719394122.db2.gz RTOJSIBSYSFHIA-RKDXNWHRSA-N 1 0 295.299 -0.087 20 5 CBBDRO NC(=O)[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228681511 790436473 /nfs/dbraw/zinc/43/64/73/790436473.db2.gz IUXRARSVPVCQJO-NXEZZACHSA-N 1 0 269.257 -0.936 20 5 CBBDRO CNC(=O)C[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000322770512 790486170 /nfs/dbraw/zinc/48/61/70/790486170.db2.gz IEDBZPUPXZPFFM-SCZZXKLOSA-N 1 0 285.304 -0.734 20 5 CBBDRO [NH3+]C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000702046018 790719795 /nfs/dbraw/zinc/71/97/95/790719795.db2.gz DYFHPQSIIAVIQG-UHFFFAOYSA-N 1 0 253.262 -0.259 20 5 CBBDRO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063732 790987089 /nfs/dbraw/zinc/98/70/89/790987089.db2.gz JTZFROUGVMXKCD-UTINFBMNSA-N 1 0 294.315 -0.783 20 5 CBBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCO)CC1 ZINC001045437687 801697611 /nfs/dbraw/zinc/69/76/11/801697611.db2.gz YPICSWWZZFFRIO-NXEZZACHSA-N 1 0 271.317 -0.385 20 5 CBBDRO [NH3+]CCCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117980756 812461802 /nfs/dbraw/zinc/46/18/02/812461802.db2.gz MSHBTSIPZWUNFZ-UHFFFAOYSA-N 1 0 292.295 -0.098 20 5 CBBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1CO ZINC001122125183 813121526 /nfs/dbraw/zinc/12/15/26/813121526.db2.gz YRQBMBUFIQIWFP-GFCCVEGCSA-N 1 0 279.296 -0.070 20 5 CBBDRO NC(=O)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001323484499 804032060 /nfs/dbraw/zinc/03/20/60/804032060.db2.gz WVVKSTYULYNABC-VIFPVBQESA-N 1 0 267.289 -0.011 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001325826527 804319653 /nfs/dbraw/zinc/31/96/53/804319653.db2.gz UAHCGSXWQQVXDO-NXEZZACHSA-N 1 0 294.311 -0.048 20 5 CBBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001154748016 815237979 /nfs/dbraw/zinc/23/79/79/815237979.db2.gz PTBZRJSJUWOXQD-JTQLQIEISA-N 1 0 281.316 -0.066 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1cccc([N+](=O)[O-])n1 ZINC001154766404 815238585 /nfs/dbraw/zinc/23/85/85/815238585.db2.gz XCQJYZWWFGDCGY-UHFFFAOYSA-N 1 0 260.275 -0.286 20 5 CBBDRO COc1nc(N[C@@H]2COC[C@@H]2[NH3+])ncc1[N+](=O)[O-] ZINC001155346107 815278297 /nfs/dbraw/zinc/27/82/97/815278297.db2.gz HNHNCRVAWJFOSI-NTSWFWBYSA-N 1 0 255.234 -0.469 20 5 CBBDRO COC(=O)c1ccnc(N[C@@H]2COC[C@@H]2[NH3+])c1[N+](=O)[O-] ZINC001155353806 815279181 /nfs/dbraw/zinc/27/91/81/815279181.db2.gz UHUYHMUSMFJQLB-JGVFFNPUSA-N 1 0 282.256 -0.086 20 5 CBBDRO COc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155570995 815294181 /nfs/dbraw/zinc/29/41/81/815294181.db2.gz QCAVKZSKCYBHBG-PELKAZGASA-N 1 0 293.283 -0.012 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])cc[n+]2[O-])N1 ZINC001155570153 815294393 /nfs/dbraw/zinc/29/43/93/815294393.db2.gz KXMBCEJCPQAFJG-LDYMZIIASA-N 1 0 279.256 -0.782 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cccc([N+](=O)[O-])n2)N1 ZINC001155571531 815295373 /nfs/dbraw/zinc/29/53/73/815295373.db2.gz SRFFHYNOJVKQJB-HQJQHLMTSA-N 1 0 263.257 -0.020 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])ccn2)N1 ZINC001155572522 815295964 /nfs/dbraw/zinc/29/59/64/815295964.db2.gz YFOFVHXJLWJSPZ-GZMMTYOYSA-N 1 0 263.257 -0.020 20 5 CBBDRO COc1ncnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1[N+](=O)[O-] ZINC001155637664 815302793 /nfs/dbraw/zinc/30/27/93/815302793.db2.gz YVAAUTQVJMZVSM-FJXKBIBVSA-N 1 0 281.272 -0.065 20 5 CBBDRO C[C@@H](CCO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156450999 815360440 /nfs/dbraw/zinc/36/04/40/815360440.db2.gz YUWQAYVCJUNSTR-VIFPVBQESA-N 1 0 296.331 -0.023 20 5 CBBDRO O=C1CC(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001156610818 815368845 /nfs/dbraw/zinc/36/88/45/815368845.db2.gz BTRCAGZSFSSYMD-UHFFFAOYSA-N 1 0 292.299 -0.062 20 5 CBBDRO [NH3+]CCc1nnn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])n1 ZINC001156988833 815395530 /nfs/dbraw/zinc/39/55/30/815395530.db2.gz NUZMQHKPOUWJEE-UHFFFAOYSA-N 1 0 285.651 -0.642 20 5 CBBDRO [NH3+]CCc1nnn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)n1 ZINC001156988640 815395907 /nfs/dbraw/zinc/39/59/07/815395907.db2.gz DOMGGPPHKYMQKZ-UHFFFAOYSA-N 1 0 274.244 -0.052 20 5 CBBDRO CCOCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775623 815465973 /nfs/dbraw/zinc/46/59/73/815465973.db2.gz SHPWPAIJPPYKCD-NXEZZACHSA-N 1 0 259.306 -0.216 20 5 CBBDRO Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157767494 815462495 /nfs/dbraw/zinc/46/24/95/815462495.db2.gz OPVYJKOVEDVKGE-NXEZZACHSA-N 1 0 282.304 -0.924 20 5 CBBDRO Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760704 815463135 /nfs/dbraw/zinc/46/31/35/815463135.db2.gz HQIXLQXNJGHCMM-RKDXNWHRSA-N 1 0 282.304 -0.924 20 5 CBBDRO CN(C)/C=C/c1cc(-n2nnnc2C[NH3+])ncc1[N+](=O)[O-] ZINC001158076450 815501507 /nfs/dbraw/zinc/50/15/07/815501507.db2.gz ARRQTGMUIHCESJ-ONEGZZNKSA-N 1 0 290.287 -0.044 20 5 CBBDRO [NH3+]Cc1nnnn1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001158074838 815501532 /nfs/dbraw/zinc/50/15/32/815501532.db2.gz LXCRBPYBZCCPMX-UHFFFAOYSA-N 1 0 271.624 -0.684 20 5 CBBDRO Cc1nc(CC[NH3+])nn1-c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001158131513 815506161 /nfs/dbraw/zinc/50/61/61/815506161.db2.gz VONSMKJEIRYPPG-UHFFFAOYSA-N 1 0 278.272 -0.073 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cncc1C[C@@H]([NH3+])CO ZINC001158206695 815513846 /nfs/dbraw/zinc/51/38/46/815513846.db2.gz XUCBRLPLOGIIJQ-SECBINFHSA-N 1 0 293.283 -0.416 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001117737930 812441469 /nfs/dbraw/zinc/44/14/69/812441469.db2.gz XUVQGWJHZHOZTB-IUCAKERBSA-N 1 0 295.299 -0.401 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001118227527 812500488 /nfs/dbraw/zinc/50/04/88/812500488.db2.gz NNSUTSOAGKYDME-SECBINFHSA-N 1 0 297.315 -0.173 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001118227530 812500735 /nfs/dbraw/zinc/50/07/35/812500735.db2.gz NNSUTSOAGKYDME-VIFPVBQESA-N 1 0 297.315 -0.173 20 5 CBBDRO C[NH2+][C@@H](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001118260758 812509695 /nfs/dbraw/zinc/50/96/95/812509695.db2.gz HXQKIWGPYLEXOE-VIFPVBQESA-N 1 0 282.300 -0.129 20 5 CBBDRO CC[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC001118270178 812514525 /nfs/dbraw/zinc/51/45/25/812514525.db2.gz XCUCLIKIDWDLFC-IUCAKERBSA-N 1 0 282.304 -0.228 20 5 CBBDRO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC001118714704 812608865 /nfs/dbraw/zinc/60/88/65/812608865.db2.gz RWZRLTMKUZWRLT-VIFPVBQESA-N 1 0 282.300 -0.177 20 5 CBBDRO COc1nc(N2C[C@@H]([NH3+])C3(COC3)C2)ncc1[N+](=O)[O-] ZINC001158763117 815545507 /nfs/dbraw/zinc/54/55/07/815545507.db2.gz GJFTXFOXURZILQ-MRVPVSSYSA-N 1 0 281.272 -0.443 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]([NH3+])C3(COC3)C2)n1 ZINC001158761781 815545649 /nfs/dbraw/zinc/54/56/49/815545649.db2.gz GABLMRZOJQUNBV-MRVPVSSYSA-N 1 0 295.299 -0.134 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001158766280 815546189 /nfs/dbraw/zinc/54/61/89/815546189.db2.gz XBOLNQVIDHWJEU-SECBINFHSA-N 1 0 265.273 -0.264 20 5 CBBDRO CNC(=O)[C@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001158990782 815554239 /nfs/dbraw/zinc/55/42/39/815554239.db2.gz NCCQMSNRCIIFCE-LURJTMIESA-N 1 0 280.288 -0.382 20 5 CBBDRO C[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC001119568321 812811720 /nfs/dbraw/zinc/81/17/20/812811720.db2.gz DNIRQHMQTHSEIO-UHFFFAOYSA-N 1 0 293.327 -0.005 20 5 CBBDRO O=C(CCO)CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001159094451 815559534 /nfs/dbraw/zinc/55/95/34/815559534.db2.gz YXQUSRXNNSEPDC-UHFFFAOYSA-N 1 0 281.272 -0.565 20 5 CBBDRO COCc1nc2n(n1)C[C@H]([NH2+]CC[N+](=O)[O-])CC2 ZINC001120274040 812945996 /nfs/dbraw/zinc/94/59/96/812945996.db2.gz XLSLFJQRXCOFRV-MRVPVSSYSA-N 1 0 255.278 -0.394 20 5 CBBDRO NC(=O)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125079572 813514659 /nfs/dbraw/zinc/51/46/59/813514659.db2.gz ADWVIXPZGFCLOD-UHFFFAOYSA-N 1 0 280.284 -0.324 20 5 CBBDRO NC(=O)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125080029 813516209 /nfs/dbraw/zinc/51/62/09/813516209.db2.gz LVYHZTZVGWDFHC-UHFFFAOYSA-N 1 0 280.284 -0.324 20 5 CBBDRO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936891 813696456 /nfs/dbraw/zinc/69/64/56/813696456.db2.gz WLYWKYBIYIOLFE-GHMZBOCLSA-N 1 0 296.331 -0.734 20 5 CBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCC1 ZINC001126943467 813696475 /nfs/dbraw/zinc/69/64/75/813696475.db2.gz PBUYSGITNIPTPR-GHMZBOCLSA-N 1 0 298.343 -0.630 20 5 CBBDRO Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001126936281 813697264 /nfs/dbraw/zinc/69/72/64/813697264.db2.gz DVCHJZMDYRSNNQ-GHMZBOCLSA-N 1 0 281.316 -0.666 20 5 CBBDRO Cc1nnsc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936264 813697539 /nfs/dbraw/zinc/69/75/39/813697539.db2.gz DGCNKOJGTSGTJT-HTQZYQBOSA-N 1 0 285.329 -0.282 20 5 CBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCCC1 ZINC001126936981 813697577 /nfs/dbraw/zinc/69/75/77/813697577.db2.gz ZSAAOLVZTPWGHA-GHMZBOCLSA-N 1 0 298.343 -0.584 20 5 CBBDRO NC(=O)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133206523 814231720 /nfs/dbraw/zinc/23/17/20/814231720.db2.gz USLKHJZEQSAQLK-UHFFFAOYSA-N 1 0 266.257 -0.714 20 5 CBBDRO COC(=O)c1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001159672992 815584264 /nfs/dbraw/zinc/58/42/64/815584264.db2.gz UGEGKJIPGBDMKS-DTWKUNHWSA-N 1 0 296.283 -0.231 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001159672768 815584845 /nfs/dbraw/zinc/58/48/45/815584845.db2.gz SKRIBSBCUXZYIN-CBAPKCEASA-N 1 0 254.246 -0.780 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001159672770 815584993 /nfs/dbraw/zinc/58/49/93/815584993.db2.gz SKRIBSBCUXZYIN-VXNVDRBHSA-N 1 0 254.246 -0.780 20 5 CBBDRO COc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)ccc1[N+](=O)[O-] ZINC001159673812 815585560 /nfs/dbraw/zinc/58/55/60/815585560.db2.gz ZLKUIEQFYKWDQL-JGVFFNPUSA-N 1 0 268.273 -0.009 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159677350 815586938 /nfs/dbraw/zinc/58/69/38/815586938.db2.gz KLLWLWVZRWXDNC-BDAKNGLRSA-N 1 0 268.273 -0.471 20 5 CBBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC001159676647 815586973 /nfs/dbraw/zinc/58/69/73/815586973.db2.gz IGGINHCJFCVLCN-POYBYMJQSA-N 1 0 288.691 -0.126 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159677353 815587184 /nfs/dbraw/zinc/58/71/84/815587184.db2.gz KLLWLWVZRWXDNC-RKDXNWHRSA-N 1 0 268.273 -0.471 20 5 CBBDRO Cc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159681420 815588057 /nfs/dbraw/zinc/58/80/57/815588057.db2.gz DAMCCDVQVRKULP-SFYZADRCSA-N 1 0 253.262 -0.315 20 5 CBBDRO [NH3+]CCN(CCNc1cc([N+](=O)[O-])ccn1)N(O)N=O ZINC001161087761 815713109 /nfs/dbraw/zinc/71/31/09/815713109.db2.gz RJXAJFWGHMGCRJ-UHFFFAOYSA-N 1 0 285.264 -0.050 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162124497 815803557 /nfs/dbraw/zinc/80/35/57/815803557.db2.gz MNXVZHNUTQIDMC-UHFFFAOYSA-N 1 0 294.264 -0.908 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1ncccc1[N+](=O)[O-] ZINC001162127558 815804681 /nfs/dbraw/zinc/80/46/81/815804681.db2.gz XEBOWJGUDNPCGX-UHFFFAOYSA-N 1 0 260.275 -0.286 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1cnc(C[NH3+])c1 ZINC001162296572 815812014 /nfs/dbraw/zinc/81/20/14/815812014.db2.gz HPWMJHDBYBILOG-UHFFFAOYSA-N 1 0 262.229 -0.267 20 5 CBBDRO O=C1OCCC1=Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001162708845 815840731 /nfs/dbraw/zinc/84/07/31/815840731.db2.gz XZKCXYHLDTZBEQ-UHFFFAOYSA-N 1 0 277.240 -0.076 20 5 CBBDRO O=[N+]([O-])c1cnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cn1 ZINC001163202869 815864934 /nfs/dbraw/zinc/86/49/34/815864934.db2.gz PDPABGPIGBXKBX-GMSGAONNSA-N 1 0 251.246 -0.072 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163235547 815868108 /nfs/dbraw/zinc/86/81/08/815868108.db2.gz CBCCJCGSLRCFPX-JOYOIKCWSA-N 1 0 293.283 -0.012 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cccnc2[N+](=O)[O-])N1 ZINC001163250658 815872731 /nfs/dbraw/zinc/87/27/31/815872731.db2.gz OYIMLXHBGZAYNZ-KWQFWETISA-N 1 0 263.257 -0.020 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cnc([N+](=O)[O-])cn2)N1 ZINC001163255479 815877018 /nfs/dbraw/zinc/87/70/18/815877018.db2.gz YTSPSBKTKAYXFC-LDWIPMOCSA-N 1 0 264.245 -0.625 20 5 CBBDRO COc1nc(-n2c(C)nnc2C[NH3+])ncc1[N+](=O)[O-] ZINC001163346628 815879497 /nfs/dbraw/zinc/87/94/97/815879497.db2.gz QWAMNNGKNAWJGM-UHFFFAOYSA-N 1 0 265.233 -0.259 20 5 CBBDRO CN1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1=O ZINC001163637905 815893181 /nfs/dbraw/zinc/89/31/81/815893181.db2.gz SQQBYOGEDOLNGA-UHFFFAOYSA-N 1 0 292.299 -0.650 20 5 CBBDRO C[NH+]1CCC(N(CCO)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001300045998 816736830 /nfs/dbraw/zinc/73/68/30/816736830.db2.gz AVLREYCVBKKHGB-UHFFFAOYSA-N 1 0 297.315 -0.153 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001307217560 816799344 /nfs/dbraw/zinc/79/93/44/816799344.db2.gz NKGOGTOGWOLEPJ-MRVPVSSYSA-N 1 0 267.289 -0.105 20 5 CBBDRO CC[C@H](CO)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001307803226 816809003 /nfs/dbraw/zinc/80/90/03/816809003.db2.gz APHRNRDWLUDIIM-MWLCHTKSSA-N 1 0 272.305 -0.145 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001317997162 817061062 /nfs/dbraw/zinc/06/10/62/817061062.db2.gz SSIZHSYTGCGMIM-ZJUUUORDSA-N 1 0 294.315 -0.071 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001317997159 817061476 /nfs/dbraw/zinc/06/14/76/817061476.db2.gz SSIZHSYTGCGMIM-NXEZZACHSA-N 1 0 294.315 -0.071 20 5 CBBDRO NC(=O)COC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001318993664 817156613 /nfs/dbraw/zinc/15/66/13/817156613.db2.gz NBJYYPQIGYNAJI-UHFFFAOYSA-N 1 0 297.315 -0.242 20 5 CBBDRO O=C(NCCC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001319018576 817159358 /nfs/dbraw/zinc/15/93/58/817159358.db2.gz ADYGTBQOLCOKGV-VXGBXAGGSA-N 1 0 285.344 -0.138 20 5 CBBDRO C[NH+](C)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319849968 817248985 /nfs/dbraw/zinc/24/89/85/817248985.db2.gz UROSEDYGQTVJOH-UHFFFAOYSA-N 1 0 282.300 -0.176 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@@H+]1CCCOCC1 ZINC001320698063 817378477 /nfs/dbraw/zinc/37/84/77/817378477.db2.gz FEKIUAKGYVFYBZ-UHFFFAOYSA-N 1 0 298.303 -0.975 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCOCC[NH+](C)C ZINC001320968011 817418134 /nfs/dbraw/zinc/41/81/34/817418134.db2.gz WRHBKPWEUABRKB-UHFFFAOYSA-N 1 0 285.304 -0.364 20 5 CBBDRO Cn1cc(N(CC[NH3+])CCO)cc([N+](=O)[O-])c1=O ZINC001163832332 819855494 /nfs/dbraw/zinc/85/54/94/819855494.db2.gz MYHBBLQZFPVEQU-UHFFFAOYSA-N 1 0 256.262 -0.949 20 5 CBBDRO [NH3+]CCN(CCO)c1cc([N+](=O)[O-])c2nncn2c1 ZINC001163835999 819857188 /nfs/dbraw/zinc/85/71/88/819857188.db2.gz LJLYBPVKSNCGOT-UHFFFAOYSA-N 1 0 266.261 -0.605 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N(CC[NH3+])CCO ZINC001163835727 819858685 /nfs/dbraw/zinc/85/86/85/819858685.db2.gz CPAPQVONZDAPHD-UHFFFAOYSA-N 1 0 284.272 -0.466 20 5 CBBDRO COc1cc(N(CC[NH3+])CCO)cnc1[N+](=O)[O-] ZINC001163837253 819859501 /nfs/dbraw/zinc/85/95/01/819859501.db2.gz WZQGDCBLMLGGOR-UHFFFAOYSA-N 1 0 256.262 -0.244 20 5 CBBDRO [NH3+]CCN(CCO)c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001163840678 819860198 /nfs/dbraw/zinc/86/01/98/819860198.db2.gz ZOBIUTQWMDRPAY-UHFFFAOYSA-N 1 0 280.284 -0.404 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(NCC[N@H+](C)CCOCCO)n1 ZINC001163984298 819876934 /nfs/dbraw/zinc/87/69/34/819876934.db2.gz SKHSTOBPAFCIBW-UHFFFAOYSA-N 1 0 287.320 -0.319 20 5 CBBDRO COc1ccnc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-] ZINC001164287923 819898850 /nfs/dbraw/zinc/89/88/50/819898850.db2.gz YPHMQVMSJSXQTI-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO CN(c1ccc([N+](=O)[O-])cn1)S(=O)(=O)CC[NH3+] ZINC001164289536 819902285 /nfs/dbraw/zinc/90/22/85/819902285.db2.gz YUDNXSDBGUOHND-UHFFFAOYSA-N 1 0 260.275 -0.286 20 5 CBBDRO CN(c1cccnc1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164296650 819903100 /nfs/dbraw/zinc/90/31/00/819903100.db2.gz JIARVEHDEMWXIR-UHFFFAOYSA-N 1 0 260.275 -0.286 20 5 CBBDRO COc1ncnc(N2CCOCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001165286695 819949814 /nfs/dbraw/zinc/94/98/14/819949814.db2.gz RMPDBWOJUNCTDI-UHFFFAOYSA-N 1 0 281.272 -0.428 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1cc(OC)c([N+](=O)[O-])cn1 ZINC001165439016 819963091 /nfs/dbraw/zinc/96/30/91/819963091.db2.gz NWXDGERQROYBGG-SECBINFHSA-N 1 0 296.283 -0.050 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001165439615 819963993 /nfs/dbraw/zinc/96/39/93/819963993.db2.gz SBURSHCYSLEGMT-JTQLQIEISA-N 1 0 296.283 -0.512 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1cc([N+](=O)[O-])ccn1 ZINC001165438220 819964281 /nfs/dbraw/zinc/96/42/81/819964281.db2.gz YIRADHXHOYLVIW-VIFPVBQESA-N 1 0 266.257 -0.059 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ncnc(OC)c1[N+](=O)[O-] ZINC001165438639 819964321 /nfs/dbraw/zinc/96/43/21/819964321.db2.gz JCDXZQSFXRQUAE-ZETCQYMHSA-N 1 0 297.271 -0.655 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1N ZINC001165443384 819965028 /nfs/dbraw/zinc/96/50/28/819965028.db2.gz VIUZABNCFKBJMS-VIFPVBQESA-N 1 0 281.272 -0.477 20 5 CBBDRO NC(=O)c1nc(-n2ccnc2CC[NH3+])ccc1[N+](=O)[O-] ZINC001166277467 819997088 /nfs/dbraw/zinc/99/70/88/819997088.db2.gz TUVGXISIDLURQC-UHFFFAOYSA-N 1 0 276.256 -0.224 20 5 CBBDRO CN(C)C(=O)CN(C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166661651 820012113 /nfs/dbraw/zinc/01/21/13/820012113.db2.gz KTBACBNUCVZWDR-UHFFFAOYSA-N 1 0 294.315 -0.404 20 5 CBBDRO COC(=O)c1cnc(N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001166938074 820048942 /nfs/dbraw/zinc/04/89/42/820048942.db2.gz LPMHAIQVYNRCEG-VIFPVBQESA-N 1 0 296.283 -0.060 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@H](C[NH3+])C2)n1 ZINC001166939561 820050605 /nfs/dbraw/zinc/05/06/05/820050605.db2.gz CKPCITKZWCOIHH-QMMMGPOBSA-N 1 0 296.283 -0.060 20 5 CBBDRO COc1cnc(N2C[C@@H](O)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001167089007 820069171 /nfs/dbraw/zinc/06/91/71/820069171.db2.gz MNSGRHPNYNVNMP-IONNQARKSA-N 1 0 254.246 -0.493 20 5 CBBDRO [NH3+][C@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1O ZINC001167090036 820070637 /nfs/dbraw/zinc/07/06/37/820070637.db2.gz YZDUZLZDDCEOPX-POYBYMJQSA-N 1 0 269.217 -0.594 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001167093353 820071020 /nfs/dbraw/zinc/07/10/20/820071020.db2.gz UMAUDYKVUDGQAS-IONNQARKSA-N 1 0 254.246 -0.955 20 5 CBBDRO Cc1ncc(C[NH3+])c(=N)n1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167672670 820110647 /nfs/dbraw/zinc/11/06/47/820110647.db2.gz SBOYZOCZQHXHHH-UHFFFAOYSA-N 1 0 294.246 -0.200 20 5 CBBDRO COc1ccc([N+](=O)[O-])c(-n2nnc(CC[NH3+])n2)n1 ZINC001167788107 820115911 /nfs/dbraw/zinc/11/59/11/820115911.db2.gz OQUZATZHOQWNHY-UHFFFAOYSA-N 1 0 265.233 -0.525 20 5 CBBDRO [NH3+]CCc1nnn(-c2ncnc(Cl)c2[N+](=O)[O-])n1 ZINC001167787654 820116481 /nfs/dbraw/zinc/11/64/81/820116481.db2.gz GCJXDWXUQCAMQH-UHFFFAOYSA-N 1 0 270.640 -0.485 20 5 CBBDRO [NH3+]CCc1nnn(-c2cccc3ncc([N+](=O)[O-])n32)n1 ZINC001167792634 820121829 /nfs/dbraw/zinc/12/18/29/820121829.db2.gz JRZPQDJKFMNGDC-UHFFFAOYSA-N 1 0 274.244 -0.281 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(C[NH3+])cn1 ZINC001168253889 820152794 /nfs/dbraw/zinc/15/27/94/820152794.db2.gz FCSYSENQFLQAKE-UHFFFAOYSA-N 1 0 262.229 -0.267 20 5 CBBDRO COC(=O)c1cc(C)nc(-n2nnnc2C[NH3+])c1[N+](=O)[O-] ZINC001168920349 820191465 /nfs/dbraw/zinc/19/14/65/820191465.db2.gz DONXNWJOTDFVTM-UHFFFAOYSA-N 1 0 293.243 -0.481 20 5 CBBDRO [NH3+]Cc1nnnn1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001168919058 820191490 /nfs/dbraw/zinc/19/14/90/820191490.db2.gz UDPMNPLUKLIOAE-UHFFFAOYSA-N 1 0 271.624 -0.684 20 5 CBBDRO CCOc1cnc(-n2nnnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001168919340 820191662 /nfs/dbraw/zinc/19/16/62/820191662.db2.gz ZYIBZTYWLBFAGF-UHFFFAOYSA-N 1 0 265.233 -0.177 20 5 CBBDRO COc1cc(-n2nnnc2C[NH3+])cnc1[N+](=O)[O-] ZINC001168923663 820192560 /nfs/dbraw/zinc/19/25/60/820192560.db2.gz BVFLFSMCYXAMGI-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO [NH3+]Cc1nnnn1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001168924742 820194524 /nfs/dbraw/zinc/19/45/24/820194524.db2.gz RIULQDJZNJROFM-UHFFFAOYSA-N 1 0 261.205 -0.928 20 5 CBBDRO O=C1C[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C(=O)N1 ZINC001168987973 820200604 /nfs/dbraw/zinc/20/06/04/820200604.db2.gz LXYMRVDZMXROHC-YIZRAAEISA-N 1 0 255.274 -0.316 20 5 CBBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)NCC(N)=O ZINC001168998639 820200873 /nfs/dbraw/zinc/20/08/73/820200873.db2.gz PGTVEZYUTAJFLD-CIUDSAMLSA-N 1 0 272.305 -0.989 20 5 CBBDRO O=C1CN(C2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CCN1 ZINC001169038461 820201585 /nfs/dbraw/zinc/20/15/85/820201585.db2.gz YXSICHFXURSKON-MNOVXSKESA-N 1 0 282.344 -0.452 20 5 CBBDRO NC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040202 820202234 /nfs/dbraw/zinc/20/22/34/820202234.db2.gz YRALAMBUAXGTTR-UTLUCORTSA-N 1 0 257.290 -0.382 20 5 CBBDRO NC(=O)[C@H](CO)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169332501 820238269 /nfs/dbraw/zinc/23/82/69/820238269.db2.gz PZBPKZIXBXZCDP-VIFPVBQESA-N 1 0 266.257 -0.544 20 5 CBBDRO Nc1ccnc(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001170046026 820275785 /nfs/dbraw/zinc/27/57/85/820275785.db2.gz VFWFTBYQMWRPSL-ZETCQYMHSA-N 1 0 253.262 -0.028 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@@H]1COCC[NH2+]1 ZINC001170046293 820275464 /nfs/dbraw/zinc/27/54/64/820275464.db2.gz XCTHLBZUGROPKY-MRVPVSSYSA-N 1 0 254.246 -0.372 20 5 CBBDRO NC(=O)c1ccnc(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001170042640 820275937 /nfs/dbraw/zinc/27/59/37/820275937.db2.gz RHUCPIOSFXLZRI-SSDOTTSWSA-N 1 0 281.272 -0.511 20 5 CBBDRO [NH3+]CCOCCOCCNc1nccnc1[N+](=O)[O-] ZINC001170505366 820297707 /nfs/dbraw/zinc/29/77/07/820297707.db2.gz MULYILZVJCYYHT-UHFFFAOYSA-N 1 0 271.277 -0.211 20 5 CBBDRO COc1ccnc(N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170773783 820317888 /nfs/dbraw/zinc/31/78/88/820317888.db2.gz QOYRSUMOHGYZCP-SFYZADRCSA-N 1 0 268.273 -0.009 20 5 CBBDRO NC(=O)c1ccnc(N[C@@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170774873 820318512 /nfs/dbraw/zinc/31/85/12/820318512.db2.gz CIWSBNBTJUSLLY-POYBYMJQSA-N 1 0 281.272 -0.919 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170779497 820322269 /nfs/dbraw/zinc/32/22/69/820322269.db2.gz JTKMUZQBEFMFIW-SFYZADRCSA-N 1 0 254.246 -0.780 20 5 CBBDRO CC[C@@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001170858617 820327744 /nfs/dbraw/zinc/32/77/44/820327744.db2.gz LWJGNUQPINILSQ-JTQLQIEISA-N 1 0 269.261 -0.442 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](N)CCC[NH3+] ZINC001170898154 820334165 /nfs/dbraw/zinc/33/41/65/820334165.db2.gz LQPGNNYUFGWVMA-QMMMGPOBSA-N 1 0 268.277 -0.476 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1nc(OC)ncc1[N+](=O)[O-] ZINC001170993178 820341859 /nfs/dbraw/zinc/34/18/59/820341859.db2.gz ZYYMCNPBUYZBAJ-UHFFFAOYSA-N 1 0 299.287 -0.278 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC001175127314 820423223 /nfs/dbraw/zinc/42/32/23/820423223.db2.gz FSEKSUIXAAEPGU-GFCCVEGCSA-N 1 0 297.315 -0.684 20 5 CBBDRO COC[C@@](C)(CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC001175284483 820423874 /nfs/dbraw/zinc/42/38/74/820423874.db2.gz KWBVIDDLNUVUAR-SNVBAGLBSA-N 1 0 258.278 -0.222 20 5 CBBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC(NC2COC2)C1 ZINC001179458873 820630116 /nfs/dbraw/zinc/63/01/16/820630116.db2.gz USUDMFGPOMPSRG-UHFFFAOYSA-N 1 0 294.267 -0.492 20 5 CBBDRO O=C(NCC1([NH2+]CCO)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480560 828355722 /nfs/dbraw/zinc/35/57/22/828355722.db2.gz SWCLOEQRKHUTPY-RKDXNWHRSA-N 1 0 257.290 -0.728 20 5 CBBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC001195012088 824098366 /nfs/dbraw/zinc/09/83/66/824098366.db2.gz GPABCQXXIZBCKO-RAIGVLPGSA-N 1 0 282.296 -0.087 20 5 CBBDRO NC1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]C1 ZINC001212129906 824501904 /nfs/dbraw/zinc/50/19/04/824501904.db2.gz MJAAGAYDBFAHBW-UHFFFAOYSA-N 1 0 280.219 -0.064 20 5 CBBDRO Cn1cc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cn1 ZINC001222430261 825210287 /nfs/dbraw/zinc/21/02/87/825210287.db2.gz PFJCNQNFSJEVSC-LLVKDONJSA-N 1 0 256.326 -0.080 20 5 CBBDRO Cc1noc(COC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001222396085 825211221 /nfs/dbraw/zinc/21/12/21/825211221.db2.gz CWTZQUKKMJWRCK-SECBINFHSA-N 1 0 258.298 -0.122 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC(=O)NC1CC1 ZINC001222524841 825215000 /nfs/dbraw/zinc/21/50/00/825215000.db2.gz IMSIAIIBDZYOCJ-SNVBAGLBSA-O 1 0 259.326 -0.735 20 5 CBBDRO CCS(=O)(=O)CCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222549662 825216313 /nfs/dbraw/zinc/21/63/13/825216313.db2.gz MVNSGACOHIYREG-SNVBAGLBSA-N 1 0 282.382 -0.579 20 5 CBBDRO Cn1nccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222711176 825221813 /nfs/dbraw/zinc/22/18/13/825221813.db2.gz KMXFZXGVTLZPBK-LLVKDONJSA-N 1 0 256.326 -0.080 20 5 CBBDRO C[N+](C)(C)CCO[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12 ZINC001224772408 825247325 /nfs/dbraw/zinc/24/73/25/825247325.db2.gz ZOVHNYSXEOZGBP-LNFKQOIKSA-N 1 0 277.297 -0.548 20 5 CBBDRO CON(C)C(=O)CCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224945352 825251282 /nfs/dbraw/zinc/25/12/82/825251282.db2.gz WOGNIFDCPSTWDU-SNVBAGLBSA-N 1 0 277.341 -0.603 20 5 CBBDRO CC(=O)N1CC[C@@H](COC(=O)C[C@@H](O)C[N+](C)(C)C)C1 ZINC001225008514 825252359 /nfs/dbraw/zinc/25/23/59/825252359.db2.gz RUPLNLWXXZUSEJ-CHWSQXEVSA-N 1 0 287.380 -0.145 20 5 CBBDRO CC(=O)c1cnc(=O)[nH]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226240801 825273349 /nfs/dbraw/zinc/27/33/49/825273349.db2.gz VIPXNXHJOVJMNM-SECBINFHSA-O 1 0 298.319 -0.253 20 5 CBBDRO C[C@H](C[NH3+])N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001261492095 826524707 /nfs/dbraw/zinc/52/47/07/826524707.db2.gz QVGXHEBRXARPHP-MRVPVSSYSA-N 1 0 268.273 -0.438 20 5 CBBDRO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001265476849 826898726 /nfs/dbraw/zinc/89/87/26/826898726.db2.gz SDUYDDVNOFHVKD-GWOFURMSSA-N 1 0 298.343 -0.587 20 5 CBBDRO CC(=O)N(CCO)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001272090510 827755870 /nfs/dbraw/zinc/75/58/70/827755870.db2.gz CCFUQIKQJKCQMR-UHFFFAOYSA-N 1 0 285.304 -0.741 20 5 CBBDRO C[C@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)C[NH+]2CCC1CC2 ZINC001278805996 828291534 /nfs/dbraw/zinc/29/15/34/828291534.db2.gz LKHVSTXUULGFPM-LBPRGKRZSA-N 1 0 294.315 -0.213 20 5 CBBDRO Cc1n[nH]c(C(=O)NC[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001326936241 885197751 /nfs/dbraw/zinc/19/77/51/885197751.db2.gz GDBHWVPAUTWETD-ZETCQYMHSA-N 1 0 269.261 -0.655 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC001325894990 884838929 /nfs/dbraw/zinc/83/89/29/884838929.db2.gz CVRUOWBFOVAVIR-ZETCQYMHSA-N 1 0 294.271 -0.091 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCO1 ZINC001326086805 884899692 /nfs/dbraw/zinc/89/96/92/884899692.db2.gz FYGXZEATTGMKTO-CBAPKCEASA-N 1 0 283.288 -0.484 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001326131927 884917548 /nfs/dbraw/zinc/91/75/48/884917548.db2.gz CDXYDROJAJNTMC-MRVPVSSYSA-N 1 0 280.288 -0.555 20 5 CBBDRO NC(=O)[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326236790 884952232 /nfs/dbraw/zinc/95/22/32/884952232.db2.gz NZUHRFVQWGAZKI-ZJUUUORDSA-N 1 0 269.257 -0.936 20 5 CBBDRO NC(=O)[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326236789 884954587 /nfs/dbraw/zinc/95/45/87/884954587.db2.gz NZUHRFVQWGAZKI-VHSXEESVSA-N 1 0 269.257 -0.936 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001326305261 884981141 /nfs/dbraw/zinc/98/11/41/884981141.db2.gz DQLSDHWGYPXOSU-IUCAKERBSA-N 1 0 280.288 -0.603 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001326305639 884982436 /nfs/dbraw/zinc/98/24/36/884982436.db2.gz JCMXRJLWYGXNMA-VIFPVBQESA-N 1 0 280.284 -0.423 20 5 CBBDRO O=[N+]([O-])c1cnn(CCN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC001326692152 885112422 /nfs/dbraw/zinc/11/24/22/885112422.db2.gz DWLZYTKUKGZRGB-GFCCVEGCSA-N 1 0 294.359 -0.229 20 5 CBBDRO C[NH2+]CCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001326821149 885165454 /nfs/dbraw/zinc/16/54/54/885165454.db2.gz RHACMDZEABFWBM-UHFFFAOYSA-N 1 0 255.278 -0.024 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC1CC[NH2+]CC1 ZINC001327469779 885365710 /nfs/dbraw/zinc/36/57/10/885365710.db2.gz ZHAJXUBWJXPDLS-UHFFFAOYSA-N 1 0 282.304 -0.308 20 5 CBBDRO C[C@@]1(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001327592393 885421093 /nfs/dbraw/zinc/42/10/93/885421093.db2.gz KMDSMNHLBWKARJ-GFCCVEGCSA-N 1 0 280.284 -0.375 20 5 CBBDRO [NH3+][C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[C@H]1F ZINC001327942395 885537782 /nfs/dbraw/zinc/53/77/82/885537782.db2.gz ZQUNDHXRWVRDFL-RKDXNWHRSA-N 1 0 298.274 -0.346 20 5 CBBDRO NC(=O)c1cc(N2CCC([NH3+])(CO)CC2)ccc1[N+](=O)[O-] ZINC001328009225 885554517 /nfs/dbraw/zinc/55/45/17/885554517.db2.gz HTXSDENREUMCHJ-UHFFFAOYSA-N 1 0 294.311 -0.016 20 5 CBBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001329139792 885944672 /nfs/dbraw/zinc/94/46/72/885944672.db2.gz AARRHLPWBOXEPD-WCABBAIRSA-N 1 0 297.315 -0.604 20 5 CBBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001329518841 886103250 /nfs/dbraw/zinc/10/32/50/886103250.db2.gz CMJGZYGSHIBLSG-RNFRBKRXSA-N 1 0 256.266 -0.572 20 5 CBBDRO COCC[NH2+]CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001332180970 887145381 /nfs/dbraw/zinc/14/53/81/887145381.db2.gz VAXRFNJIWPHPFM-UHFFFAOYSA-N 1 0 285.304 -0.397 20 5 CBBDRO C[C@H]1[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001332477416 887310978 /nfs/dbraw/zinc/31/09/78/887310978.db2.gz KDFPVPVWZOHNPX-VHSXEESVSA-N 1 0 294.311 -0.035 20 5 CBBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC001336304114 888739881 /nfs/dbraw/zinc/73/98/81/888739881.db2.gz TXEGTZVXTPLAPD-QMMMGPOBSA-N 1 0 251.308 -0.866 20 5 CBBDRO CNC(=O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336702779 888850296 /nfs/dbraw/zinc/85/02/96/888850296.db2.gz FBENNSGBPPSCPW-JTQLQIEISA-N 1 0 283.284 -0.330 20 5 CBBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001345813791 890170426 /nfs/dbraw/zinc/17/04/26/890170426.db2.gz XUJVWBBCKCDGEF-SSDOTTSWSA-N 1 0 253.262 -0.001 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001345831579 890172630 /nfs/dbraw/zinc/17/26/30/890172630.db2.gz XDKUPXDJSJZOGB-ZETCQYMHSA-N 1 0 253.262 -0.190 20 5 CBBDRO [NH3+]C1(c2noc(Cn3cnc([N+](=O)[O-])n3)n2)CCC1 ZINC001345929954 890183524 /nfs/dbraw/zinc/18/35/24/890183524.db2.gz IHUUSKMVJWRTSK-UHFFFAOYSA-N 1 0 265.233 -0.045 20 5 CBBDRO C[NH2+]C[C@@H](C)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001346014052 890194556 /nfs/dbraw/zinc/19/45/56/890194556.db2.gz JZCMXPWAURWLHN-SECBINFHSA-N 1 0 282.300 -0.272 20 5 CBBDRO [NH3+]C1(CO)CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001347219373 890430351 /nfs/dbraw/zinc/43/03/51/890430351.db2.gz DKOSMCSWBMQSSM-UHFFFAOYSA-N 1 0 268.273 -0.015 20 5 CBBDRO O=CN1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001347758151 890509436 /nfs/dbraw/zinc/50/94/36/890509436.db2.gz ALIMCOYVRZBQSK-GFCCVEGCSA-N 1 0 297.315 -0.684 20 5 CBBDRO CC(C)(CC[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001348942018 890731850 /nfs/dbraw/zinc/73/18/50/890731850.db2.gz DHIPHZLOEDJPHF-UHFFFAOYSA-N 1 0 256.266 -0.570 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC12CC(C1)C[NH2+]2 ZINC001350409213 890979359 /nfs/dbraw/zinc/97/93/59/890979359.db2.gz FLQLZHAAHBMHMP-UHFFFAOYSA-N 1 0 266.261 -0.946 20 5 CBBDRO C[C@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]C1 ZINC001350422925 890984881 /nfs/dbraw/zinc/98/48/81/890984881.db2.gz LCHBWFHVEPWPEY-VIFPVBQESA-N 1 0 254.250 -0.946 20 5 CBBDRO COCC1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001350697236 891026163 /nfs/dbraw/zinc/02/61/63/891026163.db2.gz LUVYIMNDAUWCPK-LLVKDONJSA-N 1 0 270.289 -0.270 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH3+])C2)n1 ZINC001351352543 891133057 /nfs/dbraw/zinc/13/30/57/891133057.db2.gz OPCMSZXOMCALFE-LURJTMIESA-N 1 0 275.290 -0.950 20 5 CBBDRO CCN(CC[NH2+]CCOC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482924808 917338162 /nfs/dbraw/zinc/33/81/62/917338162.db2.gz MHPMUQWNYPLRKF-NXEZZACHSA-N 1 0 259.306 -0.264 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000126297853 187231042 /nfs/dbraw/zinc/23/10/42/187231042.db2.gz SUQFBNAAPWTEHE-QMMMGPOBSA-N 1 0 267.289 -0.080 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000351829394 219217748 /nfs/dbraw/zinc/21/77/48/219217748.db2.gz BDSDGIPHAGDOFA-BDAKNGLRSA-N 1 0 267.289 -0.013 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000274483931 352538637 /nfs/dbraw/zinc/53/86/37/352538637.db2.gz ARONVUORCPHAIA-UHFFFAOYSA-N 1 0 285.304 -0.778 20 5 CBBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N(C)C ZINC000049098040 282665345 /nfs/dbraw/zinc/66/53/45/282665345.db2.gz XFIBXYMKNIVVIT-SCZZXKLOSA-N 1 0 285.304 -0.782 20 5 CBBDRO O=C(NCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000036278531 351390078 /nfs/dbraw/zinc/39/00/78/351390078.db2.gz AKQJPANPDUOOCJ-UHFFFAOYSA-N 1 0 268.273 -0.177 20 5 CBBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037668502 351402648 /nfs/dbraw/zinc/40/26/48/351402648.db2.gz POHDPCZDTWUIJU-GHMZBOCLSA-N 1 0 265.269 -0.066 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[NH2+]CC1 ZINC000043403913 351441599 /nfs/dbraw/zinc/44/15/99/351441599.db2.gz RESWYZOHJZDZKD-UHFFFAOYSA-N 1 0 253.262 -0.387 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000044721350 351446215 /nfs/dbraw/zinc/44/62/15/351446215.db2.gz DQZBFELZIMSSQJ-MFKMUULPSA-N 1 0 295.343 -0.022 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000046478831 351454296 /nfs/dbraw/zinc/45/42/96/351454296.db2.gz KHVWFGBJKHLNNU-UHFFFAOYSA-N 1 0 296.331 -0.462 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000037882050 351410289 /nfs/dbraw/zinc/41/02/89/351410289.db2.gz BYTAMAXDRVHIEN-MNOVXSKESA-N 1 0 270.289 -0.079 20 5 CBBDRO [NH3+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835076 351421381 /nfs/dbraw/zinc/42/13/81/351421381.db2.gz XVKYKOYNMOTVFF-UHFFFAOYSA-N 1 0 265.273 -0.403 20 5 CBBDRO CC(C)[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000049033061 351483919 /nfs/dbraw/zinc/48/39/19/351483919.db2.gz GGYGQIBPODSPBE-UHFFFAOYSA-N 1 0 282.304 -0.261 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]CC1 ZINC000053299352 351526861 /nfs/dbraw/zinc/52/68/61/351526861.db2.gz FNJJDFPLJJAHBE-UHFFFAOYSA-N 1 0 253.262 -0.387 20 5 CBBDRO CN(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000061996166 351573134 /nfs/dbraw/zinc/57/31/34/351573134.db2.gz XDXLECAZJBEGQN-GFCCVEGCSA-N 1 0 283.332 -0.164 20 5 CBBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000071149475 351643321 /nfs/dbraw/zinc/64/33/21/351643321.db2.gz CGHNHWXUYKIWLX-UHFFFAOYSA-N 1 0 281.316 -0.100 20 5 CBBDRO CN(C)C(=O)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075619332 351668710 /nfs/dbraw/zinc/66/87/10/351668710.db2.gz CBHQIGJJZIUTHK-SNVBAGLBSA-N 1 0 285.304 -0.828 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCOCC2)c1 ZINC000075675099 351670122 /nfs/dbraw/zinc/67/01/22/351670122.db2.gz UTHXONVXZYEHDT-NSHDSACASA-N 1 0 270.289 -0.126 20 5 CBBDRO CN1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000084086979 351716501 /nfs/dbraw/zinc/71/65/01/351716501.db2.gz TXYZCPDKVNRCBX-ONGXEEELSA-N 1 0 297.315 -0.637 20 5 CBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[NH2+]C1 ZINC000090289332 351740196 /nfs/dbraw/zinc/74/01/96/351740196.db2.gz OOZYCUVFFBVTDB-UHFFFAOYSA-N 1 0 287.297 -0.147 20 5 CBBDRO C[NH2+]CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000121615758 186985052 /nfs/dbraw/zinc/98/50/52/186985052.db2.gz GGHLGNOHYUNQJA-UHFFFAOYSA-N 1 0 268.273 -0.518 20 5 CBBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C[NH3+])C1 ZINC000122626775 351852455 /nfs/dbraw/zinc/85/24/55/351852455.db2.gz GDJKYSXFBVFFFU-MRVPVSSYSA-N 1 0 267.289 -0.362 20 5 CBBDRO CC[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000124699235 351857276 /nfs/dbraw/zinc/85/72/76/351857276.db2.gz CAURWXJAHKHDRF-ZJUUUORDSA-N 1 0 258.278 -0.487 20 5 CBBDRO C[C@@]1(O)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000124082613 187121527 /nfs/dbraw/zinc/12/15/27/187121527.db2.gz ICPORKCTRWXGMI-NWDGAFQWSA-N 1 0 284.316 -0.001 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCOC2)c1 ZINC000131563490 351887185 /nfs/dbraw/zinc/88/71/85/351887185.db2.gz KGSWCONSTOOJOI-WCBMZHEXSA-N 1 0 256.262 -0.469 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000133011011 351896469 /nfs/dbraw/zinc/89/64/69/351896469.db2.gz ADMVVPHSAZPPHS-GFCCVEGCSA-N 1 0 297.315 -0.187 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000165599181 351985977 /nfs/dbraw/zinc/98/59/77/351985977.db2.gz HOVZBSGWFBRDBU-ZETCQYMHSA-N 1 0 255.230 -0.013 20 5 CBBDRO COCCN(CCn1ccc([N+](=O)[O-])n1)[C@@H](C)C(N)=O ZINC000176235033 352063046 /nfs/dbraw/zinc/06/30/46/352063046.db2.gz ZVQNJJAJYDSKMM-VIFPVBQESA-N 1 0 285.304 -0.387 20 5 CBBDRO COCCN(CCn1ccc([N+](=O)[O-])n1)CC(=O)OC ZINC000176243649 352063433 /nfs/dbraw/zinc/06/34/33/352063433.db2.gz ODZWFMZNHAARSB-UHFFFAOYSA-N 1 0 286.288 -0.087 20 5 CBBDRO COCCCNC(=O)CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218645 352063557 /nfs/dbraw/zinc/06/35/57/352063557.db2.gz LCDGCTMMPPOENZ-UHFFFAOYSA-N 1 0 299.331 -0.124 20 5 CBBDRO COC(=O)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176229683 352063621 /nfs/dbraw/zinc/06/36/21/352063621.db2.gz AUUOHABAFJMICG-VIFPVBQESA-N 1 0 284.272 -0.335 20 5 CBBDRO C[N@@H+](CC(=O)NC1CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173501274 352037548 /nfs/dbraw/zinc/03/75/48/352037548.db2.gz DRADBXSIQGBFMK-NSHDSACASA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000186761226 352131561 /nfs/dbraw/zinc/13/15/61/352131561.db2.gz WRQPJKCGNZPVNQ-GXSJLCMTSA-N 1 0 294.311 -0.129 20 5 CBBDRO C[NH2+]C[C@@H](C)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179170182 352088624 /nfs/dbraw/zinc/08/86/24/352088624.db2.gz JNDAKVDYQBEPHK-MRVPVSSYSA-N 1 0 255.278 -0.237 20 5 CBBDRO C[NH+](C)CCCNC(=O)Cn1nccc1[N+](=O)[O-] ZINC000179798219 352093231 /nfs/dbraw/zinc/09/32/31/352093231.db2.gz IPYLUUHPHCJNFM-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188960554 352162530 /nfs/dbraw/zinc/16/25/30/352162530.db2.gz MYQJHCKHNDYUIQ-IONNQARKSA-N 1 0 271.252 -0.393 20 5 CBBDRO CN1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1=O ZINC000191112778 352187252 /nfs/dbraw/zinc/18/72/52/352187252.db2.gz ZCCYDAIMNJOBJI-UHFFFAOYSA-N 1 0 267.289 -0.045 20 5 CBBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CCO ZINC000187696465 352140965 /nfs/dbraw/zinc/14/09/65/352140965.db2.gz KYACOVYKPWDWAA-LLVKDONJSA-N 1 0 283.332 -0.210 20 5 CBBDRO C[NH+](C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000194336763 352213635 /nfs/dbraw/zinc/21/36/35/352213635.db2.gz ZWLBRAYCPBHSSN-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO Cn1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000213173277 352229680 /nfs/dbraw/zinc/22/96/80/352229680.db2.gz MQQVBMFVDPOWGC-NSHDSACASA-N 1 0 280.288 -0.325 20 5 CBBDRO C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228113289 352261497 /nfs/dbraw/zinc/26/14/97/352261497.db2.gz PCQWISNNIRXJSQ-WCABBAIRSA-N 1 0 272.305 -0.099 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000228748627 352265452 /nfs/dbraw/zinc/26/54/52/352265452.db2.gz BSWHYYOBMLFVTM-GFCCVEGCSA-N 1 0 284.316 -0.024 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000228754490 352265482 /nfs/dbraw/zinc/26/54/82/352265482.db2.gz QQKUZKDFJNLSKF-LLVKDONJSA-N 1 0 285.304 -0.780 20 5 CBBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237236109 352302199 /nfs/dbraw/zinc/30/21/99/352302199.db2.gz OLQVHHXEDPXRTG-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C[NH2+]1 ZINC000237443394 352305292 /nfs/dbraw/zinc/30/52/92/352305292.db2.gz HJLYDTPTBZYAMO-SFYZADRCSA-N 1 0 268.277 -0.605 20 5 CBBDRO Nc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000238108031 352313993 /nfs/dbraw/zinc/31/39/93/352313993.db2.gz STVYGQQJRDEBGC-UHFFFAOYSA-N 1 0 293.327 -0.188 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000248390293 352351787 /nfs/dbraw/zinc/35/17/87/352351787.db2.gz HYFHKAKOLMQRPL-WCBMZHEXSA-N 1 0 256.262 -0.781 20 5 CBBDRO C[C@]1(O)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248342721 352351969 /nfs/dbraw/zinc/35/19/69/352351969.db2.gz JSRDGCSYONGVEG-MNOVXSKESA-N 1 0 270.289 -0.391 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246818827 352338808 /nfs/dbraw/zinc/33/88/08/352338808.db2.gz CCJMQDKFHNTXMF-WCQYABFASA-N 1 0 295.343 -0.068 20 5 CBBDRO C[C@H](O)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247525560 352347486 /nfs/dbraw/zinc/34/74/86/352347486.db2.gz NTJYTNGCEUJWMW-WCBMZHEXSA-N 1 0 258.278 -0.535 20 5 CBBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261691226 352393765 /nfs/dbraw/zinc/39/37/65/352393765.db2.gz INVLLAOXZOCQJC-RKDXNWHRSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[C@H](CO)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](C)O ZINC000248935426 352358572 /nfs/dbraw/zinc/35/85/72/352358572.db2.gz NDNZQPUZEQHOCY-ZJUUUORDSA-N 1 0 272.305 -0.145 20 5 CBBDRO C[NH2+][C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000269144529 352462784 /nfs/dbraw/zinc/46/27/84/352462784.db2.gz XUUFSDNKWQEYID-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000279690726 352585671 /nfs/dbraw/zinc/58/56/71/352585671.db2.gz GBSAQVXVZXYOPY-GHMZBOCLSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[NH+](C)C ZINC000299522273 352725254 /nfs/dbraw/zinc/72/52/54/352725254.db2.gz PLGMEXSZLFHOCA-VIFPVBQESA-N 1 0 282.300 -0.177 20 5 CBBDRO CC(C)(O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000311953777 352772546 /nfs/dbraw/zinc/77/25/46/352772546.db2.gz ZRBKDLCSFDXIDP-SNVBAGLBSA-N 1 0 272.305 -0.097 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000330403383 352819931 /nfs/dbraw/zinc/81/99/31/352819931.db2.gz BYJJXERTCMSEHA-NXEZZACHSA-N 1 0 256.262 -0.781 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000315851268 352780843 /nfs/dbraw/zinc/78/08/43/352780843.db2.gz FVTVKSQFKCWZQZ-NWDGAFQWSA-N 1 0 284.316 -0.097 20 5 CBBDRO CCn1cc(S(=O)(=O)NCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000330461953 352829149 /nfs/dbraw/zinc/82/91/49/352829149.db2.gz XUSBISCQVMLEDU-UHFFFAOYSA-N 1 0 291.333 -0.349 20 5 CBBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000153727129 188100141 /nfs/dbraw/zinc/10/01/41/188100141.db2.gz SMQHZYZKKMIKFH-JTQLQIEISA-N 1 0 296.331 -0.015 20 5 CBBDRO [NH3+][C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000179571562 137645124 /nfs/dbraw/zinc/64/51/24/137645124.db2.gz HWPWIENAHLOGCD-SECBINFHSA-N 1 0 253.262 -0.355 20 5 CBBDRO C[C@@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCC[N@@H+]1C ZINC000343565592 353278839 /nfs/dbraw/zinc/27/88/39/353278839.db2.gz RUSZWJHHLGXTAD-BDAKNGLRSA-N 1 0 282.304 -0.215 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000228753581 137673268 /nfs/dbraw/zinc/67/32/68/137673268.db2.gz HICGFYPSQHVDQW-NSHDSACASA-N 1 0 270.289 -0.035 20 5 CBBDRO CCn1cc(S(=O)(=O)NCC[NH3+])c([N+](=O)[O-])n1 ZINC000353221963 353528886 /nfs/dbraw/zinc/52/88/86/353528886.db2.gz YKGNMMCGDRNRRT-UHFFFAOYSA-N 1 0 263.279 -0.952 20 5 CBBDRO CCn1cc(S(=O)(=O)NC(C)(C)C[NH3+])c([N+](=O)[O-])n1 ZINC000353219338 353529295 /nfs/dbraw/zinc/52/92/95/353529295.db2.gz RZHWXMLVICOMBO-UHFFFAOYSA-N 1 0 291.333 -0.173 20 5 CBBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353960102 353536646 /nfs/dbraw/zinc/53/66/46/353536646.db2.gz MUQOHMCTLVAPCV-QMMMGPOBSA-N 1 0 268.277 -0.603 20 5 CBBDRO C[NH+]1CCC(O)(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000354736265 353581694 /nfs/dbraw/zinc/58/16/94/353581694.db2.gz NZSCOSFIMNXRSH-UHFFFAOYSA-N 1 0 297.315 -0.636 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000358058900 353623474 /nfs/dbraw/zinc/62/34/74/353623474.db2.gz RKVYVEZAYLSMKO-NSHDSACASA-N 1 0 268.273 -0.281 20 5 CBBDRO Cc1n[nH]c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358060121 353623844 /nfs/dbraw/zinc/62/38/44/353623844.db2.gz DVIHCUAUPFOCSG-NSHDSACASA-N 1 0 283.288 -0.577 20 5 CBBDRO [NH3+]C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000358135806 353628667 /nfs/dbraw/zinc/62/86/67/353628667.db2.gz KVEVQNZQYHTVSL-SECBINFHSA-N 1 0 255.278 -0.549 20 5 CBBDRO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+](C)C ZINC000357858373 353610395 /nfs/dbraw/zinc/61/03/95/353610395.db2.gz AHUJTLOMLQGLAD-SSDOTTSWSA-N 1 0 256.266 -0.747 20 5 CBBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000371597496 353704419 /nfs/dbraw/zinc/70/44/19/353704419.db2.gz QNNFJNROQVMJEB-JHJVBQTASA-N 1 0 296.371 -0.110 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(O)(C3CC3)C2)c1 ZINC000372689280 353721275 /nfs/dbraw/zinc/72/12/75/353721275.db2.gz DACUBDPAYUXBPB-LLVKDONJSA-N 1 0 282.300 -0.391 20 5 CBBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408071593 353843756 /nfs/dbraw/zinc/84/37/56/353843756.db2.gz OBBLRIXXDNAFCG-RKDXNWHRSA-N 1 0 282.304 -0.263 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000408087474 353846306 /nfs/dbraw/zinc/84/63/06/353846306.db2.gz BBDDRQMZOYJMLF-VIFPVBQESA-N 1 0 280.288 -0.507 20 5 CBBDRO COC(=O)[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+](C)C1 ZINC000413505579 353956436 /nfs/dbraw/zinc/95/64/36/353956436.db2.gz VBGIFJXAPMVXQJ-SECBINFHSA-N 1 0 297.315 -0.131 20 5 CBBDRO [NH3+]CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000428741467 354246992 /nfs/dbraw/zinc/24/69/92/354246992.db2.gz ZMEVTMDIWYSPLW-UHFFFAOYSA-N 1 0 295.299 -0.531 20 5 CBBDRO CC[NH2+][C@H](C)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000262506465 137720235 /nfs/dbraw/zinc/72/02/35/137720235.db2.gz ZZYYKWDZOKFGGI-MRVPVSSYSA-N 1 0 255.278 -0.095 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447921118 354308925 /nfs/dbraw/zinc/30/89/25/354308925.db2.gz JLQSDNVIMBPPGB-NWDGAFQWSA-N 1 0 297.311 -0.114 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)[C@@H]2CCCO2)n1 ZINC000447921929 354309371 /nfs/dbraw/zinc/30/93/71/354309371.db2.gz NBGJUSNCGNQWIC-ZJUUUORDSA-N 1 0 270.289 -0.079 20 5 CBBDRO O=C(CC[NH+]1C[C@@H](O)[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444695357 354277020 /nfs/dbraw/zinc/27/70/20/354277020.db2.gz MFPUQLIGRFGQCH-VXGBXAGGSA-N 1 0 295.295 -0.039 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000479771852 354408387 /nfs/dbraw/zinc/40/83/87/354408387.db2.gz NMVHJRBDTNHTQJ-LJGSYFOKSA-N 1 0 289.317 -0.421 20 5 CBBDRO CC[C@@]1(O)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194069 354499375 /nfs/dbraw/zinc/49/93/75/354499375.db2.gz NNGSRXUOCYYIJJ-NWDGAFQWSA-N 1 0 284.316 -0.001 20 5 CBBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000519534503 354561614 /nfs/dbraw/zinc/56/16/14/354561614.db2.gz AREXGPKOWWZXOO-WCABBAIRSA-N 1 0 298.299 -0.307 20 5 CBBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000525291967 354571337 /nfs/dbraw/zinc/57/13/37/354571337.db2.gz VHHGNDDFRPCCBF-SECBINFHSA-N 1 0 282.304 -0.356 20 5 CBBDRO Cn1c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000556976985 354684174 /nfs/dbraw/zinc/68/41/74/354684174.db2.gz FUIZEJLHFCVTPU-UWVGGRQHSA-N 1 0 282.300 -0.320 20 5 CBBDRO COC[C@@]1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CCC[NH2+]1 ZINC000564449622 354712837 /nfs/dbraw/zinc/71/28/37/354712837.db2.gz GTRMFOREQQPKHH-LBPRGKRZSA-N 1 0 297.315 -0.173 20 5 CBBDRO C[C@H](C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000564959816 354723043 /nfs/dbraw/zinc/72/30/43/354723043.db2.gz YUQJNHKYIGGARZ-ZCFIWIBFSA-N 1 0 260.275 -0.385 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000567268542 354785104 /nfs/dbraw/zinc/78/51/04/354785104.db2.gz FWFVRFLEIYNRPW-RQJHMYQMSA-N 1 0 251.246 -0.248 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCC[NH3+])c1 ZINC000565478253 354738513 /nfs/dbraw/zinc/73/85/13/354738513.db2.gz SSJLECVMHIKVPZ-UHFFFAOYSA-N 1 0 255.230 -0.108 20 5 CBBDRO [NH3+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000567830700 354799938 /nfs/dbraw/zinc/79/99/38/354799938.db2.gz QRMPTCSSBZJUAK-LURJTMIESA-N 1 0 252.230 -0.131 20 5 CBBDRO COC[C@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000570962841 354873598 /nfs/dbraw/zinc/87/35/98/354873598.db2.gz KCDUARWHWBDTFB-LLVKDONJSA-N 1 0 283.288 -0.184 20 5 CBBDRO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H](C)[NH3+] ZINC000568867244 354834360 /nfs/dbraw/zinc/83/43/60/354834360.db2.gz PEFVXVZPBSYTPX-JGVFFNPUSA-N 1 0 268.273 -0.392 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000572167425 354888024 /nfs/dbraw/zinc/88/80/24/354888024.db2.gz FKQVVJJNULWEMU-GXSJLCMTSA-N 1 0 281.316 -0.109 20 5 CBBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[NH2+]CC1 ZINC000572602467 354894482 /nfs/dbraw/zinc/89/44/82/354894482.db2.gz RIXDBJWNZJCELO-UHFFFAOYSA-N 1 0 293.327 -0.188 20 5 CBBDRO Cc1n[nH]c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000573631873 354917976 /nfs/dbraw/zinc/91/79/76/354917976.db2.gz DFDAHGBDNNSCDJ-YUMQZZPRSA-N 1 0 283.288 -0.627 20 5 CBBDRO [NH3+][C@@H]1C[C@H]2CN(c3ncccc3[N+](=O)[O-])CCN2C1=O ZINC000578787362 354955351 /nfs/dbraw/zinc/95/53/51/354955351.db2.gz MHXXJTGEGNADMQ-DTWKUNHWSA-N 1 0 277.284 -0.262 20 5 CBBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583630902 355021291 /nfs/dbraw/zinc/02/12/91/355021291.db2.gz YPAFMABQTMIRAB-QMSLJYSESA-N 1 0 284.297 -0.514 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000583993449 355026193 /nfs/dbraw/zinc/02/61/93/355026193.db2.gz CKMNQFYUYIRGDU-NSHDSACASA-N 1 0 297.315 -0.242 20 5 CBBDRO CN1C[C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590010455 355072861 /nfs/dbraw/zinc/07/28/61/355072861.db2.gz IUZBDAOGKHMKIG-CYZMBNFOSA-N 1 0 295.343 -0.212 20 5 CBBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590445765 355080807 /nfs/dbraw/zinc/08/08/07/355080807.db2.gz RPAWIOGWPCVYJC-RKDXNWHRSA-N 1 0 280.288 -0.651 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1[nH]ncc1[N+](=O)[O-] ZINC000585682913 355048607 /nfs/dbraw/zinc/04/86/07/355048607.db2.gz XHLNLYHZTSTMFQ-VIFPVBQESA-N 1 0 294.315 -0.562 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000588864313 355061987 /nfs/dbraw/zinc/06/19/87/355061987.db2.gz DGILCUSPXBJRDV-ZETCQYMHSA-N 1 0 257.246 -0.160 20 5 CBBDRO Cc1nn(C)c(N[C@@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000589102032 355064761 /nfs/dbraw/zinc/06/47/61/355064761.db2.gz ULOHUNSMKYBAQY-MRVPVSSYSA-N 1 0 257.294 -0.029 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCC[NH2+]1 ZINC000591677310 355107507 /nfs/dbraw/zinc/10/75/07/355107507.db2.gz IIEITXBWQUYIEQ-QMMMGPOBSA-N 1 0 268.277 -0.555 20 5 CBBDRO O=C1CCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)N1 ZINC000591763892 355112940 /nfs/dbraw/zinc/11/29/40/355112940.db2.gz PVKQYONFNAFERJ-ONGXEEELSA-N 1 0 297.315 -0.590 20 5 CBBDRO O=C1CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)N1 ZINC000591763890 355113227 /nfs/dbraw/zinc/11/32/27/355113227.db2.gz PVKQYONFNAFERJ-KOLCDFICSA-N 1 0 297.315 -0.590 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570575 355166510 /nfs/dbraw/zinc/16/65/10/355166510.db2.gz OEEGJQJWTJMLHK-SECBINFHSA-N 1 0 294.315 -0.023 20 5 CBBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198821 355140328 /nfs/dbraw/zinc/14/03/28/355140328.db2.gz OYKQFOSXJUGEKQ-VHSXEESVSA-N 1 0 298.299 -0.353 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[NH3+] ZINC000592332970 355148258 /nfs/dbraw/zinc/14/82/58/355148258.db2.gz CARXZQPCPCKXJN-ZETCQYMHSA-N 1 0 255.278 -0.047 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[NH3+] ZINC000592332969 355148351 /nfs/dbraw/zinc/14/83/51/355148351.db2.gz CARXZQPCPCKXJN-SSDOTTSWSA-N 1 0 255.278 -0.047 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000592985015 355188604 /nfs/dbraw/zinc/18/86/04/355188604.db2.gz ZXYQPJFOASHJDQ-ONGXEEELSA-N 1 0 269.305 -0.161 20 5 CBBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595106379 355271740 /nfs/dbraw/zinc/27/17/40/355271740.db2.gz UXROMUIRFYZVTQ-QMMMGPOBSA-N 1 0 286.313 -0.041 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2C[NH2+]CCO2)c1=O ZINC000594698016 355258528 /nfs/dbraw/zinc/25/85/28/355258528.db2.gz HRKCUCYYJXNSCS-SECBINFHSA-N 1 0 297.267 -0.469 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595757618 355305344 /nfs/dbraw/zinc/30/53/44/355305344.db2.gz NZVOCDSYWWRSQB-ZMLRMANQSA-N 1 0 282.300 -0.391 20 5 CBBDRO COc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])C[C@H](O)CO ZINC000595901114 355315241 /nfs/dbraw/zinc/31/52/41/355315241.db2.gz AAVSOOWSPNARAK-LBPRGKRZSA-N 1 0 299.327 -0.283 20 5 CBBDRO [NH3+][C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[C@H]1F ZINC000595948542 355325181 /nfs/dbraw/zinc/32/51/81/355325181.db2.gz RJTROMISZVDAIC-PHDIDXHHSA-N 1 0 257.225 -0.171 20 5 CBBDRO O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(O)C[NH2+]C1 ZINC000595952884 355326633 /nfs/dbraw/zinc/32/66/33/355326633.db2.gz BVRHTVVQYQGDAQ-UHFFFAOYSA-N 1 0 278.268 -0.791 20 5 CBBDRO [NH3+][C@H]1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000595955595 355328031 /nfs/dbraw/zinc/32/80/31/355328031.db2.gz GVSCTPUECKWECI-ZKCHVHJHSA-N 1 0 253.262 -0.355 20 5 CBBDRO Nc1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc1[N+](=O)[O-] ZINC000596013652 355338472 /nfs/dbraw/zinc/33/84/72/355338472.db2.gz ITVYQHDBMIGKBY-VXNVDRBHSA-N 1 0 292.299 -0.680 20 5 CBBDRO Nc1c(C(=O)N2CCOC3(C[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000596097869 355344299 /nfs/dbraw/zinc/34/42/99/355344299.db2.gz IENLEQOKFDNHSV-UHFFFAOYSA-N 1 0 292.295 -0.009 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598163046 355433294 /nfs/dbraw/zinc/43/32/94/355433294.db2.gz MHEJKTMDPCHEDU-UHFFFAOYSA-N 1 0 267.289 -0.038 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000598164812 355433360 /nfs/dbraw/zinc/43/33/60/355433360.db2.gz WOCCTTLKKNAHKQ-UHFFFAOYSA-N 1 0 267.289 -0.038 20 5 CBBDRO CN(CC1C[NH+](C)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598161996 355433502 /nfs/dbraw/zinc/43/35/02/355433502.db2.gz FSRGGOZNLFLYRQ-UHFFFAOYSA-N 1 0 267.289 -0.189 20 5 CBBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000598670286 355449937 /nfs/dbraw/zinc/44/99/37/355449937.db2.gz TVCFVRWCSLEROW-KWQFWETISA-N 1 0 280.288 -0.474 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531641 355496422 /nfs/dbraw/zinc/49/64/22/355496422.db2.gz HTICRBQHTSHOIZ-DLOVCJGASA-N 1 0 298.295 -0.628 20 5 CBBDRO C[NH2+]CCOCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599609781 355504148 /nfs/dbraw/zinc/50/41/48/355504148.db2.gz ABEYAPNWRNRWER-UHFFFAOYSA-N 1 0 283.288 -0.231 20 5 CBBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599102706 355464401 /nfs/dbraw/zinc/46/44/01/355464401.db2.gz SPEGFUOMTTXVGV-ZCFIWIBFSA-N 1 0 277.306 -0.786 20 5 CBBDRO C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000599105415 355464609 /nfs/dbraw/zinc/46/46/09/355464609.db2.gz CIKNWYGEQGSNTG-NTSWFWBYSA-N 1 0 277.306 -0.658 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599940246 355519927 /nfs/dbraw/zinc/51/99/27/355519927.db2.gz NDZACYUSOMZZIC-RKDXNWHRSA-N 1 0 295.299 -0.401 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600807350 355566386 /nfs/dbraw/zinc/56/63/86/355566386.db2.gz BBSARXISUJYFPT-ZETCQYMHSA-N 1 0 269.261 -0.886 20 5 CBBDRO C[NH2+]CCOCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000600966166 355572665 /nfs/dbraw/zinc/57/26/65/355572665.db2.gz IVGJVHDFUIPKNS-UHFFFAOYSA-N 1 0 270.289 -0.101 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588240 355662954 /nfs/dbraw/zinc/66/29/54/355662954.db2.gz MYYMTTSGAKDQIO-BQBZGAKWSA-N 1 0 251.246 -0.485 20 5 CBBDRO Cn1cc(CN2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603429717 355715301 /nfs/dbraw/zinc/71/53/01/355715301.db2.gz PPUYHMFFXANWKR-VIFPVBQESA-N 1 0 255.278 -0.512 20 5 CBBDRO C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000609257903 355767178 /nfs/dbraw/zinc/76/71/78/355767178.db2.gz RXRLTBNWXDCAMK-MRVPVSSYSA-N 1 0 268.277 -0.603 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609345062 355768650 /nfs/dbraw/zinc/76/86/50/355768650.db2.gz SBOIYWPOXIDFOE-MRVPVSSYSA-N 1 0 280.288 -0.461 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000611185728 355796720 /nfs/dbraw/zinc/79/67/20/355796720.db2.gz VVBXUHYJWPPJDA-GHMZBOCLSA-N 1 0 278.312 -0.092 20 5 CBBDRO C[NH+]1CC2(C1)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000619251675 356212692 /nfs/dbraw/zinc/21/26/92/356212692.db2.gz LLSILVPMNRVHAL-UHFFFAOYSA-N 1 0 279.300 -0.045 20 5 CBBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000298619439 200484413 /nfs/dbraw/zinc/48/44/13/200484413.db2.gz OZYSNRWXXVQCCL-VIFPVBQESA-N 1 0 297.315 -0.106 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[NH2+]C1 ZINC000178392263 189112609 /nfs/dbraw/zinc/11/26/09/189112609.db2.gz CRBUHRYIRSHQPL-QMMMGPOBSA-N 1 0 253.262 -0.341 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[C@H]1CC[NH2+]C1 ZINC000178944641 189156295 /nfs/dbraw/zinc/15/62/95/189156295.db2.gz MATNGUVWDWINDL-SECBINFHSA-N 1 0 267.289 -0.093 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCO)c1 ZINC000551974667 283970366 /nfs/dbraw/zinc/97/03/66/283970366.db2.gz WFAKGVHMBPIDSU-JTQLQIEISA-N 1 0 256.258 -0.084 20 5 CBBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000330610845 203036638 /nfs/dbraw/zinc/03/66/38/203036638.db2.gz OAGYLXGTNGZBCX-QMMMGPOBSA-N 1 0 283.288 -0.280 20 5 CBBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]12 ZINC000248694102 372892261 /nfs/dbraw/zinc/89/22/61/372892261.db2.gz YIWORVQUTBKBER-LPEHRKFASA-N 1 0 279.300 -0.013 20 5 CBBDRO C[N@H+](CCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281931793 372930359 /nfs/dbraw/zinc/93/03/59/372930359.db2.gz SNNHOMBEGMQKGU-JTQLQIEISA-N 1 0 258.278 -0.534 20 5 CBBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1COC[C@@H]1O ZINC000352795689 373107692 /nfs/dbraw/zinc/10/76/92/373107692.db2.gz UAQZAFHYQQSVJK-IUCAKERBSA-N 1 0 256.262 -0.517 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000362089706 373367281 /nfs/dbraw/zinc/36/72/81/373367281.db2.gz JUQJNGNJBWVYKM-FOGDFJRCSA-N 1 0 284.316 -0.288 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363269611 373485475 /nfs/dbraw/zinc/48/54/75/373485475.db2.gz JCZRKHNBUPKMLK-GWOFURMSSA-N 1 0 269.301 -0.369 20 5 CBBDRO CC(=O)NCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000520576775 373832371 /nfs/dbraw/zinc/83/23/71/373832371.db2.gz WCWHFMMFSDYQMK-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000561784855 374301916 /nfs/dbraw/zinc/30/19/16/374301916.db2.gz NAQOLDHVJGWQRK-PWSUYJOCSA-N 1 0 297.311 -0.568 20 5 CBBDRO [NH3+][C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000575331433 374338053 /nfs/dbraw/zinc/33/80/53/374338053.db2.gz WHJWSATYOSJZES-ZJUUUORDSA-N 1 0 277.284 -0.262 20 5 CBBDRO COCC[NH2+]CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000237276319 248164272 /nfs/dbraw/zinc/16/42/72/248164272.db2.gz YFDXGSNDQVJSGB-UHFFFAOYSA-N 1 0 299.331 -0.158 20 5 CBBDRO CO[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000359210686 248564033 /nfs/dbraw/zinc/56/40/33/248564033.db2.gz BJQGAFSNUKPFLG-KOLCDFICSA-N 1 0 297.315 -0.244 20 5 CBBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515208 190263432 /nfs/dbraw/zinc/26/34/32/190263432.db2.gz YRTIZBCRZFMQFT-MWLCHTKSSA-N 1 0 298.299 -0.353 20 5 CBBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](O)[C@@H](O)C1 ZINC000278940972 194222413 /nfs/dbraw/zinc/22/24/13/194222413.db2.gz YDMLIWIKDNHGFH-KPXOXKRLSA-N 1 0 295.295 -0.041 20 5 CBBDRO C[NH2+]CCCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000428138740 208079846 /nfs/dbraw/zinc/07/98/46/208079846.db2.gz CKWHJUKLMQBKCK-UHFFFAOYSA-N 1 0 255.278 -0.175 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[NH2+]C1 ZINC000428184412 208081098 /nfs/dbraw/zinc/08/10/98/208081098.db2.gz MMPHIYSBOWEGOR-QMMMGPOBSA-N 1 0 266.257 -0.765 20 5 CBBDRO C[NH2+][C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000428412601 208086311 /nfs/dbraw/zinc/08/63/11/208086311.db2.gz INRIXEDEWPYDTM-SECBINFHSA-N 1 0 267.289 -0.080 20 5 CBBDRO [NH3+]C[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000428626027 208095477 /nfs/dbraw/zinc/09/54/77/208095477.db2.gz KJMCJTQQEBHIDI-SECBINFHSA-N 1 0 267.289 -0.011 20 5 CBBDRO [NH3+][C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000429083582 208108130 /nfs/dbraw/zinc/10/81/30/208108130.db2.gz KLTJRBVZAFOQFG-QMMMGPOBSA-N 1 0 266.257 -0.684 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000429158521 208112825 /nfs/dbraw/zinc/11/28/25/208112825.db2.gz OYTMTCAYPFEMLS-WPRPVWTQSA-N 1 0 267.289 -0.013 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000429308300 208119735 /nfs/dbraw/zinc/11/97/35/208119735.db2.gz QLTZOENOUBSYTJ-UHFFFAOYSA-N 1 0 263.261 -0.032 20 5 CBBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000432514607 208226315 /nfs/dbraw/zinc/22/63/15/208226315.db2.gz MXDZAUNEORSXCK-BDAKNGLRSA-N 1 0 267.289 -0.095 20 5 CBBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O ZINC000440964164 208347821 /nfs/dbraw/zinc/34/78/21/208347821.db2.gz NLPBFMHJEJIQKK-QWRGUYRKSA-N 1 0 297.315 -0.637 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[NH+]1CCCC1 ZINC000349673937 218901329 /nfs/dbraw/zinc/90/13/29/218901329.db2.gz INEKBRAFZFKLFP-UHFFFAOYSA-N 1 0 282.304 -0.212 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)[C@@H]2CCCO2)n1 ZINC000447921927 285168430 /nfs/dbraw/zinc/16/84/30/285168430.db2.gz NBGJUSNCGNQWIC-UWVGGRQHSA-N 1 0 270.289 -0.079 20 5 CBBDRO C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000275381089 135105598 /nfs/dbraw/zinc/10/55/98/135105598.db2.gz PDPGNIWGUVTANI-DTWKUNHWSA-N 1 0 296.331 -0.142 20 5 CBBDRO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000275381091 135105807 /nfs/dbraw/zinc/10/58/07/135105807.db2.gz PDPGNIWGUVTANI-IUCAKERBSA-N 1 0 296.331 -0.142 20 5 CBBDRO COc1ccc(S(=O)(=O)NCC[NH3+])c([N+](=O)[O-])c1 ZINC000020562305 171252427 /nfs/dbraw/zinc/25/24/27/171252427.db2.gz ZMVPILTWENSFQX-UHFFFAOYSA-N 1 0 275.286 -0.160 20 5 CBBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285076693 196191397 /nfs/dbraw/zinc/19/13/97/196191397.db2.gz MCBSDKLYQVMCSX-ZETCQYMHSA-N 1 0 253.262 -0.001 20 5 CBBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](C)CC1 ZINC000285390629 196269809 /nfs/dbraw/zinc/26/98/09/196269809.db2.gz CALUUKJKODLLQX-SECBINFHSA-N 1 0 296.331 -0.316 20 5 CBBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285642840 196353441 /nfs/dbraw/zinc/35/34/41/196353441.db2.gz FLVBLHBFVKPUGN-ZJUUUORDSA-N 1 0 295.299 -0.137 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CC1 ZINC000285667056 196359955 /nfs/dbraw/zinc/35/99/55/196359955.db2.gz ZKWFLLDQFRPBMZ-JTQLQIEISA-N 1 0 270.289 -0.391 20 5 CBBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037668500 173610579 /nfs/dbraw/zinc/61/05/79/173610579.db2.gz POHDPCZDTWUIJU-WDEREUQCSA-N 1 0 265.269 -0.066 20 5 CBBDRO O=C(CNC(=O)c1ccc([N+](=O)[O-])s1)N1CC[NH2+]CC1 ZINC000040507909 419420919 /nfs/dbraw/zinc/42/09/19/419420919.db2.gz DAQGKWYOSMKRKH-UHFFFAOYSA-N 1 0 298.324 -0.182 20 5 CBBDRO Nc1nc(N2CCC([NH2+]CCO)CC2)ncc1[N+](=O)[O-] ZINC000342244763 419745222 /nfs/dbraw/zinc/74/52/22/419745222.db2.gz GNFFQNGZQLLESX-UHFFFAOYSA-N 1 0 282.304 -0.482 20 5 CBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000358803709 419920989 /nfs/dbraw/zinc/92/09/89/419920989.db2.gz SUQBVWKZFYILGX-WDEREUQCSA-N 1 0 295.295 -0.058 20 5 CBBDRO C[C@@H](Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)[NH+](C)C ZINC000358865042 419925067 /nfs/dbraw/zinc/92/50/67/419925067.db2.gz YTPNLRQZVJHTNY-ZETCQYMHSA-N 1 0 268.273 -0.195 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359310413 419959085 /nfs/dbraw/zinc/95/90/85/419959085.db2.gz SBBYTNHPRQIGPH-DTORHVGOSA-N 1 0 251.290 -0.021 20 5 CBBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364934176 420050383 /nfs/dbraw/zinc/05/03/83/420050383.db2.gz JTMDTBDFLXIOIN-MXWKQRLJSA-N 1 0 271.317 -0.433 20 5 CBBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000364957976 420051069 /nfs/dbraw/zinc/05/10/69/420051069.db2.gz XTTKCESFIDAOPW-VIFPVBQESA-N 1 0 296.331 -0.140 20 5 CBBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)C1 ZINC000365334302 420061692 /nfs/dbraw/zinc/06/16/92/420061692.db2.gz ISIWMHYSQCINBC-XQQFMLRXSA-N 1 0 296.371 -0.110 20 5 CBBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000366935525 420097115 /nfs/dbraw/zinc/09/71/15/420097115.db2.gz SWRQYZBCIQJSNS-IUCAKERBSA-N 1 0 285.279 -0.050 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000368329352 420129010 /nfs/dbraw/zinc/12/90/10/420129010.db2.gz SJXBLWNFXBCRLH-LBPRGKRZSA-N 1 0 281.316 -0.192 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368379355 420130568 /nfs/dbraw/zinc/13/05/68/420130568.db2.gz UCPZQFMWLXGWNB-GXSJLCMTSA-N 1 0 292.295 -0.423 20 5 CBBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000419007286 420243277 /nfs/dbraw/zinc/24/32/77/420243277.db2.gz RICBERHOTZAWQF-IUCAKERBSA-N 1 0 296.331 -0.142 20 5 CBBDRO Cc1nc(NC[C@H]2C[NH2+]CCN2C)ncc1[N+](=O)[O-] ZINC000420272228 420250914 /nfs/dbraw/zinc/25/09/14/420250914.db2.gz LCKKTWSXMLYOBB-SECBINFHSA-N 1 0 266.305 0.009 20 5 CBBDRO Nc1nc(NC[C@@H]2CCCC[N@@H+]2CCO)ncc1[N+](=O)[O-] ZINC000450615655 420298841 /nfs/dbraw/zinc/29/88/41/420298841.db2.gz OOLHUMMAAGGWRS-VIFPVBQESA-N 1 0 296.331 -0.352 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000519647981 420383725 /nfs/dbraw/zinc/38/37/25/420383725.db2.gz FUMLBYGDZAIJFK-HBNTYKKESA-N 1 0 270.289 -0.345 20 5 CBBDRO C[NH+](C)CCn1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000548948876 420424634 /nfs/dbraw/zinc/42/46/34/420424634.db2.gz QYORNEXRHMXKCS-UHFFFAOYSA-N 1 0 293.287 0.328 20 5 CBBDRO Nc1nc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC000591439667 420478913 /nfs/dbraw/zinc/47/89/13/420478913.db2.gz XNYVNPXLMBRSHL-JGVFFNPUSA-N 1 0 264.289 0.155 20 5 CBBDRO Nc1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000609075043 420494409 /nfs/dbraw/zinc/49/44/09/420494409.db2.gz MWSUZMIZTRGYGX-KNVOCYPGSA-N 1 0 250.262 -0.377 20 5 CBBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000193661130 262225456 /nfs/dbraw/zinc/22/54/56/262225456.db2.gz FISIAIIDJGUWSL-CABZTGNLSA-N 1 0 294.311 -0.129 20 5 CBBDRO C[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532143570 269650662 /nfs/dbraw/zinc/65/06/62/269650662.db2.gz MTPGLQSFWCRUKE-UHFFFAOYSA-N 1 0 293.327 -0.033 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000358061444 277158687 /nfs/dbraw/zinc/15/86/87/277158687.db2.gz GIWFHEIXJADGGN-CYBMUJFWSA-N 1 0 294.311 -0.027 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244918 303662846 /nfs/dbraw/zinc/66/28/46/303662846.db2.gz JBOPYMBEZUPRMZ-SECBINFHSA-N 1 0 280.288 -0.461 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000563119218 327926793 /nfs/dbraw/zinc/92/67/93/327926793.db2.gz SQDBQYGAKVMTAO-QMSLJYSESA-N 1 0 265.273 -0.241 20 5 CBBDRO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000563732604 328497754 /nfs/dbraw/zinc/49/77/54/328497754.db2.gz MOUDWOZWOFEDCN-SSDOTTSWSA-N 1 0 298.303 -0.886 20 5 CBBDRO COC[C@@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC000564836476 327000114 /nfs/dbraw/zinc/00/01/14/327000114.db2.gz CRBWQCRPDFVPBD-GFCCVEGCSA-N 1 0 297.315 -0.466 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)CO)c1 ZINC000561383138 327390446 /nfs/dbraw/zinc/39/04/46/327390446.db2.gz WXPCMEXYDPEBBB-QWRGUYRKSA-N 1 0 286.284 -0.723 20 5 CBBDRO CCOC[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000563952469 328841348 /nfs/dbraw/zinc/84/13/48/328841348.db2.gz IOJQXEWZPHDFHP-SNVBAGLBSA-N 1 0 258.278 -0.222 20 5 CBBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000571679945 328851366 /nfs/dbraw/zinc/85/13/66/328851366.db2.gz XYQSJOGQVOQOSD-ZETCQYMHSA-N 1 0 269.261 -0.574 20 5 CBBDRO CC(C)C(=O)NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393161291 329084980 /nfs/dbraw/zinc/08/49/80/329084980.db2.gz LBMDTLQXPAJUFK-LLVKDONJSA-N 1 0 299.331 -0.486 20 5 CBBDRO [NH3+]CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(F)F ZINC000564995267 334533270 /nfs/dbraw/zinc/53/32/70/334533270.db2.gz LGPBFGJDUDBZKX-SSDOTTSWSA-N 1 0 277.231 -0.110 20 5 CBBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000565711009 334589533 /nfs/dbraw/zinc/58/95/33/334589533.db2.gz BTFDFDHDIKHAFU-ZETCQYMHSA-N 1 0 268.277 -0.557 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH2+]CC1 ZINC000568745580 334838649 /nfs/dbraw/zinc/83/86/49/334838649.db2.gz FIFKBDLZVYIVOR-UHFFFAOYSA-N 1 0 252.274 -0.338 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000569150769 334858265 /nfs/dbraw/zinc/85/82/65/334858265.db2.gz ISOWMEXDERZZPG-QWRGUYRKSA-N 1 0 297.315 -0.685 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000573114800 334909693 /nfs/dbraw/zinc/90/96/93/334909693.db2.gz QFPVLPQMCCXHKI-UHFFFAOYSA-N 1 0 296.283 -0.835 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000577494314 335359214 /nfs/dbraw/zinc/35/92/14/335359214.db2.gz NPTMWVLKZVUASU-ZCFIWIBFSA-N 1 0 290.230 -0.700 20 5 CBBDRO COC(=O)CC1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000581075713 336004752 /nfs/dbraw/zinc/00/47/52/336004752.db2.gz XLCVOEPBKYFXGX-JTQLQIEISA-N 1 0 298.299 -0.163 20 5 CBBDRO C[C@H]1[NH2+]CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1C ZINC000581370838 336063230 /nfs/dbraw/zinc/06/32/30/336063230.db2.gz DQTYQVICKUMNBV-NXEZZACHSA-N 1 0 294.311 -0.035 20 5 CBBDRO Cc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000581380853 336065831 /nfs/dbraw/zinc/06/58/31/336065831.db2.gz HGWCRSKCBLGCBF-RKDXNWHRSA-N 1 0 292.299 -0.559 20 5 CBBDRO COCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000212806555 523939253 /nfs/dbraw/zinc/93/92/53/523939253.db2.gz XAPUSUHXPDQULM-UHFFFAOYSA-N 1 0 256.262 -0.111 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)C2CC2)c1 ZINC000763068664 582319375 /nfs/dbraw/zinc/31/93/75/582319375.db2.gz MMQDUQBVIMXKKD-MNOVXSKESA-N 1 0 270.289 -0.487 20 5 CBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000776588661 582355539 /nfs/dbraw/zinc/35/55/39/582355539.db2.gz AJOVJWJPFDTTKD-SDDRHHMPSA-N 1 0 268.269 -0.334 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000808174865 582441942 /nfs/dbraw/zinc/44/19/42/582441942.db2.gz VZFGMIONOLOTNQ-MRVPVSSYSA-N 1 0 282.300 -0.171 20 5 CBBDRO CS(=O)(=O)CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000819176740 582528422 /nfs/dbraw/zinc/52/84/22/582528422.db2.gz MWFSPTPWUIMSJX-UHFFFAOYSA-N 1 0 262.291 -0.575 20 5 CBBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781247 583160016 /nfs/dbraw/zinc/16/00/16/583160016.db2.gz LBDLXEBSXWGHIB-HBNTYKKESA-N 1 0 271.317 -0.385 20 5 CBBDRO CNC(=O)[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843109840 583201903 /nfs/dbraw/zinc/20/19/03/583201903.db2.gz HFVUUXZECYCNJO-WDEREUQCSA-N 1 0 283.284 -0.675 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854467334 583604404 /nfs/dbraw/zinc/60/44/04/583604404.db2.gz FFXUPLLWXLPPOK-CMPLNLGQSA-N 1 0 297.311 -0.333 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854467336 583604706 /nfs/dbraw/zinc/60/47/06/583604706.db2.gz FFXUPLLWXLPPOK-PWSUYJOCSA-N 1 0 297.311 -0.333 20 5 CBBDRO C[NH2+]CCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000858610377 583699144 /nfs/dbraw/zinc/69/91/44/583699144.db2.gz CUXBBGUAPIWJOC-UHFFFAOYSA-N 1 0 277.306 -0.832 20 5 CBBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000859455261 583721118 /nfs/dbraw/zinc/72/11/18/583721118.db2.gz AJOVJWJPFDTTKD-WOPDTQHZSA-N 1 0 268.269 -0.334 20 5 CBBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000882486656 584318514 /nfs/dbraw/zinc/31/85/14/584318514.db2.gz UKVMTYQEZNTCCQ-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000891713897 584590804 /nfs/dbraw/zinc/59/08/04/584590804.db2.gz OTMWGTMRLNPGSB-UHFFFAOYSA-N 1 0 296.331 -0.462 20 5 CBBDRO CN(CC[N@H+](C)CCO)c1c([N+](=O)[O-])cnn1C ZINC000894592248 584661315 /nfs/dbraw/zinc/66/13/15/584661315.db2.gz RRLYOOIRJCOKRP-UHFFFAOYSA-N 1 0 257.294 -0.311 20 5 CBBDRO CCS(=O)(=O)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905023514 656334568 /nfs/dbraw/zinc/33/45/68/656334568.db2.gz ITLMVZNNEKKNHB-UHFFFAOYSA-N 1 0 265.335 -0.333 20 5 CBBDRO CCN1CC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000712614003 656210706 /nfs/dbraw/zinc/21/07/06/656210706.db2.gz JWIYMBFFTFYJQQ-PWSUYJOCSA-N 1 0 283.332 -0.164 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000911724010 657116201 /nfs/dbraw/zinc/11/62/01/657116201.db2.gz KGMVMGZBQUJJLS-QMMMGPOBSA-N 1 0 267.289 -0.080 20 5 CBBDRO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001020139325 658017503 /nfs/dbraw/zinc/01/75/03/658017503.db2.gz XKPBBTCOFPWROY-YJFSRANCSA-N 1 0 294.315 -0.783 20 5 CBBDRO C[NH2+][C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923278149 658187807 /nfs/dbraw/zinc/18/78/07/658187807.db2.gz PKYNDQYWSOAFOR-KOLCDFICSA-N 1 0 269.305 -0.554 20 5 CBBDRO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)[NH2+]1 ZINC000923285900 658193843 /nfs/dbraw/zinc/19/38/43/658193843.db2.gz HNSUHFXORFMARU-UMNHJUIQSA-N 1 0 283.332 -0.166 20 5 CBBDRO C[NH2+]C[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923295023 658195585 /nfs/dbraw/zinc/19/55/85/658195585.db2.gz QNDKWIONQJAMNW-CMPLNLGQSA-N 1 0 283.332 -0.164 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923410084 658267000 /nfs/dbraw/zinc/26/70/00/658267000.db2.gz FDGWHEFTOKSZPA-JFGNBEQYSA-N 1 0 281.316 -0.412 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000923417075 658268389 /nfs/dbraw/zinc/26/83/89/658268389.db2.gz ULYSHYMGTJWNCN-FRRDWIJNSA-N 1 0 295.343 -0.022 20 5 CBBDRO COc1nc(N2CCN3CC[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164393934 718828492 /nfs/dbraw/zinc/82/84/92/718828492.db2.gz XPKUFDAPEOMKHV-SECBINFHSA-N 1 0 294.315 -0.513 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399263 718836568 /nfs/dbraw/zinc/83/65/68/718836568.db2.gz RICFOFSNKMPSSO-LLVKDONJSA-N 1 0 293.327 -0.370 20 5 CBBDRO Cc1nc(N2CCN3CC[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164400200 718842800 /nfs/dbraw/zinc/84/28/00/718842800.db2.gz SDYJEYKVWJYHSP-JTQLQIEISA-N 1 0 278.316 -0.213 20 5 CBBDRO NC(=O)[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228681539 790435513 /nfs/dbraw/zinc/43/55/13/790435513.db2.gz IUXRARSVPVCQJO-VHSXEESVSA-N 1 0 269.257 -0.936 20 5 CBBDRO C[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304332687 790470445 /nfs/dbraw/zinc/47/04/45/790470445.db2.gz OFGQFOJJKOKJTP-LLVKDONJSA-N 1 0 269.305 -0.600 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@H](CO)C1 ZINC000687591237 790652262 /nfs/dbraw/zinc/65/22/62/790652262.db2.gz VHXYEQALXIIYKC-NSHDSACASA-N 1 0 283.332 -0.292 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC001117682794 812430622 /nfs/dbraw/zinc/43/06/22/812430622.db2.gz ICGRWMCOYHNZMN-NNYUYHANSA-N 1 0 282.300 -0.678 20 5 CBBDRO C[C@H](C[NH3+])NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117985658 812461345 /nfs/dbraw/zinc/46/13/45/812461345.db2.gz SSDCYJHGJSXNRU-MRVPVSSYSA-N 1 0 292.295 -0.100 20 5 CBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[NH+]1CCCC1 ZINC001322847100 803947881 /nfs/dbraw/zinc/94/78/81/803947881.db2.gz VBDRYDQNYIQAFX-UHFFFAOYSA-N 1 0 294.311 -0.032 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[C@H]1CCC[NH2+]1 ZINC001325825587 804319374 /nfs/dbraw/zinc/31/93/74/804319374.db2.gz FYXZICYDKHXZFZ-SECBINFHSA-N 1 0 282.304 -0.165 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC001151937573 815098253 /nfs/dbraw/zinc/09/82/53/815098253.db2.gz ZDWFAYHGBOYMAU-LBPRGKRZSA-N 1 0 299.331 -0.471 20 5 CBBDRO C[NH+](C)CC[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001154644257 815231704 /nfs/dbraw/zinc/23/17/04/815231704.db2.gz RGXDODRIQJPJSO-JTQLQIEISA-N 1 0 296.331 -0.014 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1cc(N)c([N+](=O)[O-])cn1 ZINC001154770091 815239849 /nfs/dbraw/zinc/23/98/49/815239849.db2.gz CDSKYAJHLMAESZ-UHFFFAOYSA-N 1 0 275.290 -0.703 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2[NH3+])n1 ZINC001155354249 815279832 /nfs/dbraw/zinc/27/98/32/815279832.db2.gz CIHMIDDLUYWPMX-POYBYMJQSA-N 1 0 282.256 -0.086 20 5 CBBDRO COc1nc(-n2c(C)ncc(C[NH3+])c2=N)ncc1[N+](=O)[O-] ZINC001156825398 815384344 /nfs/dbraw/zinc/38/43/44/815384344.db2.gz NOELZDRFYFDOLU-UHFFFAOYSA-N 1 0 291.271 -0.174 20 5 CBBDRO CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001093318246 810651836 /nfs/dbraw/zinc/65/18/36/810651836.db2.gz FAEHHNLYNKJTQT-GHMZBOCLSA-N 1 0 294.315 -0.564 20 5 CBBDRO COc1cc(C)nc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001156985341 815395302 /nfs/dbraw/zinc/39/53/02/815395302.db2.gz VRNGYYZTAJKBBT-UHFFFAOYSA-N 1 0 279.260 -0.216 20 5 CBBDRO [NH3+]CCc1nnn(-c2nc(Cl)ncc2[N+](=O)[O-])n1 ZINC001156985696 815395721 /nfs/dbraw/zinc/39/57/21/815395721.db2.gz KOJMFHCPDGJFDD-UHFFFAOYSA-N 1 0 270.640 -0.485 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2nnc(CC[NH3+])n2)n1 ZINC001156989423 815397141 /nfs/dbraw/zinc/39/71/41/815397141.db2.gz IPSIOFLPELOWAX-UHFFFAOYSA-N 1 0 293.243 -0.747 20 5 CBBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001157114739 815406253 /nfs/dbraw/zinc/40/62/53/815406253.db2.gz OMIXKSBWBIZTID-SECBINFHSA-N 1 0 284.272 -0.079 20 5 CBBDRO O=C(NCCC[NH2+]Cc1ncccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767831 815462788 /nfs/dbraw/zinc/46/27/88/815462788.db2.gz WRDKASAUXJAMQG-NXEZZACHSA-N 1 0 279.300 -0.262 20 5 CBBDRO Cn1nccc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760328 815463181 /nfs/dbraw/zinc/46/31/81/815463181.db2.gz BZVFNGCGTVZQQR-GHMZBOCLSA-N 1 0 281.316 -0.319 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001158074489 815500145 /nfs/dbraw/zinc/50/01/45/815500145.db2.gz CYIZVXXTDHXSDU-UHFFFAOYSA-N 1 0 266.177 -0.668 20 5 CBBDRO COC(=O)c1ccnc(-n2nnnc2C[NH3+])c1[N+](=O)[O-] ZINC001158076484 815501240 /nfs/dbraw/zinc/50/12/40/815501240.db2.gz CEVYBLNSYFWUFO-UHFFFAOYSA-N 1 0 279.216 -0.789 20 5 CBBDRO CCOc1nc(-n2nnnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001158077434 815502907 /nfs/dbraw/zinc/50/29/07/815502907.db2.gz PNHYUMYVHFOHRH-UHFFFAOYSA-N 1 0 265.233 -0.177 20 5 CBBDRO Nc1nc(-n2cncc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001158206525 815513814 /nfs/dbraw/zinc/51/38/14/815513814.db2.gz SYOBCKXGPSFHJL-SSDOTTSWSA-N 1 0 278.272 -0.380 20 5 CBBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118271016 812513948 /nfs/dbraw/zinc/51/39/48/812513948.db2.gz SXNCMJCLCRUKMV-BDAKNGLRSA-N 1 0 282.300 -0.002 20 5 CBBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118271018 812514073 /nfs/dbraw/zinc/51/40/73/812514073.db2.gz SXNCMJCLCRUKMV-IUCAKERBSA-N 1 0 282.300 -0.002 20 5 CBBDRO CC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC001118270176 812514218 /nfs/dbraw/zinc/51/42/18/812514218.db2.gz XCUCLIKIDWDLFC-BDAKNGLRSA-N 1 0 282.304 -0.228 20 5 CBBDRO C[NH+](C)CC[C@@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001118336960 812534390 /nfs/dbraw/zinc/53/43/90/812534390.db2.gz IDWOWXFNVVOSSA-SNVBAGLBSA-N 1 0 284.320 -0.814 20 5 CBBDRO CO[C@@H]1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])C[C@@H]1[NH3+] ZINC001158704193 815543742 /nfs/dbraw/zinc/54/37/42/815543742.db2.gz KUDORNZZVHFFJH-DTWKUNHWSA-N 1 0 254.246 -0.610 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001158704060 815543915 /nfs/dbraw/zinc/54/39/15/815543915.db2.gz JQTLJMUSZJGWJZ-VHSXEESVSA-N 1 0 296.283 -0.061 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](OC)[C@@H]([NH3+])C2)n1 ZINC001158705930 815544015 /nfs/dbraw/zinc/54/40/15/815544015.db2.gz ZFPQZGXTVRUHDJ-JGVFFNPUSA-N 1 0 283.288 -0.136 20 5 CBBDRO COc1ncnc(N2C[C@H]([NH3+])C3(COC3)C2)c1[N+](=O)[O-] ZINC001158761542 815545511 /nfs/dbraw/zinc/54/55/11/815545511.db2.gz CCLIWTCLLYZDBV-ZETCQYMHSA-N 1 0 281.272 -0.443 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@H]1COCC[NH2+]1 ZINC001159044126 815556137 /nfs/dbraw/zinc/55/61/37/815556137.db2.gz POAZMODEBTYJDY-ZETCQYMHSA-N 1 0 253.262 -0.028 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1cc(N)c([N+](=O)[O-])cn1 ZINC001159864126 815601371 /nfs/dbraw/zinc/60/13/71/815601371.db2.gz KTJMVSYLPJGNBQ-UHFFFAOYSA-N 1 0 283.288 -0.100 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1ncc([N+](=O)[O-])cc1N ZINC001159864443 815601644 /nfs/dbraw/zinc/60/16/44/815601644.db2.gz BXYHRRBMTWXNHY-UHFFFAOYSA-N 1 0 283.288 -0.100 20 5 CBBDRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936979 813696637 /nfs/dbraw/zinc/69/66/37/813696637.db2.gz ZQHXCNWUXUVHLX-NXEZZACHSA-N 1 0 286.332 -0.776 20 5 CBBDRO Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001126936229 813697313 /nfs/dbraw/zinc/69/73/13/813697313.db2.gz BWDYSWGTEVVWCJ-GHMZBOCLSA-N 1 0 279.300 -0.344 20 5 CBBDRO COc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc(OC)c1[N+](=O)[O-] ZINC001159676112 815585904 /nfs/dbraw/zinc/58/59/04/815585904.db2.gz FLLVEKYEXZOFEG-RNFRBKRXSA-N 1 0 299.287 -0.606 20 5 CBBDRO COc1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001159675118 815586165 /nfs/dbraw/zinc/58/61/65/815586165.db2.gz CCDIRQPIIWKDMQ-IONNQARKSA-N 1 0 268.273 -0.009 20 5 CBBDRO Nc1nc(N[C@H]2C[NH2+]C[C@H]2CO)ccc1[N+](=O)[O-] ZINC001159678622 815587297 /nfs/dbraw/zinc/58/72/97/815587297.db2.gz QODAWIXKWRFWJO-BQBZGAKWSA-N 1 0 253.262 -0.436 20 5 CBBDRO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001147350952 814889773 /nfs/dbraw/zinc/88/97/73/814889773.db2.gz DQDCNLOLHVOGJJ-WPRPVWTQSA-N 1 0 296.331 -0.318 20 5 CBBDRO [NH3+]CCN(CCNc1cccc([N+](=O)[O-])n1)N(O)N=O ZINC001161088077 815712814 /nfs/dbraw/zinc/71/28/14/815712814.db2.gz WJSUKBFBDGMMRP-UHFFFAOYSA-N 1 0 285.264 -0.050 20 5 CBBDRO COc1nc(-n2cc(C[NH3+])cnc2=N)ncc1[N+](=O)[O-] ZINC001161411687 815752164 /nfs/dbraw/zinc/75/21/64/815752164.db2.gz ZSLWAEAKGNTJQY-UHFFFAOYSA-N 1 0 277.244 -0.483 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1cccc2ncc([N+](=O)[O-])n21 ZINC001162133734 815805777 /nfs/dbraw/zinc/80/57/77/815805777.db2.gz DKYBSDZNMNIEAZ-UHFFFAOYSA-N 1 0 299.312 -0.033 20 5 CBBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC001162348201 815815168 /nfs/dbraw/zinc/81/51/68/815815168.db2.gz FXZBXUOQDQBJDV-VIFPVBQESA-N 1 0 297.315 -0.106 20 5 CBBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc1 ZINC001163134749 815860688 /nfs/dbraw/zinc/86/06/88/815860688.db2.gz DTAYAPLPUFUZKP-IWSPIJDZSA-N 1 0 251.246 -0.217 20 5 CBBDRO Nc1ccnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1[N+](=O)[O-] ZINC001163141339 815860737 /nfs/dbraw/zinc/86/07/37/815860737.db2.gz GWIBLCCKNHOZRG-FTLITQJKSA-N 1 0 265.273 -0.029 20 5 CBBDRO Cn1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc([N+](=O)[O-])c1=O ZINC001163141746 815860813 /nfs/dbraw/zinc/86/08/13/815860813.db2.gz VJDJNZCUCPNHHK-OPRDCNLKSA-N 1 0 280.284 -0.308 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1F ZINC001163191184 815864262 /nfs/dbraw/zinc/86/42/62/815864262.db2.gz HSTIWEDZAXVZMK-RDDDGLTNSA-N 1 0 284.247 -0.090 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cnc([N+](=O)[O-])cn2)N1 ZINC001163255480 815876488 /nfs/dbraw/zinc/87/64/88/815876488.db2.gz YTSPSBKTKAYXFC-LHLIQPBNSA-N 1 0 264.245 -0.625 20 5 CBBDRO Cc1nnc(C[NH3+])n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001163346645 815878843 /nfs/dbraw/zinc/87/88/43/815878843.db2.gz RPSANCLDXIAXKC-UHFFFAOYSA-N 1 0 250.218 -0.424 20 5 CBBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001292965773 816493174 /nfs/dbraw/zinc/49/31/74/816493174.db2.gz GCRNJOYHMXEHIU-GMTAPVOTSA-N 1 0 270.333 -0.596 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1N1CC([NH2+][C@H]2CCOC2)C1 ZINC001307217561 816799593 /nfs/dbraw/zinc/79/95/93/816799593.db2.gz NKGOGTOGWOLEPJ-QMMMGPOBSA-N 1 0 267.289 -0.105 20 5 CBBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001318350558 817101673 /nfs/dbraw/zinc/10/16/73/817101673.db2.gz HDODYJPGRREFOZ-SECBINFHSA-N 1 0 282.304 -0.356 20 5 CBBDRO O=C(NC1(C[NH2+]CCO)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001318633390 817128539 /nfs/dbraw/zinc/12/85/39/817128539.db2.gz VMNMEFUGJMYXMC-NXEZZACHSA-N 1 0 271.317 -0.338 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC001320513247 817348030 /nfs/dbraw/zinc/34/80/30/817348030.db2.gz JLWWVOXVBXFBLV-SNVBAGLBSA-N 1 0 269.261 -0.886 20 5 CBBDRO COc1nc(C)nc(N(CC[NH3+])CCO)c1[N+](=O)[O-] ZINC001163828459 819854099 /nfs/dbraw/zinc/85/40/99/819854099.db2.gz VZHAPLNFCZFBKN-UHFFFAOYSA-N 1 0 271.277 -0.541 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(N2CC([NH2+][C@H]3CCOC3)C2)n1 ZINC001164233850 819893187 /nfs/dbraw/zinc/89/31/87/819893187.db2.gz CGIGGBLETOVEFI-QMMMGPOBSA-N 1 0 267.289 -0.105 20 5 CBBDRO [NH3+][C@@H]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC001164279054 819896907 /nfs/dbraw/zinc/89/69/07/819896907.db2.gz MMJBOUNAHADRAN-SECBINFHSA-N 1 0 294.315 -0.241 20 5 CBBDRO CN(c1nccnc1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164287017 819898379 /nfs/dbraw/zinc/89/83/79/819898379.db2.gz HJYWAGLWHBYICH-UHFFFAOYSA-N 1 0 261.263 -0.891 20 5 CBBDRO Cc1c[n+]([O-])c(N(C)S(=O)(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC001164287846 819900071 /nfs/dbraw/zinc/90/00/71/819900071.db2.gz XAUYWKGWUIZJBA-UHFFFAOYSA-N 1 0 290.301 -0.739 20 5 CBBDRO COc1nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)ncc1[N+](=O)[O-] ZINC001165281172 819947012 /nfs/dbraw/zinc/94/70/12/819947012.db2.gz GYVCQYYYWKEEDW-PELKAZGASA-N 1 0 295.299 -0.589 20 5 CBBDRO Cc1nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)ncc1[N+](=O)[O-] ZINC001165283830 819948278 /nfs/dbraw/zinc/94/82/78/819948278.db2.gz FSXBGGRLGIJRBR-SKDRFNHKSA-N 1 0 279.300 -0.289 20 5 CBBDRO COc1nc(N2C[C@@H]3C[C@]3([NH3+])C2)ncc1[N+](=O)[O-] ZINC001165313730 819956220 /nfs/dbraw/zinc/95/62/20/819956220.db2.gz NWIJBBGMXASLIS-WKEGUHRASA-N 1 0 251.246 -0.069 20 5 CBBDRO CC(=O)OC1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001166647438 820012426 /nfs/dbraw/zinc/01/24/26/820012426.db2.gz OFANBBFMPCBDMY-UHFFFAOYSA-N 1 0 293.283 -0.177 20 5 CBBDRO COc1nc(N(C)C2C[NH2+]C2)nc(OC)c1[N+](=O)[O-] ZINC001166977592 820059845 /nfs/dbraw/zinc/05/98/45/820059845.db2.gz ANTPTXYFEJZALW-UHFFFAOYSA-N 1 0 269.261 -0.190 20 5 CBBDRO Cn1cc(-n2ccc(CC[NH3+])n2)cc([N+](=O)[O-])c1=O ZINC001167729319 820112980 /nfs/dbraw/zinc/11/29/80/820112980.db2.gz GLTDCGXZUYTPTB-UHFFFAOYSA-N 1 0 263.257 -0.020 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1-n1nnc(CC[NH3+])n1 ZINC001167788008 820116254 /nfs/dbraw/zinc/11/62/54/820116254.db2.gz LZHKYHQODLIQPR-UHFFFAOYSA-N 1 0 265.233 -0.525 20 5 CBBDRO [NH3+]CCc1nnn(-c2ccc3ncc([N+](=O)[O-])n3c2)n1 ZINC001167791054 820119339 /nfs/dbraw/zinc/11/93/39/820119339.db2.gz PSKJMTSEHXGNNT-UHFFFAOYSA-N 1 0 274.244 -0.281 20 5 CBBDRO CNc1cc([N+](=O)[O-])cnc1-n1nnc(CC[NH3+])n1 ZINC001167790968 820119583 /nfs/dbraw/zinc/11/95/83/820119583.db2.gz FXCOJVVXOCTMDY-UHFFFAOYSA-N 1 0 264.249 -0.492 20 5 CBBDRO [NH3+]Cc1nc(=O)[n-]n1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168761782 820180251 /nfs/dbraw/zinc/18/02/51/820180251.db2.gz VVPAJSMUCIGYSK-UHFFFAOYSA-N 1 0 276.256 -0.057 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965019 820197137 /nfs/dbraw/zinc/19/71/37/820197137.db2.gz XHUYFGVQBPLPNN-IUCAKERBSA-N 1 0 265.335 -0.348 20 5 CBBDRO [NH3+]Cc1nnnn1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001168920472 820191746 /nfs/dbraw/zinc/19/17/46/820191746.db2.gz SPJUMTQOEPVURA-UHFFFAOYSA-N 1 0 260.217 -0.323 20 5 CBBDRO Cc1c(F)cnc(-n2nnnc2C[NH3+])c1[N+](=O)[O-] ZINC001168919051 820191790 /nfs/dbraw/zinc/19/17/90/820191790.db2.gz SVOMYTSYXDYVCM-UHFFFAOYSA-N 1 0 253.197 -0.128 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1nnnc1C[NH3+] ZINC001168923115 820192471 /nfs/dbraw/zinc/19/24/71/820192471.db2.gz FIVHGBLAUPXRQP-UHFFFAOYSA-N 1 0 279.216 -0.789 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001168924180 820194810 /nfs/dbraw/zinc/19/48/10/820194810.db2.gz KHGSUPPERGJDEE-UHFFFAOYSA-N 1 0 260.217 -0.095 20 5 CBBDRO CS(=O)(=O)N1CC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168970868 820198035 /nfs/dbraw/zinc/19/80/35/820198035.db2.gz JBAKZKPCNZCATL-RKDXNWHRSA-N 1 0 277.346 -0.335 20 5 CBBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCOCC1 ZINC001168966290 820198083 /nfs/dbraw/zinc/19/80/83/820198083.db2.gz HNPNBFLRJADWJX-QWRGUYRKSA-N 1 0 271.317 -0.120 20 5 CBBDRO O=C1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C(=O)N1 ZINC001168975991 820199086 /nfs/dbraw/zinc/19/90/86/820199086.db2.gz YDMXYYUBJUGJAZ-HLTSFMKQSA-N 1 0 255.274 -0.173 20 5 CBBDRO O=C1CO[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1 ZINC001168977036 820199093 /nfs/dbraw/zinc/19/90/93/820199093.db2.gz HDVYWOXJBNXOON-OPRDCNLKSA-N 1 0 257.290 -0.464 20 5 CBBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cnc([N+](=O)[O-])cn1 ZINC001169075402 820205598 /nfs/dbraw/zinc/20/55/98/820205598.db2.gz RBKMOUDZSAFALJ-SSDOTTSWSA-N 1 0 264.245 -0.567 20 5 CBBDRO CN(CC[NH3+])CCNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001170502865 820296090 /nfs/dbraw/zinc/29/60/90/820296090.db2.gz RFSIRCSAYRHZIO-UHFFFAOYSA-N 1 0 279.304 -0.060 20 5 CBBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@@H]1C[NH2+]CCO1 ZINC001170565222 820307310 /nfs/dbraw/zinc/30/73/10/820307310.db2.gz UKCPESCBKXOZME-XCBNKYQSSA-N 1 0 295.299 -0.123 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170774039 820317750 /nfs/dbraw/zinc/31/77/50/820317750.db2.gz KWHPYHQBKIRZGJ-OIBJUYFYSA-N 1 0 296.283 -0.231 20 5 CBBDRO NC(=O)c1nc(N[C@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001170773690 820318069 /nfs/dbraw/zinc/31/80/69/820318069.db2.gz PCZMWECLVBWRCH-RQJHMYQMSA-N 1 0 281.272 -0.919 20 5 CBBDRO COc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)nc(C)c1[N+](=O)[O-] ZINC001170778473 820320366 /nfs/dbraw/zinc/32/03/66/820320366.db2.gz UKVYYNLBMUTULP-JGVFFNPUSA-N 1 0 283.288 -0.306 20 5 CBBDRO COc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)nc(C)c1[N+](=O)[O-] ZINC001170778474 820320883 /nfs/dbraw/zinc/32/08/83/820320883.db2.gz UKVYYNLBMUTULP-SFYZADRCSA-N 1 0 283.288 -0.306 20 5 CBBDRO COc1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001170779289 820321376 /nfs/dbraw/zinc/32/13/76/820321376.db2.gz XIUWVBOJXJDQQJ-JGVFFNPUSA-N 1 0 268.273 -0.009 20 5 CBBDRO Nc1ccnc(N[C@@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170780497 820322320 /nfs/dbraw/zinc/32/23/20/820322320.db2.gz UIIUQKWHVXHRID-POYBYMJQSA-N 1 0 253.262 -0.436 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170782273 820324251 /nfs/dbraw/zinc/32/42/51/820324251.db2.gz UPBLADGIBVEVOP-OIBJUYFYSA-N 1 0 268.273 -0.009 20 5 CBBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NCC(N)=O ZINC001173230616 820400900 /nfs/dbraw/zinc/40/09/00/820400900.db2.gz SDYCIBGQGKSKBS-SECBINFHSA-N 1 0 294.311 -0.283 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCO)CC1 ZINC001205230908 824376370 /nfs/dbraw/zinc/37/63/70/824376370.db2.gz YAEQPWMILMLRKH-GHMZBOCLSA-N 1 0 271.317 -0.528 20 5 CBBDRO C[C@@H](C[N+](C)(C)C)OCC(=O)N1CCN(C)CC1 ZINC001222542421 825216578 /nfs/dbraw/zinc/21/65/78/825216578.db2.gz DAXABZFJBHGWOM-LBPRGKRZSA-N 1 0 258.386 -0.128 20 5 CBBDRO COC(=O)/C=C/COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224491638 825240728 /nfs/dbraw/zinc/24/07/28/825240728.db2.gz CJEPWEYQIFJGFP-BRAIEQGRSA-N 1 0 260.310 -0.284 20 5 CBBDRO CON(C)C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224787781 825247413 /nfs/dbraw/zinc/24/74/13/825247413.db2.gz XODYKGCYHIMCPO-SECBINFHSA-N 1 0 263.314 -0.993 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCn1nccn1 ZINC001225039192 825253669 /nfs/dbraw/zinc/25/36/69/825253669.db2.gz BRCBSMFCOJRMQR-SNVBAGLBSA-N 1 0 257.314 -0.722 20 5 CBBDRO Cc1cnc(=O)[nH]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226326763 825276483 /nfs/dbraw/zinc/27/64/83/825276483.db2.gz OHPOOIKIOQMUHN-SECBINFHSA-O 1 0 270.309 -0.147 20 5 CBBDRO Cc1nnc(=O)[nH]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226460992 825279378 /nfs/dbraw/zinc/27/93/78/825279378.db2.gz JCLIREPDGZYDAM-MRVPVSSYSA-O 1 0 271.297 -0.752 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)cc(C(N)=O)c1 ZINC001228267990 825313863 /nfs/dbraw/zinc/31/38/63/825313863.db2.gz VVAVYEKQCVXSQM-LLVKDONJSA-O 1 0 297.331 -0.146 20 5 CBBDRO C[C@H](C[N+](C)(C)C)Oc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001229704947 825335891 /nfs/dbraw/zinc/33/58/91/825335891.db2.gz NUIVFAWUHABTOK-MRVPVSSYSA-O 1 0 296.351 -0.566 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(O)c1C(N)=O ZINC001234149264 825451949 /nfs/dbraw/zinc/45/19/49/825451949.db2.gz NFYPMRKDBZTYIT-SECBINFHSA-O 1 0 297.331 -0.146 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246857205 825722683 /nfs/dbraw/zinc/72/26/83/825722683.db2.gz LRQWMLSLTUUOFM-VWYCJHECSA-N 1 0 271.317 -0.121 20 5 CBBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C(N)=O ZINC001254540134 825966009 /nfs/dbraw/zinc/96/60/09/825966009.db2.gz OWJYAWYKRMKMQS-WPRPVWTQSA-N 1 0 267.285 -0.038 20 5 CBBDRO NC(=O)C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254589407 825967295 /nfs/dbraw/zinc/96/72/95/825967295.db2.gz OEGMOGSOCYKNKV-KOLCDFICSA-N 1 0 292.295 -0.619 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001261464696 826519059 /nfs/dbraw/zinc/51/90/59/826519059.db2.gz WXMVNVAHCNJOSB-SSDOTTSWSA-N 1 0 253.262 -0.190 20 5 CBBDRO C[NH2+]C[C@H](C)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001261492242 826524181 /nfs/dbraw/zinc/52/41/81/826524181.db2.gz WDSOPMOULARPHK-ZETCQYMHSA-N 1 0 256.266 -0.842 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001261495672 826525663 /nfs/dbraw/zinc/52/56/63/826525663.db2.gz POFICBQBNWSCDI-VIFPVBQESA-N 1 0 294.315 -0.023 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001261495671 826525920 /nfs/dbraw/zinc/52/59/20/826525920.db2.gz POFICBQBNWSCDI-SECBINFHSA-N 1 0 294.315 -0.023 20 5 CBBDRO C[NH2+]C[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001261645826 826555710 /nfs/dbraw/zinc/55/57/10/826555710.db2.gz PNCWQHABSWRIAB-ZCFIWIBFSA-N 1 0 255.278 -0.026 20 5 CBBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001261818837 826586742 /nfs/dbraw/zinc/58/67/42/826586742.db2.gz JDFYHPIHNGKGGK-BDAKNGLRSA-N 1 0 295.299 -0.401 20 5 CBBDRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]CC[N+](=O)[O-])C2 ZINC001262489704 826694733 /nfs/dbraw/zinc/69/47/33/826694733.db2.gz GPYUPMXBTAIIKY-JTQLQIEISA-N 1 0 268.317 -0.093 20 5 CBBDRO COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001264420002 826809756 /nfs/dbraw/zinc/80/97/56/826809756.db2.gz LQUMSUPAPSHEOR-GWOFURMSSA-N 1 0 271.317 -0.218 20 5 CBBDRO C[C@H](CCC[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001327121769 885264833 /nfs/dbraw/zinc/26/48/33/885264833.db2.gz RBOLYYKSTPDXLD-SSDOTTSWSA-N 1 0 256.266 -0.570 20 5 CBBDRO C[NH2+]C[C@@H](C)c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC001332358351 887225157 /nfs/dbraw/zinc/22/51/57/887225157.db2.gz ICMPLYSGXOZVHJ-ZCFIWIBFSA-N 1 0 267.249 -0.060 20 5 CBBDRO Cc1nn(CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001345780214 890164953 /nfs/dbraw/zinc/16/49/53/890164953.db2.gz BNAAMRNNJIXUDW-UHFFFAOYSA-N 1 0 253.262 -0.468 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]C/C=C/Cl ZINC001326022074 884876077 /nfs/dbraw/zinc/87/60/77/884876077.db2.gz IUXGOCJRVDODLZ-UFLMBTITSA-N 1 0 291.735 -0.185 20 5 CBBDRO C[NH2+][C@@H](C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001326276813 884969743 /nfs/dbraw/zinc/96/97/43/884969743.db2.gz YLSQOLLUSNOYHD-VIFPVBQESA-N 1 0 282.300 -0.129 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001326305262 884978869 /nfs/dbraw/zinc/97/88/69/884978869.db2.gz DQLSDHWGYPXOSU-RKDXNWHRSA-N 1 0 280.288 -0.603 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001326305259 884982538 /nfs/dbraw/zinc/98/25/38/884982538.db2.gz DQLSDHWGYPXOSU-BDAKNGLRSA-N 1 0 280.288 -0.603 20 5 CBBDRO CNC(=O)[C@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326503826 885047646 /nfs/dbraw/zinc/04/76/46/885047646.db2.gz WDZAYSNVSMJLRD-WDEREUQCSA-N 1 0 283.284 -0.675 20 5 CBBDRO Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001326899161 885189327 /nfs/dbraw/zinc/18/93/27/885189327.db2.gz MHDLNUYKDUCTKI-JIGDXULJSA-N 1 0 265.273 -0.416 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001327061008 885240063 /nfs/dbraw/zinc/24/00/63/885240063.db2.gz XDKUPXDJSJZOGB-SSDOTTSWSA-N 1 0 253.262 -0.190 20 5 CBBDRO CCOC(=O)[C@H]1C[NH2+]CCN1CCn1cc([N+](=O)[O-])cn1 ZINC001327205286 885283857 /nfs/dbraw/zinc/28/38/57/885283857.db2.gz CGXCJAGOTDXYLY-LLVKDONJSA-N 1 0 297.315 -0.372 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCC([NH3+])CC1 ZINC001328462319 885696270 /nfs/dbraw/zinc/69/62/70/885696270.db2.gz MRLPPQMKTRXLTD-UHFFFAOYSA-N 1 0 282.304 -0.085 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC1C[NH2+]C1 ZINC001328504091 885709769 /nfs/dbraw/zinc/70/97/69/885709769.db2.gz FHEIPZJCFJQVBP-UHFFFAOYSA-N 1 0 253.262 -0.483 20 5 CBBDRO [NH3+]C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1 ZINC001328521615 885716840 /nfs/dbraw/zinc/71/68/40/885716840.db2.gz CYLXMAHQHDERQE-UHFFFAOYSA-N 1 0 280.284 -0.246 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCC[NH2+]1 ZINC001329118293 885938740 /nfs/dbraw/zinc/93/87/40/885938740.db2.gz MZNJRDQXNOAPLF-SSDOTTSWSA-N 1 0 254.250 -0.946 20 5 CBBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001329595595 886138512 /nfs/dbraw/zinc/13/85/12/886138512.db2.gz HFEQSBWSYOANKC-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC001331470769 886815202 /nfs/dbraw/zinc/81/52/02/886815202.db2.gz TWUWDLKGZSHMDG-LBPRGKRZSA-N 1 0 299.331 -0.239 20 5 CBBDRO [NH3+]CC1(O)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001332283966 887184225 /nfs/dbraw/zinc/18/42/25/887184225.db2.gz YCLZVYPLCGUQFW-UHFFFAOYSA-N 1 0 297.315 -0.506 20 5 CBBDRO O=[N+]([O-])CCN1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001333015855 887502980 /nfs/dbraw/zinc/50/29/80/887502980.db2.gz DCRANESWJYNRRY-JTQLQIEISA-N 1 0 277.346 -0.237 20 5 CBBDRO C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](CO)C1 ZINC001333040293 887508183 /nfs/dbraw/zinc/50/81/83/887508183.db2.gz XCAHIHXAFXXVQH-JTQLQIEISA-N 1 0 269.305 -0.600 20 5 CBBDRO O=C1CC2(CCOCC2)[N@H+](CC[N+](=O)[O-])CCN1 ZINC001336186381 888713654 /nfs/dbraw/zinc/71/36/54/888713654.db2.gz LMFHHCAAYVCIBT-UHFFFAOYSA-N 1 0 257.290 -0.366 20 5 CBBDRO NC(=O)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001342950619 889848687 /nfs/dbraw/zinc/84/86/87/889848687.db2.gz HUMOCJYRKUUCJU-SECBINFHSA-N 1 0 267.289 -0.011 20 5 CBBDRO C[NH+](C)CC1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001347795989 890520238 /nfs/dbraw/zinc/52/02/38/890520238.db2.gz VNEWUHFKPUTSIJ-UHFFFAOYSA-N 1 0 253.262 -0.049 20 5 CBBDRO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001356369092 891750817 /nfs/dbraw/zinc/75/08/17/891750817.db2.gz GVBANKMMJMWPMX-IWIIMEHWSA-N 1 0 292.295 -0.567 20 5 CBBDRO C[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC001455778106 914407999 /nfs/dbraw/zinc/40/79/99/914407999.db2.gz BYOSXZBAUVUPNM-UHFFFAOYSA-N 1 0 257.246 -0.158 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[N@H+](C)CCO ZINC001470572180 915505777 /nfs/dbraw/zinc/50/57/77/915505777.db2.gz UIVGNXUBOYYGEQ-UHFFFAOYSA-N 1 0 299.331 -0.518 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001473538950 915832174 /nfs/dbraw/zinc/83/21/74/915832174.db2.gz ZVCKJVAZXZSONQ-MWLCHTKSSA-N 1 0 283.284 -0.959 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCF)CC1 ZINC001484953802 917971720 /nfs/dbraw/zinc/97/17/20/917971720.db2.gz ZQVKOGAAMNBFAD-NXEZZACHSA-N 1 0 289.307 -0.436 20 5 CBBDRO CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497584128 920343797 /nfs/dbraw/zinc/34/37/97/920343797.db2.gz OKROWMSVGDPSQN-ANDSXOESSA-N 1 0 298.343 -0.562 20 5 CBBDRO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524120454 922620353 /nfs/dbraw/zinc/62/03/53/922620353.db2.gz VPHCULBSIFBSMW-IAZYJMLFSA-N 1 0 279.300 -0.142 20 5 CBBDRO C[NH+](C)CC(C)(C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001535144251 923182014 /nfs/dbraw/zinc/18/20/14/923182014.db2.gz LFMODNSSOOCXFC-UHFFFAOYSA-N 1 0 270.293 -0.357 20 5 CBBDRO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001544139077 923301311 /nfs/dbraw/zinc/30/13/11/923301311.db2.gz JHNYCYIFKPTNEV-WPRPVWTQSA-N 1 0 296.331 -0.318 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337457348 214092990 /nfs/dbraw/zinc/09/29/90/214092990.db2.gz NQSWPRKNMOUYBC-GFCCVEGCSA-N 1 0 299.331 -0.471 20 5 CBBDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000218121302 282727354 /nfs/dbraw/zinc/72/73/54/282727354.db2.gz FBIYHZPJTDUSHV-SNVBAGLBSA-N 1 0 285.304 -0.780 20 5 CBBDRO CCN(C)C(=O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000218121389 282727412 /nfs/dbraw/zinc/72/74/12/282727412.db2.gz FBIYHZPJTDUSHV-JTQLQIEISA-N 1 0 285.304 -0.780 20 5 CBBDRO CC[N@H+](C[C@@H](C)O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352233367 219376840 /nfs/dbraw/zinc/37/68/40/219376840.db2.gz YDVRWVYYOVPLSP-KOLCDFICSA-N 1 0 272.305 -0.145 20 5 CBBDRO C[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835086 351421324 /nfs/dbraw/zinc/42/13/24/351421324.db2.gz CGMNCMIMVIVJOF-VIFPVBQESA-N 1 0 279.300 -0.014 20 5 CBBDRO C[NH+](C)C(C)(C)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048771201 351479462 /nfs/dbraw/zinc/47/94/62/351479462.db2.gz JAFCBWKJDFSDNA-UHFFFAOYSA-N 1 0 270.293 -0.357 20 5 CBBDRO CN(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000061996154 351573550 /nfs/dbraw/zinc/57/35/50/351573550.db2.gz XDXLECAZJBEGQN-LBPRGKRZSA-N 1 0 283.332 -0.164 20 5 CBBDRO Cn1nccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000071333773 351642874 /nfs/dbraw/zinc/64/28/74/351642874.db2.gz FEWPFBQTLIZMTN-NSHDSACASA-N 1 0 280.288 -0.325 20 5 CBBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000071149486 351643148 /nfs/dbraw/zinc/64/31/48/351643148.db2.gz UFSPSZSTQZAWOP-UHFFFAOYSA-N 1 0 295.343 -0.090 20 5 CBBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081035495 351702706 /nfs/dbraw/zinc/70/27/06/351702706.db2.gz UDBMVQSVNDNUIZ-RYUDHWBXSA-N 1 0 283.328 -0.025 20 5 CBBDRO NC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075618500 351668722 /nfs/dbraw/zinc/66/87/22/351668722.db2.gz JOPJPZIPFSHDCK-NXEZZACHSA-N 1 0 283.288 -0.898 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)c1 ZINC000089169413 351729045 /nfs/dbraw/zinc/72/90/45/351729045.db2.gz PXTCBVFGPCKQMO-JLLWLGSASA-N 1 0 284.316 -0.097 20 5 CBBDRO COc1ccc(S(=O)(=O)NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090289294 351740038 /nfs/dbraw/zinc/74/00/38/351740038.db2.gz QFDUTGZPBYUKLP-UHFFFAOYSA-N 1 0 287.297 -0.147 20 5 CBBDRO CNC(=O)[C@H](C)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000081580083 351708769 /nfs/dbraw/zinc/70/87/69/351708769.db2.gz QQBJQCRHYZULCL-KOLCDFICSA-N 1 0 299.331 -0.534 20 5 CBBDRO [NH3+][C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000137343832 351922913 /nfs/dbraw/zinc/92/29/13/351922913.db2.gz HZQZMUZNDPDXOZ-JTQLQIEISA-N 1 0 280.284 -0.390 20 5 CBBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000150755175 351930808 /nfs/dbraw/zinc/93/08/08/351930808.db2.gz OUBWGIAFGWRTPN-NEPJUHHUSA-N 1 0 294.311 -0.154 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCOC2)c1 ZINC000131563707 351887897 /nfs/dbraw/zinc/88/78/97/351887897.db2.gz KGSWCONSTOOJOI-WPRPVWTQSA-N 1 0 256.262 -0.469 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCOC2)c1 ZINC000131563276 351887918 /nfs/dbraw/zinc/88/79/18/351887918.db2.gz KGSWCONSTOOJOI-SCZZXKLOSA-N 1 0 256.262 -0.469 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000134252807 351904421 /nfs/dbraw/zinc/90/44/21/351904421.db2.gz CSIBFVWZGBGGMT-VIFPVBQESA-N 1 0 268.273 -0.349 20 5 CBBDRO CC[C@H](CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134393127 351905651 /nfs/dbraw/zinc/90/56/51/351905651.db2.gz XPJKEZZCBWIREF-KOLCDFICSA-N 1 0 272.305 -0.097 20 5 CBBDRO O=C(NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000135432747 351914402 /nfs/dbraw/zinc/91/44/02/351914402.db2.gz FJZHCEQDXWVCPU-NSHDSACASA-N 1 0 297.315 -0.732 20 5 CBBDRO NC(=O)[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176231477 352063695 /nfs/dbraw/zinc/06/36/95/352063695.db2.gz BQYFXURMNYJGAA-MRVPVSSYSA-N 1 0 253.262 -0.259 20 5 CBBDRO CC(C)(CC(N)=O)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000186210469 352125863 /nfs/dbraw/zinc/12/58/63/352125863.db2.gz QGKVKOOMSVLLKO-SECBINFHSA-N 1 0 285.304 -0.604 20 5 CBBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000185196980 352117514 /nfs/dbraw/zinc/11/75/14/352117514.db2.gz YIWORVQUTBKBER-IVZWLZJFSA-N 1 0 279.300 -0.013 20 5 CBBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000193570196 352206352 /nfs/dbraw/zinc/20/63/52/352206352.db2.gz PIXGFPIMSZSDMY-SCZZXKLOSA-N 1 0 267.289 -0.095 20 5 CBBDRO CO[C@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000224205332 352246342 /nfs/dbraw/zinc/24/63/42/352246342.db2.gz BATXTIORLAMSPX-PSASIEDQSA-N 1 0 258.278 -0.223 20 5 CBBDRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000231849565 352278399 /nfs/dbraw/zinc/27/83/99/352278399.db2.gz HVSMZXRAPYCNQJ-GXSJLCMTSA-N 1 0 299.331 -0.391 20 5 CBBDRO CC(C)[C@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000236752465 352293229 /nfs/dbraw/zinc/29/32/29/352293229.db2.gz RGKVJIUYUFWUCH-VIFPVBQESA-N 1 0 255.278 -0.109 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237576680 352307165 /nfs/dbraw/zinc/30/71/65/352307165.db2.gz PULNNSSFBWOMFN-SECBINFHSA-N 1 0 267.289 -0.047 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CC[NH2+]CC1 ZINC000238090355 352314037 /nfs/dbraw/zinc/31/40/37/352314037.db2.gz PGVREVKVYPZXCC-UHFFFAOYSA-N 1 0 296.331 -0.797 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000248392960 352351732 /nfs/dbraw/zinc/35/17/32/352351732.db2.gz LJWMXKDUIBZBJP-DTWKUNHWSA-N 1 0 256.262 -0.781 20 5 CBBDRO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000246650035 352336293 /nfs/dbraw/zinc/33/62/93/352336293.db2.gz DBILEVYEHUGMJI-MWLCHTKSSA-N 1 0 270.289 -0.127 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)c1 ZINC000250777622 352374428 /nfs/dbraw/zinc/37/44/28/352374428.db2.gz PXTCBVFGPCKQMO-MVWJERBFSA-N 1 0 284.316 -0.097 20 5 CBBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000248910814 352357280 /nfs/dbraw/zinc/35/72/80/352357280.db2.gz IXPSBSOCJWHIOH-YUSALJHKSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@H]1C[NH2+]CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000262055715 352405014 /nfs/dbraw/zinc/40/50/14/352405014.db2.gz XFZHQKXDUMTESF-ZETCQYMHSA-N 1 0 254.250 -0.993 20 5 CBBDRO CC[C@H](CO)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000266194092 352447703 /nfs/dbraw/zinc/44/77/03/352447703.db2.gz HHTRJDCWBXAQQS-SECBINFHSA-N 1 0 296.331 -0.140 20 5 CBBDRO COCCN(CC[NH+](C)C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270804976 352501609 /nfs/dbraw/zinc/50/16/09/352501609.db2.gz OKVXLTDMMSKDRG-UHFFFAOYSA-N 1 0 285.304 -0.032 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000290075371 352671226 /nfs/dbraw/zinc/67/12/26/352671226.db2.gz WFRAYBXOCGDQKK-SECBINFHSA-N 1 0 267.289 -0.093 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1O ZINC000286580534 352646976 /nfs/dbraw/zinc/64/69/76/352646976.db2.gz QEMYBLCNIUGYTB-IJLUTSLNSA-N 1 0 284.316 -0.003 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290174817 352672695 /nfs/dbraw/zinc/67/26/95/352672695.db2.gz PDAGJSKNLJJDAW-NXEZZACHSA-N 1 0 279.300 -0.141 20 5 CBBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299638487 352727192 /nfs/dbraw/zinc/72/71/92/352727192.db2.gz PORPISRRUKGEKZ-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2COCCOC2)c1 ZINC000313533005 352777460 /nfs/dbraw/zinc/77/74/60/352777460.db2.gz NCERFZVKARVOKT-NSHDSACASA-N 1 0 286.288 -0.843 20 5 CBBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330574785 352850937 /nfs/dbraw/zinc/85/09/37/352850937.db2.gz LJDXSNVRDKOXAP-VIFPVBQESA-N 1 0 282.304 -0.213 20 5 CBBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330574784 352851212 /nfs/dbraw/zinc/85/12/12/352851212.db2.gz LJDXSNVRDKOXAP-SECBINFHSA-N 1 0 282.304 -0.213 20 5 CBBDRO NC(=O)N[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330517128 352837697 /nfs/dbraw/zinc/83/76/97/352837697.db2.gz IWJXTHBJGIPYGO-QMMMGPOBSA-N 1 0 268.277 -0.052 20 5 CBBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330539961 352843429 /nfs/dbraw/zinc/84/34/29/352843429.db2.gz ZCEGWAOFPPRPDQ-MRVPVSSYSA-N 1 0 268.277 -0.651 20 5 CBBDRO C[NH+](C)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 ZINC000331517721 352921894 /nfs/dbraw/zinc/92/18/94/352921894.db2.gz QOTAZQMJHNFPJS-UHFFFAOYSA-N 1 0 282.304 -0.213 20 5 CBBDRO C[C@@H]1C[N@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256445 352897583 /nfs/dbraw/zinc/89/75/83/352897583.db2.gz WKMZPVSXSYSIOG-PWSUYJOCSA-N 1 0 283.332 -0.212 20 5 CBBDRO CC[NH+](CC)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000336930763 353066737 /nfs/dbraw/zinc/06/67/37/353066737.db2.gz BHVWGYNQGMBPRX-UHFFFAOYSA-N 1 0 270.293 -0.356 20 5 CBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000340948707 353193934 /nfs/dbraw/zinc/19/39/34/353193934.db2.gz GCEFGOSXDSRQLB-SECBINFHSA-N 1 0 298.303 -0.977 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000155010694 188176409 /nfs/dbraw/zinc/17/64/09/188176409.db2.gz YIIYDRNPVXPTFP-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[C@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCC[N@@H+]1C ZINC000343565593 353279100 /nfs/dbraw/zinc/27/91/00/353279100.db2.gz RUSZWJHHLGXTAD-DTWKUNHWSA-N 1 0 282.304 -0.215 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345426664 353329945 /nfs/dbraw/zinc/32/99/45/353329945.db2.gz KVUMURIQOUXDGG-UHFFFAOYSA-N 1 0 285.304 -0.364 20 5 CBBDRO C[NH+](C)CCOCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000345947566 353356521 /nfs/dbraw/zinc/35/65/21/353356521.db2.gz DFPQXCGMZAUAJG-UHFFFAOYSA-N 1 0 271.277 -0.374 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000228747111 137673841 /nfs/dbraw/zinc/67/38/41/137673841.db2.gz MIXSHMBGJAHROT-NSHDSACASA-N 1 0 270.289 -0.035 20 5 CBBDRO [NH3+][C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000157741483 188335833 /nfs/dbraw/zinc/33/58/33/188335833.db2.gz SWIXFCVWTUMONO-QMMMGPOBSA-N 1 0 253.262 -0.259 20 5 CBBDRO [NH3+][C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000158452336 188377097 /nfs/dbraw/zinc/37/70/97/188377097.db2.gz UKSRJZLZFIADKW-SECBINFHSA-N 1 0 280.284 -0.294 20 5 CBBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000262137120 137707974 /nfs/dbraw/zinc/70/79/74/137707974.db2.gz WYPJTVRZZLUKJT-NSHDSACASA-N 1 0 267.289 -0.011 20 5 CBBDRO CC[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000354017927 353539114 /nfs/dbraw/zinc/53/91/14/353539114.db2.gz CTSRXIOFTDNCJL-UHFFFAOYSA-N 1 0 282.300 -0.176 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000358058898 353623636 /nfs/dbraw/zinc/62/36/36/353623636.db2.gz RKVYVEZAYLSMKO-LLVKDONJSA-N 1 0 268.273 -0.281 20 5 CBBDRO [NH3+]C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000358135808 353628647 /nfs/dbraw/zinc/62/86/47/353628647.db2.gz KVEVQNZQYHTVSL-VIFPVBQESA-N 1 0 255.278 -0.549 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000358427195 353643544 /nfs/dbraw/zinc/64/35/44/353643544.db2.gz VJFFTIBGWHCPTQ-GFCCVEGCSA-N 1 0 296.283 -0.508 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000358510774 353649060 /nfs/dbraw/zinc/64/90/60/353649060.db2.gz MENRVFNOKLZRSM-ZETCQYMHSA-N 1 0 269.261 -0.574 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376122131 353771928 /nfs/dbraw/zinc/77/19/28/353771928.db2.gz FHLQFYDFCPKAMS-AXFHLTTASA-N 1 0 268.317 -0.842 20 5 CBBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408152496 353859521 /nfs/dbraw/zinc/85/95/21/353859521.db2.gz AUQNKKYGDPQHIY-UWVGGRQHSA-N 1 0 294.315 -0.119 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408223121 353875224 /nfs/dbraw/zinc/87/52/24/353875224.db2.gz CWYWLBOHHKKXLM-DTWKUNHWSA-N 1 0 267.289 -0.153 20 5 CBBDRO CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000415738705 353965272 /nfs/dbraw/zinc/96/52/72/353965272.db2.gz SOGMEXRPOKWZOI-UHFFFAOYSA-N 1 0 278.268 -0.037 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@@H](C)CC[NH3+])c([N+](=O)[O-])n1 ZINC000447255340 354295397 /nfs/dbraw/zinc/29/53/97/354295397.db2.gz JIFFSMXITUFWJN-ZETCQYMHSA-N 1 0 291.333 -0.173 20 5 CBBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488810945 354427907 /nfs/dbraw/zinc/42/79/07/354427907.db2.gz WUCCSYUSPSLFCE-JFGNBEQYSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@]1(CO)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000546103498 354651283 /nfs/dbraw/zinc/65/12/83/354651283.db2.gz CQLVOSLTFGABDJ-NWDGAFQWSA-N 1 0 284.316 -0.001 20 5 CBBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562964750 354689983 /nfs/dbraw/zinc/68/99/83/354689983.db2.gz RENGAWQKEKGXSE-WDEREUQCSA-N 1 0 291.311 -0.014 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563101643 354696757 /nfs/dbraw/zinc/69/67/57/354696757.db2.gz KEQTVOSKDVQDGS-SNVBAGLBSA-N 1 0 296.331 -0.799 20 5 CBBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000564957622 354723058 /nfs/dbraw/zinc/72/30/58/354723058.db2.gz WEUQRGPIDULIGG-BRPSZJMVSA-N 1 0 264.241 -0.357 20 5 CBBDRO CC(C)[NH2+]CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000564981696 354723539 /nfs/dbraw/zinc/72/35/39/354723539.db2.gz WCMQGMFNKRCEAE-UHFFFAOYSA-N 1 0 270.293 -0.309 20 5 CBBDRO O=C(C[C@H]1COCC[NH2+]1)NCCn1cc([N+](=O)[O-])cn1 ZINC000573083440 354904075 /nfs/dbraw/zinc/90/40/75/354904075.db2.gz NDSWMZMCWJJHOA-VIFPVBQESA-N 1 0 283.288 -0.714 20 5 CBBDRO [NH3+]C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCC1 ZINC000579222066 354965248 /nfs/dbraw/zinc/96/52/48/354965248.db2.gz AGWKVNXZACWADK-VIFPVBQESA-N 1 0 282.304 -0.180 20 5 CBBDRO CCn1cc(S(=O)(=O)N(C)CCC[NH3+])c([N+](=O)[O-])n1 ZINC000580324669 354993900 /nfs/dbraw/zinc/99/39/00/354993900.db2.gz AZPSKAPUKLXJNS-UHFFFAOYSA-N 1 0 291.333 -0.220 20 5 CBBDRO Cc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n(C)n1 ZINC000583560378 355019882 /nfs/dbraw/zinc/01/98/82/355019882.db2.gz INJBNQPMJKPDBQ-LBPRGKRZSA-N 1 0 294.315 -0.016 20 5 CBBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000590444952 355080845 /nfs/dbraw/zinc/08/08/45/355080845.db2.gz OJFQGWXGKHSYFP-UWVGGRQHSA-N 1 0 279.300 -0.046 20 5 CBBDRO CCCc1n[nH]c(C(=O)N[C@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000588863770 355062054 /nfs/dbraw/zinc/06/20/54/355062054.db2.gz KHQRDTXQQWZOFE-QMMMGPOBSA-N 1 0 299.331 -0.077 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000588863814 355062348 /nfs/dbraw/zinc/06/23/48/355062348.db2.gz VLDRCNDQHPKCTO-VIFPVBQESA-N 1 0 285.304 -0.862 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCC[NH2+]1 ZINC000591677309 355107503 /nfs/dbraw/zinc/10/75/03/355107503.db2.gz IIEITXBWQUYIEQ-MRVPVSSYSA-N 1 0 268.277 -0.555 20 5 CBBDRO Cc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000591740912 355112134 /nfs/dbraw/zinc/11/21/34/355112134.db2.gz GHZPSIGBJUBOMO-NSHDSACASA-N 1 0 280.288 -0.026 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592556852 355163518 /nfs/dbraw/zinc/16/35/18/355163518.db2.gz VKFNOQHVBQSYLD-MRVPVSSYSA-N 1 0 297.271 -0.705 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592556855 355163662 /nfs/dbraw/zinc/16/36/62/355163662.db2.gz VKFNOQHVBQSYLD-QMMMGPOBSA-N 1 0 297.271 -0.705 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCO1 ZINC000592306044 355147199 /nfs/dbraw/zinc/14/71/99/355147199.db2.gz AETYQTSJRNNJKM-OIBJUYFYSA-N 1 0 296.283 -0.116 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000592309014 355147221 /nfs/dbraw/zinc/14/72/21/355147221.db2.gz NBZCPEFHMQMWPC-QMMMGPOBSA-N 1 0 282.304 -0.659 20 5 CBBDRO O=C(NCC1C[NH2+]C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592317434 355147506 /nfs/dbraw/zinc/14/75/06/355147506.db2.gz FIDFRSCWRAZFHK-UHFFFAOYSA-N 1 0 252.230 -0.355 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592308957 355147621 /nfs/dbraw/zinc/14/76/21/355147621.db2.gz PHBNDTVNNFTAOA-PSASIEDQSA-N 1 0 297.315 -0.326 20 5 CBBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000592338681 355149250 /nfs/dbraw/zinc/14/92/50/355149250.db2.gz YUDRJTBGJJATFA-WDSKDSINSA-N 1 0 257.225 -0.252 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000592432688 355154004 /nfs/dbraw/zinc/15/40/04/355154004.db2.gz LTMZGKGUGFHWOH-RAIGVLPGSA-N 1 0 298.295 -0.316 20 5 CBBDRO CN(CCN1CC[NH2+]CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000592469563 355155423 /nfs/dbraw/zinc/15/54/23/355155423.db2.gz UUYFIVBQIVRGKV-UHFFFAOYSA-N 1 0 296.331 -0.845 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000592475521 355156390 /nfs/dbraw/zinc/15/63/90/355156390.db2.gz LWIYOCAHBALZFA-VHSXEESVSA-N 1 0 269.305 -0.161 20 5 CBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593521618 355207874 /nfs/dbraw/zinc/20/78/74/355207874.db2.gz CEABFXSKKGWPPZ-UHFFFAOYSA-N 1 0 274.302 -0.170 20 5 CBBDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108668 355271375 /nfs/dbraw/zinc/27/13/75/355271375.db2.gz ODSDUOCMTVYRNM-ZCFIWIBFSA-N 1 0 260.275 -0.385 20 5 CBBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595119076 355272458 /nfs/dbraw/zinc/27/24/58/355272458.db2.gz LIPVATCTFXSUBU-ZETCQYMHSA-N 1 0 274.302 -0.124 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC12CC(C1)C[NH2+]2 ZINC000595990225 355336486 /nfs/dbraw/zinc/33/64/86/355336486.db2.gz VNILKXWLISYFQY-UHFFFAOYSA-N 1 0 265.273 -0.341 20 5 CBBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1(O)C[NH2+]C1 ZINC000595932766 355321038 /nfs/dbraw/zinc/32/10/38/355321038.db2.gz QERAGDUHECXWHC-UHFFFAOYSA-N 1 0 265.269 -0.412 20 5 CBBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(O)C[NH2+]C1 ZINC000595953478 355327454 /nfs/dbraw/zinc/32/74/54/355327454.db2.gz JMINQCUNMNXKTF-UHFFFAOYSA-N 1 0 295.299 -0.711 20 5 CBBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595956596 355328129 /nfs/dbraw/zinc/32/81/29/355328129.db2.gz OFRRDKYSUXMRSQ-UWVGGRQHSA-N 1 0 283.288 -0.729 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCOC2(C[NH2+]C2)C1 ZINC000596098285 355341640 /nfs/dbraw/zinc/34/16/40/355341640.db2.gz KHGIYLSFXXRTKJ-UHFFFAOYSA-N 1 0 295.299 -0.618 20 5 CBBDRO C[NH+](C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1O ZINC000596242245 355350601 /nfs/dbraw/zinc/35/06/01/355350601.db2.gz STLWPVDWCQFDTK-RYUDHWBXSA-N 1 0 294.311 -0.195 20 5 CBBDRO Nc1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc1[N+](=O)[O-] ZINC000596296690 355353297 /nfs/dbraw/zinc/35/32/97/355353297.db2.gz YREQIWXLYUZHLQ-SECBINFHSA-N 1 0 279.300 -0.173 20 5 CBBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000597696620 355409590 /nfs/dbraw/zinc/40/95/90/355409590.db2.gz CYEZUDXRMKTGRO-IUCAKERBSA-N 1 0 282.304 -0.263 20 5 CBBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000597696621 355409648 /nfs/dbraw/zinc/40/96/48/355409648.db2.gz CYEZUDXRMKTGRO-RKDXNWHRSA-N 1 0 282.304 -0.263 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[NH2+]2)n1 ZINC000599096884 355463430 /nfs/dbraw/zinc/46/34/30/355463430.db2.gz AEARSUNJUJSBCJ-SSDOTTSWSA-N 1 0 289.317 -0.641 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)n1 ZINC000599096887 355463705 /nfs/dbraw/zinc/46/37/05/355463705.db2.gz AEARSUNJUJSBCJ-ZETCQYMHSA-N 1 0 289.317 -0.641 20 5 CBBDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599105433 355464342 /nfs/dbraw/zinc/46/43/42/355464342.db2.gz CIKNWYGEQGSNTG-WDSKDSINSA-N 1 0 277.306 -0.658 20 5 CBBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599099231 355464628 /nfs/dbraw/zinc/46/46/28/355464628.db2.gz FXSYCEKHWIYXHZ-UHFFFAOYSA-N 1 0 291.333 -0.314 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600699055 355561447 /nfs/dbraw/zinc/56/14/47/355561447.db2.gz IAALENBUQMWFGC-JTQLQIEISA-N 1 0 282.300 -0.270 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccncc1[N+](=O)[O-] ZINC000599767358 355514286 /nfs/dbraw/zinc/51/42/86/355514286.db2.gz WPIDQFXWWYPBGF-VIFPVBQESA-N 1 0 295.299 -0.400 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600809061 355566662 /nfs/dbraw/zinc/56/66/62/355566662.db2.gz RFGRBSQGWFZEQY-JTQLQIEISA-N 1 0 297.315 -0.717 20 5 CBBDRO C[C@@H](O)C[NH+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602463464 355651824 /nfs/dbraw/zinc/65/18/24/355651824.db2.gz VETWAWQVKLGHEB-SNVBAGLBSA-N 1 0 283.332 -0.173 20 5 CBBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602836477 355674339 /nfs/dbraw/zinc/67/43/39/355674339.db2.gz FNYYOBGENQHBFX-SNVBAGLBSA-N 1 0 283.332 -0.173 20 5 CBBDRO Nc1cc(N2CC[NH+](CCO)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525164 355803889 /nfs/dbraw/zinc/80/38/89/355803889.db2.gz MJTOJOVNQHMCBG-UHFFFAOYSA-N 1 0 296.327 -0.216 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCC[NH2+]C1 ZINC000178388647 189112192 /nfs/dbraw/zinc/11/21/92/189112192.db2.gz QGXPXMBXHMLMMW-QMMMGPOBSA-N 1 0 253.262 -0.341 20 5 CBBDRO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[NH2+]C1 ZINC000179112622 189170667 /nfs/dbraw/zinc/17/06/67/189170667.db2.gz SBMJKEZAXGJUPN-VIFPVBQESA-N 1 0 280.284 -0.423 20 5 CBBDRO O=C(NC[C@H]1CN2CCN1CC2)c1[nH]ncc1[N+](=O)[O-] ZINC000179184780 189175605 /nfs/dbraw/zinc/17/56/05/189175605.db2.gz MBIGKSDUJIXHJZ-QMMMGPOBSA-N 1 0 280.288 -0.953 20 5 CBBDRO COCC[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179387669 189190322 /nfs/dbraw/zinc/19/03/22/189190322.db2.gz BHQVPWWOTRHCAC-UHFFFAOYSA-N 1 0 271.277 -0.857 20 5 CBBDRO CNC(=O)N[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342354977 216322844 /nfs/dbraw/zinc/32/28/44/216322844.db2.gz NTUMPANOTADAQS-SECBINFHSA-N 1 0 282.304 -0.205 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000183933383 189371961 /nfs/dbraw/zinc/37/19/61/189371961.db2.gz FCNQBMUQQNTVRW-UHFFFAOYSA-N 1 0 299.331 -0.388 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCO)c1 ZINC000551974668 283970044 /nfs/dbraw/zinc/97/00/44/283970044.db2.gz WFAKGVHMBPIDSU-SNVBAGLBSA-N 1 0 256.258 -0.084 20 5 CBBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000330668792 203096749 /nfs/dbraw/zinc/09/67/49/203096749.db2.gz CNHFGRZQLMWKEA-JTQLQIEISA-N 1 0 294.311 -0.176 20 5 CBBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330675916 203106709 /nfs/dbraw/zinc/10/67/09/203106709.db2.gz STGDUNHMBBDHRL-VIFPVBQESA-N 1 0 282.304 -0.261 20 5 CBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330689812 203121260 /nfs/dbraw/zinc/12/12/60/203121260.db2.gz FHIOJCJFQVOWJK-JTQLQIEISA-N 1 0 281.316 -0.102 20 5 CBBDRO C[N@@H+]1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000330708097 203139300 /nfs/dbraw/zinc/13/93/00/203139300.db2.gz MYIXBKOXUJHKAH-SECBINFHSA-N 1 0 267.289 -0.141 20 5 CBBDRO NC(=O)[C@@]1(O)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000276461725 193341205 /nfs/dbraw/zinc/34/12/05/193341205.db2.gz OUVHCLJLSPGYSH-CYBMUJFWSA-N 1 0 295.295 -0.104 20 5 CBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285817228 372944285 /nfs/dbraw/zinc/94/42/85/372944285.db2.gz GPWVMDZOBSJADD-QMMMGPOBSA-N 1 0 282.304 -0.707 20 5 CBBDRO C[C@@]1(C(N)=O)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361558175 373308994 /nfs/dbraw/zinc/30/89/94/373308994.db2.gz VAXNRHASEZXPSG-ZYHUDNBSSA-N 1 0 297.315 -0.651 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397044 373402605 /nfs/dbraw/zinc/40/26/05/373402605.db2.gz QMNPXVZYWKVKIO-DTWKUNHWSA-N 1 0 295.299 -0.089 20 5 CBBDRO O=C(CC[NH2+]C(CO)CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000515069670 373776915 /nfs/dbraw/zinc/77/69/15/373776915.db2.gz KNLGUIDSWFUAQM-UHFFFAOYSA-N 1 0 283.284 -0.134 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC000515054429 373774333 /nfs/dbraw/zinc/77/43/33/373774333.db2.gz HPNPLHJLLPPWMF-NSHDSACASA-N 1 0 280.288 -0.362 20 5 CBBDRO CN(C)C(=O)C(C)(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000532716158 374173755 /nfs/dbraw/zinc/17/37/55/374173755.db2.gz FDCRFBJVWLAVAK-JTQLQIEISA-N 1 0 299.331 -0.391 20 5 CBBDRO Cn1c(C(=O)NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000345376129 217527100 /nfs/dbraw/zinc/52/71/00/217527100.db2.gz FGYKXBWLAUUHGL-UHFFFAOYSA-N 1 0 295.343 -0.090 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[C@@H]1CC[NH2+]C1 ZINC000262598100 190058165 /nfs/dbraw/zinc/05/81/65/190058165.db2.gz WAGRWRYGPGAUQX-VIFPVBQESA-N 1 0 267.289 -0.093 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)C[NH3+] ZINC000262548777 190057360 /nfs/dbraw/zinc/05/73/60/190057360.db2.gz PDSFNFFJBLYISL-UHFFFAOYSA-N 1 0 255.278 -0.047 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000263767630 190078247 /nfs/dbraw/zinc/07/82/47/190078247.db2.gz MKGJCBFMBSSSPY-UHFFFAOYSA-N 1 0 285.304 -0.066 20 5 CBBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262704940 190061576 /nfs/dbraw/zinc/06/15/76/190061576.db2.gz BJMCSOPRDMHVDQ-VHSXEESVSA-N 1 0 294.311 -0.035 20 5 CBBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000264558005 190118154 /nfs/dbraw/zinc/11/81/54/190118154.db2.gz QEXMIKQXHSRSIR-JTQLQIEISA-N 1 0 297.315 -0.372 20 5 CBBDRO [NH3+]C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000358139320 248454739 /nfs/dbraw/zinc/45/47/39/248454739.db2.gz RDTAUQWMYSKMML-JTQLQIEISA-N 1 0 255.278 -0.549 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368381916 248762838 /nfs/dbraw/zinc/76/28/38/248762838.db2.gz YVSTVQZRNGRVCV-VHSXEESVSA-N 1 0 279.300 -0.080 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347325958 218191541 /nfs/dbraw/zinc/19/15/41/218191541.db2.gz ZWUBESRXISWXRO-AOOOYVTPSA-N 1 0 270.289 -0.391 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)C2CC2)c1 ZINC000266543055 190265205 /nfs/dbraw/zinc/26/52/05/190265205.db2.gz QWHIJIVGYOCZKV-NSHDSACASA-N 1 0 270.289 -0.391 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000347653840 218308331 /nfs/dbraw/zinc/30/83/31/218308331.db2.gz LSLZNPWBOVQSPI-DTORHVGOSA-N 1 0 279.300 -0.038 20 5 CBBDRO [NH3+]CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000158668644 207391236 /nfs/dbraw/zinc/39/12/36/207391236.db2.gz CQULYECODDGODT-UHFFFAOYSA-N 1 0 281.268 -0.017 20 5 CBBDRO CNC(=O)CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173636137 207409327 /nfs/dbraw/zinc/40/93/27/207409327.db2.gz QSHTUNCFQMOPQU-SNVBAGLBSA-N 1 0 285.304 -0.780 20 5 CBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415385819 207535211 /nfs/dbraw/zinc/53/52/11/207535211.db2.gz OMBSANAGNPOMIF-SECBINFHSA-N 1 0 294.315 -0.563 20 5 CBBDRO [NH3+]CC1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000428122255 208079539 /nfs/dbraw/zinc/07/95/39/208079539.db2.gz SEYIPAMGQICWNL-UHFFFAOYSA-N 1 0 294.311 -0.046 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[NH2+]CC1 ZINC000428434521 208088882 /nfs/dbraw/zinc/08/88/82/208088882.db2.gz WHYRBWFUXSTSEF-UHFFFAOYSA-N 1 0 267.289 -0.078 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000428651110 208094159 /nfs/dbraw/zinc/09/41/59/208094159.db2.gz KLXICASIIVJLRB-QMMMGPOBSA-N 1 0 253.262 -0.422 20 5 CBBDRO CN(CC(C)(C)C[NH3+])C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429506857 208123889 /nfs/dbraw/zinc/12/38/89/208123889.db2.gz XRGUXBPSSMBVJC-UHFFFAOYSA-N 1 0 270.293 -0.370 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000429186846 208115029 /nfs/dbraw/zinc/11/50/29/208115029.db2.gz VNAYICGDEIVECD-RKDXNWHRSA-N 1 0 267.289 -0.013 20 5 CBBDRO CN(CCn1cc([N+](=O)[O-])cn1)CC(=O)N1CC[NH2+]CC1 ZINC000430630866 208168084 /nfs/dbraw/zinc/16/80/84/208168084.db2.gz STAISGNTACHYOC-UHFFFAOYSA-N 1 0 296.331 -0.845 20 5 CBBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000432516996 208224845 /nfs/dbraw/zinc/22/48/45/208224845.db2.gz YMLLPEBMEMYEEM-ONGXEEELSA-N 1 0 294.311 -0.129 20 5 CBBDRO COc1ccc(S(=O)(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000019231435 533059258 /nfs/dbraw/zinc/05/92/58/533059258.db2.gz NKIWWDHGLVGYNM-UHFFFAOYSA-N 1 0 275.286 -0.160 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353763165 220315855 /nfs/dbraw/zinc/31/58/55/220315855.db2.gz SRSGTWUQIXNVMF-HTQZYQBOSA-N 1 0 265.273 -0.001 20 5 CBBDRO O=C(C[NH2+]CC1CC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000575044025 335058215 /nfs/dbraw/zinc/05/82/15/335058215.db2.gz CLAVDRCUZZDVSD-UHFFFAOYSA-N 1 0 267.289 -0.093 20 5 CBBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285597648 196339797 /nfs/dbraw/zinc/33/97/97/196339797.db2.gz YBWDQCXMRGWQFH-VIFPVBQESA-N 1 0 296.331 -0.316 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668477 173610485 /nfs/dbraw/zinc/61/04/85/173610485.db2.gz ZPMAHUOYCSUHNR-UHFFFAOYSA-N 1 0 266.257 -0.714 20 5 CBBDRO C[NH2+]C[C@@H](C)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237299017 419582340 /nfs/dbraw/zinc/58/23/40/419582340.db2.gz KAEWILUCKGKMQJ-MRVPVSSYSA-N 1 0 255.278 -0.237 20 5 CBBDRO C[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000354515275 419850690 /nfs/dbraw/zinc/85/06/90/419850690.db2.gz XSDJHPLUFQCLHH-UHFFFAOYSA-N 1 0 280.332 0.434 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359799736 419988075 /nfs/dbraw/zinc/98/80/75/419988075.db2.gz SWASRWLBLTVEPJ-GFCCVEGCSA-N 1 0 297.315 -0.386 20 5 CBBDRO O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364540749 420041804 /nfs/dbraw/zinc/04/18/04/420041804.db2.gz DDYWNYUFUSAWDY-GMTAPVOTSA-N 1 0 269.301 -0.369 20 5 CBBDRO CN1C[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000365820892 420069643 /nfs/dbraw/zinc/06/96/43/420069643.db2.gz OPOCRYFRLDBFBG-NSHDSACASA-N 1 0 294.315 -0.157 20 5 CBBDRO O=C1NC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]12 ZINC000368232767 420127649 /nfs/dbraw/zinc/12/76/49/420127649.db2.gz SYZIAYHVIBYADT-MWLCHTKSSA-N 1 0 279.300 -0.141 20 5 CBBDRO Nc1c(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC000368485401 420134397 /nfs/dbraw/zinc/13/43/97/420134397.db2.gz VVMKNECUTYVGQZ-MNOVXSKESA-N 1 0 292.295 -0.010 20 5 CBBDRO CC[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000517029518 420370186 /nfs/dbraw/zinc/37/01/86/420370186.db2.gz RUPHGODXODZIOM-QMMMGPOBSA-N 1 0 255.278 -0.047 20 5 CBBDRO CO[C@H](C[NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000569601210 420452414 /nfs/dbraw/zinc/45/24/14/420452414.db2.gz VXEAAIAJDLJEOB-SECBINFHSA-N 1 0 279.256 0.383 20 5 CBBDRO C[NH+](C)CC1CN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596246874 420488439 /nfs/dbraw/zinc/48/84/39/420488439.db2.gz JAWUYESAUVMIFU-UHFFFAOYSA-N 1 0 252.278 -0.035 20 5 CBBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@H](O)C2)nc1 ZINC000599199652 420491865 /nfs/dbraw/zinc/49/18/65/420491865.db2.gz OLQCTVFZPCFVIR-VIFPVBQESA-N 1 0 253.262 -0.137 20 5 CBBDRO C[NH2+]C[C@H](O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519659923 265524818 /nfs/dbraw/zinc/52/48/18/265524818.db2.gz ZGZJZTNIXDMBAO-NWDGAFQWSA-N 1 0 299.327 -0.496 20 5 CBBDRO CNC(=O)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183686638 269567581 /nfs/dbraw/zinc/56/75/81/269567581.db2.gz KGVFWDYCDZITGR-QWRGUYRKSA-N 1 0 299.331 -0.488 20 5 CBBDRO [NH3+][C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000571441599 328122272 /nfs/dbraw/zinc/12/22/72/328122272.db2.gz MPOXTXZITHQGRA-SSDOTTSWSA-N 1 0 272.286 -0.289 20 5 CBBDRO [NH3+][C@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000569139742 327038408 /nfs/dbraw/zinc/03/84/08/327038408.db2.gz SSYXZIPCOVKQMS-WPRPVWTQSA-N 1 0 295.274 -0.123 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584124283 327046131 /nfs/dbraw/zinc/04/61/31/327046131.db2.gz ABXSSGFWJGGGDF-HTQZYQBOSA-N 1 0 280.288 -0.924 20 5 CBBDRO C[NH2+]C[C@@H](O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584172814 327057299 /nfs/dbraw/zinc/05/72/99/327057299.db2.gz GZBLCZJEXNWCDC-MNOVXSKESA-N 1 0 299.327 -0.496 20 5 CBBDRO CC[NH2+]CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000574690262 327364359 /nfs/dbraw/zinc/36/43/59/327364359.db2.gz ACIMPMJRZAVISE-UHFFFAOYSA-N 1 0 274.302 -0.122 20 5 CBBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000570515236 327596482 /nfs/dbraw/zinc/59/64/82/327596482.db2.gz JWJAFOTWYFTTGC-QMMMGPOBSA-N 1 0 280.284 -0.023 20 5 CBBDRO CC(C)C(=O)NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393161293 329084911 /nfs/dbraw/zinc/08/49/11/329084911.db2.gz LBMDTLQXPAJUFK-NSHDSACASA-N 1 0 299.331 -0.486 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000582548429 329105795 /nfs/dbraw/zinc/10/57/95/329105795.db2.gz YQSRKBRTOSXNRX-SSDOTTSWSA-N 1 0 289.242 -0.095 20 5 CBBDRO [NH3+]CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000572036343 329939324 /nfs/dbraw/zinc/93/93/24/329939324.db2.gz MPKCVWXMXOSVER-UHFFFAOYSA-N 1 0 260.275 -0.383 20 5 CBBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)NCC[NH+](C)C ZINC000567178649 334687991 /nfs/dbraw/zinc/68/79/91/334687991.db2.gz MPNYDJZBSRPNBX-SSDOTTSWSA-N 1 0 298.303 -0.886 20 5 CBBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576703372 335237043 /nfs/dbraw/zinc/23/70/43/335237043.db2.gz PXEYQXGNZVOIFP-MRVPVSSYSA-N 1 0 286.313 -0.028 20 5 CBBDRO [NH3+]CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577084817 335297495 /nfs/dbraw/zinc/29/74/95/335297495.db2.gz OGKZUDQEXMYFND-UHFFFAOYSA-N 1 0 292.295 -0.446 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000578745978 335669098 /nfs/dbraw/zinc/66/90/98/335669098.db2.gz QVFCGBMFPQDUFA-VIFPVBQESA-N 1 0 294.315 -0.562 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000578745977 335669126 /nfs/dbraw/zinc/66/91/26/335669126.db2.gz QVFCGBMFPQDUFA-SECBINFHSA-N 1 0 294.315 -0.562 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCCO1 ZINC000578866752 335682229 /nfs/dbraw/zinc/68/22/29/335682229.db2.gz VOAYTIKPDFRSNK-SECBINFHSA-N 1 0 296.283 -0.115 20 5 CBBDRO CC[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000236923798 535466421 /nfs/dbraw/zinc/46/64/21/535466421.db2.gz PCULAHOMZSPTHI-UHFFFAOYSA-N 1 0 268.273 -0.518 20 5 CBBDRO C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000743272047 582276305 /nfs/dbraw/zinc/27/63/05/582276305.db2.gz MANSSKMJJGVFOF-CMPLNLGQSA-N 1 0 283.332 -0.212 20 5 CBBDRO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000743272077 582276362 /nfs/dbraw/zinc/27/63/62/582276362.db2.gz MANSSKMJJGVFOF-ZYHUDNBSSA-N 1 0 283.332 -0.212 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000762715346 582317997 /nfs/dbraw/zinc/31/79/97/582317997.db2.gz BGOUPAFWIOOIOZ-ZDUSSCGKSA-N 1 0 294.311 -0.027 20 5 CBBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000793933816 582399914 /nfs/dbraw/zinc/39/99/14/582399914.db2.gz VNGOIGOOSOOLTF-ZJUUUORDSA-N 1 0 294.315 -0.404 20 5 CBBDRO NC(=O)[C@]1(O)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569944 582406016 /nfs/dbraw/zinc/40/60/16/582406016.db2.gz ZDNDDZMSWTZWSK-AAEUAGOBSA-N 1 0 295.295 -0.450 20 5 CBBDRO NC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569947 582406042 /nfs/dbraw/zinc/40/60/42/582406042.db2.gz ZDNDDZMSWTZWSK-YPMHNXCESA-N 1 0 295.295 -0.450 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000839666826 583157194 /nfs/dbraw/zinc/15/71/94/583157194.db2.gz UHYLEGFYOBBUKV-WRWGMCAJSA-N 1 0 283.328 -0.291 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000839666825 583157507 /nfs/dbraw/zinc/15/75/07/583157507.db2.gz UHYLEGFYOBBUKV-KXNHARMFSA-N 1 0 283.328 -0.291 20 5 CBBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781345 583159906 /nfs/dbraw/zinc/15/99/06/583159906.db2.gz MYJFJLGAZUVRCW-GMTAPVOTSA-N 1 0 271.317 -0.385 20 5 CBBDRO C[NH2+]C[C@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843078597 583200376 /nfs/dbraw/zinc/20/03/76/583200376.db2.gz QUMMENGPWZDQSM-RYUDHWBXSA-N 1 0 269.301 -0.202 20 5 CBBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000843117609 583203866 /nfs/dbraw/zinc/20/38/66/583203866.db2.gz QQTMOTRANDWEHR-IJLUTSLNSA-N 1 0 268.269 -0.023 20 5 CBBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNC(=O)C[NH3+])CC2 ZINC000843495619 583229205 /nfs/dbraw/zinc/22/92/05/583229205.db2.gz VDNCDCUKJBVZHJ-UHFFFAOYSA-N 1 0 292.295 -0.133 20 5 CBBDRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC000844093230 583250675 /nfs/dbraw/zinc/25/06/75/583250675.db2.gz BDWFFNFMYLNZBB-GHMZBOCLSA-N 1 0 283.328 -0.025 20 5 CBBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848024187 583421541 /nfs/dbraw/zinc/42/15/41/583421541.db2.gz FPPDWCADDMNWCQ-GMTAPVOTSA-N 1 0 273.333 -0.139 20 5 CBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855697716 583647861 /nfs/dbraw/zinc/64/78/61/583647861.db2.gz WQEYTSQDQBDIGX-NXEZZACHSA-N 1 0 286.332 -0.870 20 5 CBBDRO C[C@H]([NH3+])CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000857102362 583664494 /nfs/dbraw/zinc/66/44/94/583664494.db2.gz OICGYEIRIUJTMU-QMMMGPOBSA-N 1 0 270.293 -0.172 20 5 CBBDRO O=C1OC[C@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000860159340 583739604 /nfs/dbraw/zinc/73/96/04/583739604.db2.gz DVCNJXCNFWGRHL-FBIMIBRVSA-N 1 0 296.283 -0.743 20 5 CBBDRO O=C(Cn1ncc([N+](=O)[O-])n1)NC1CC[NH+](C2CC2)CC1 ZINC000863374382 583840852 /nfs/dbraw/zinc/84/08/52/583840852.db2.gz QZAPZBOAVPUJJQ-UHFFFAOYSA-N 1 0 294.315 -0.071 20 5 CBBDRO CC(C)(Cn1cc(CN2CC[NH2+]CC2)nn1)[N+](=O)[O-] ZINC000864642650 583885351 /nfs/dbraw/zinc/88/53/51/583885351.db2.gz UIOMUNSACIHILD-UHFFFAOYSA-N 1 0 268.321 -0.261 20 5 CBBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846354 584093064 /nfs/dbraw/zinc/09/30/64/584093064.db2.gz YCOXGBXFKMCFSV-UWVGGRQHSA-N 1 0 294.315 -0.119 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1NCCN1CC[NH+](C)CC1 ZINC000891620104 584588181 /nfs/dbraw/zinc/58/81/81/584588181.db2.gz OMVIESDTISOOHZ-UHFFFAOYSA-N 1 0 268.321 -0.012 20 5 CBBDRO CS(=O)(=O)N1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905062641 656336352 /nfs/dbraw/zinc/33/63/52/656336352.db2.gz YINYPVHKZJTRLR-QMMMGPOBSA-N 1 0 251.308 -0.723 20 5 CBBDRO O=[N+]([O-])CC[NH2+]CCCN1CCCS1(=O)=O ZINC000905088194 656336936 /nfs/dbraw/zinc/33/69/36/656336936.db2.gz HOCAPJZVZCRUJX-UHFFFAOYSA-N 1 0 251.308 -0.722 20 5 CBBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000905122691 656340111 /nfs/dbraw/zinc/34/01/11/656340111.db2.gz TZMVFVIBIOZKFR-GFCCVEGCSA-N 1 0 272.349 -0.741 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996430075 656411922 /nfs/dbraw/zinc/41/19/22/656411922.db2.gz ZGVOCHURAUSMJE-GHMZBOCLSA-N 1 0 295.299 -0.185 20 5 CBBDRO C[NH2+][C@@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000911656456 657097302 /nfs/dbraw/zinc/09/73/02/657097302.db2.gz NXHCHTXFCPHZNR-SECBINFHSA-N 1 0 267.289 -0.080 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000911810022 657136783 /nfs/dbraw/zinc/13/67/83/657136783.db2.gz KMIRRSOCRHCREI-MRVPVSSYSA-N 1 0 267.289 -0.080 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CCCCCO)CC1 ZINC000913694865 657586619 /nfs/dbraw/zinc/58/66/19/657586619.db2.gz IAVGMAAEFLASQH-VXGBXAGGSA-N 1 0 285.344 -0.042 20 5 CBBDRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020533196 658068761 /nfs/dbraw/zinc/06/87/61/658068761.db2.gz KSKRGRJPHWYGHG-MGCOHNPYSA-N 1 0 292.295 -0.183 20 5 CBBDRO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020533886 658068771 /nfs/dbraw/zinc/06/87/71/658068771.db2.gz MOQJQWRBDNTGQM-MGCOHNPYSA-N 1 0 292.295 -0.183 20 5 CBBDRO CC1(C)C[NH2+]CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923291842 658194184 /nfs/dbraw/zinc/19/41/84/658194184.db2.gz GTPKLVDVYUVUHN-NSHDSACASA-N 1 0 283.332 -0.164 20 5 CBBDRO C[NH2+][C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923284983 658194496 /nfs/dbraw/zinc/19/44/96/658194496.db2.gz YNKQMICAKXOZRF-JQWIXIFHSA-N 1 0 283.332 -0.164 20 5 CBBDRO C[NH2+]CCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923361955 658236145 /nfs/dbraw/zinc/23/61/45/658236145.db2.gz PEOGTOTXMURPIB-JTQLQIEISA-N 1 0 257.294 -0.697 20 5 CBBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983654486 659363660 /nfs/dbraw/zinc/36/36/60/659363660.db2.gz OECUJMGBGGQKKZ-YJFSRANCSA-N 1 0 295.299 -0.281 20 5 CBBDRO COc1nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164667109 719369114 /nfs/dbraw/zinc/36/91/14/719369114.db2.gz IBYMRGQTPSWDLP-UWVGGRQHSA-N 1 0 295.299 -0.087 20 5 CBBDRO CN(C)C(=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000044991889 790328031 /nfs/dbraw/zinc/32/80/31/790328031.db2.gz HQMACJMNVWWSKR-JTQLQIEISA-N 1 0 285.304 -0.780 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH2+]CC2)c1 ZINC000088061323 790366628 /nfs/dbraw/zinc/36/66/28/790366628.db2.gz NTSZBLUWDVUDFK-JTQLQIEISA-N 1 0 255.278 -0.943 20 5 CBBDRO CC[S@@](=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000132754093 790388331 /nfs/dbraw/zinc/38/83/31/790388331.db2.gz MJODRRAHPYPXCL-OVWNDWIMSA-N 1 0 290.345 -0.490 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH2+]CC1 ZINC000702034998 790720068 /nfs/dbraw/zinc/72/00/68/790720068.db2.gz HHGLWMRHSKCRBC-UHFFFAOYSA-N 1 0 253.262 -0.341 20 5 CBBDRO [NH3+]C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000702037911 790720122 /nfs/dbraw/zinc/72/01/22/790720122.db2.gz SQMUTVCUVLGLAM-MRVPVSSYSA-N 1 0 253.262 -0.402 20 5 CBBDRO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022633412 791034266 /nfs/dbraw/zinc/03/42/66/791034266.db2.gz JEOJUJXFCSXLKW-AOOOYVTPSA-N 1 0 292.295 -0.183 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040699782 801325440 /nfs/dbraw/zinc/32/54/40/801325440.db2.gz FWHRAJVBAUTXSM-VXGBXAGGSA-N 1 0 297.355 -0.042 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001119682764 812867052 /nfs/dbraw/zinc/86/70/52/812867052.db2.gz UOFYRBJDFQPFDY-JLLWLGSASA-N 1 0 281.316 -0.554 20 5 CBBDRO CN(CCC[NH2+]Cc1nncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322505668 803904304 /nfs/dbraw/zinc/90/43/04/803904304.db2.gz OZMHUFUWERRIRR-NXEZZACHSA-N 1 0 296.331 -0.582 20 5 CBBDRO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1=CC[N@H+](C)CC1 ZINC001323620427 804050040 /nfs/dbraw/zinc/05/00/40/804050040.db2.gz DIKIFRIFHOBTIU-VIFPVBQESA-N 1 0 294.315 -0.047 20 5 CBBDRO NC(=O)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001324141730 804112976 /nfs/dbraw/zinc/11/29/76/804112976.db2.gz NBKJLHYCLBNFQS-SNVBAGLBSA-N 1 0 294.311 -0.046 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001325826529 804319483 /nfs/dbraw/zinc/31/94/83/804319483.db2.gz UAHCGSXWQQVXDO-VHSXEESVSA-N 1 0 294.311 -0.048 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001325826530 804319940 /nfs/dbraw/zinc/31/99/40/804319940.db2.gz UAHCGSXWQQVXDO-ZJUUUORDSA-N 1 0 294.311 -0.048 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001151937572 815098188 /nfs/dbraw/zinc/09/81/88/815098188.db2.gz ZDWFAYHGBOYMAU-GFCCVEGCSA-N 1 0 299.331 -0.471 20 5 CBBDRO CCOCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154341117 815210569 /nfs/dbraw/zinc/21/05/69/815210569.db2.gz KPPNBQKDPMMADM-UHFFFAOYSA-N 1 0 299.331 -0.039 20 5 CBBDRO COc1cc(N(CC[NH3+])S(C)(=O)=O)ncc1[N+](=O)[O-] ZINC001154765711 815238728 /nfs/dbraw/zinc/23/87/28/815238728.db2.gz HJVHTDJLRBNEIL-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO COc1cnc(N(CC[NH3+])S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001154766441 815238806 /nfs/dbraw/zinc/23/88/06/815238806.db2.gz YYPAAOMJMVCFMY-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1nc(Cl)ncc1[N+](=O)[O-] ZINC001154767456 815238872 /nfs/dbraw/zinc/23/88/72/815238872.db2.gz VADNNCLSEUJWMD-UHFFFAOYSA-N 1 0 295.708 -0.237 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155506656 815289034 /nfs/dbraw/zinc/28/90/34/815289034.db2.gz XOCNMIYEMXLSRA-OPRDCNLKSA-N 1 0 280.284 -0.065 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001155537873 815291089 /nfs/dbraw/zinc/29/10/89/815291089.db2.gz XWICOUCQLQWYMP-LDYMZIIASA-N 1 0 266.257 -0.229 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])cc[n+]2[O-])N1 ZINC001155570150 815294133 /nfs/dbraw/zinc/29/41/33/815294133.db2.gz KXMBCEJCPQAFJG-KCJUWKMLSA-N 1 0 279.256 -0.782 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])cc[n+]2[O-])N1 ZINC001155570152 815294143 /nfs/dbraw/zinc/29/41/43/815294143.db2.gz KXMBCEJCPQAFJG-KWQFWETISA-N 1 0 279.256 -0.782 20 5 CBBDRO COc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155570996 815294422 /nfs/dbraw/zinc/29/44/22/815294422.db2.gz QCAVKZSKCYBHBG-PRHODGIISA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155571865 815295253 /nfs/dbraw/zinc/29/52/53/815295253.db2.gz UPAQVKGVRLGSAC-CABZTGNLSA-N 1 0 293.283 -0.012 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])ccn2)N1 ZINC001155572526 815295599 /nfs/dbraw/zinc/29/55/99/815295599.db2.gz YFOFVHXJLWJSPZ-KWQFWETISA-N 1 0 263.257 -0.020 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001155577449 815297815 /nfs/dbraw/zinc/29/78/15/815297815.db2.gz UWEUPGALPWXVRI-GZMMTYOYSA-N 1 0 278.272 -0.438 20 5 CBBDRO COc1nc(N(C)S(=O)(=O)CC[NH3+])ccc1[N+](=O)[O-] ZINC001156231503 815347348 /nfs/dbraw/zinc/34/73/48/815347348.db2.gz IYIJNQYYALDTEF-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO CC(C)(CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(N)=O ZINC001156743019 815377413 /nfs/dbraw/zinc/37/74/13/815377413.db2.gz HVRLRENMFXCTIB-UHFFFAOYSA-N 1 0 294.315 -0.005 20 5 CBBDRO CC(=O)CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156778757 815378397 /nfs/dbraw/zinc/37/83/97/815378397.db2.gz NQVBZXPULSYILE-UHFFFAOYSA-N 1 0 280.288 -0.205 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(-n2nnc(CC[NH3+])n2)n1 ZINC001156985151 815394403 /nfs/dbraw/zinc/39/44/03/815394403.db2.gz SOJOGVMLQNXAPC-UHFFFAOYSA-N 1 0 280.248 -0.821 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157623842 815448083 /nfs/dbraw/zinc/44/80/83/815448083.db2.gz NNDHMXZVAICILL-DTWKUNHWSA-N 1 0 250.258 -0.055 20 5 CBBDRO O=C(NCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001157775821 815466072 /nfs/dbraw/zinc/46/60/72/815466072.db2.gz YUXXYYIEZLAYNA-GHMZBOCLSA-N 1 0 298.343 -0.726 20 5 CBBDRO Cn1nccc1CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767730 815462588 /nfs/dbraw/zinc/46/25/88/815462588.db2.gz SFDZLTBGILUSKK-VXGBXAGGSA-N 1 0 295.343 -0.276 20 5 CBBDRO Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001157760356 815462720 /nfs/dbraw/zinc/46/27/20/815462720.db2.gz DLSJJTMKFBLAEG-GHMZBOCLSA-N 1 0 281.316 -0.319 20 5 CBBDRO CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001157760655 815463177 /nfs/dbraw/zinc/46/31/77/815463177.db2.gz GQLVHZFMJYHVCS-GHMZBOCLSA-N 1 0 298.343 -0.632 20 5 CBBDRO CCn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767695 815463199 /nfs/dbraw/zinc/46/31/99/815463199.db2.gz RSPIKYCMAUKMLK-NXEZZACHSA-N 1 0 296.331 -0.441 20 5 CBBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1nnnc1C[NH3+] ZINC001158077438 815503276 /nfs/dbraw/zinc/50/32/76/815503276.db2.gz PPVOQRXRRBMGRC-UHFFFAOYSA-N 1 0 293.243 -0.399 20 5 CBBDRO COc1ncnc(-n2nc(CC[NH3+])nc2C)c1[N+](=O)[O-] ZINC001158131539 815505908 /nfs/dbraw/zinc/50/59/08/815505908.db2.gz WXGOIRILYGRYBT-UHFFFAOYSA-N 1 0 279.260 -0.216 20 5 CBBDRO COc1nc(-n2cncc2C[C@@H]([NH3+])CO)ncc1[N+](=O)[O-] ZINC001158203443 815512764 /nfs/dbraw/zinc/51/27/64/815512764.db2.gz MVMIXAGAXSKGOR-SSDOTTSWSA-N 1 0 294.271 -0.559 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[NH+]1CC=CC1 ZINC001116127497 812225270 /nfs/dbraw/zinc/22/52/70/812225270.db2.gz BQSKASJIZBFRKI-UHFFFAOYSA-N 1 0 292.295 -0.256 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116649366 812290064 /nfs/dbraw/zinc/29/00/64/812290064.db2.gz RJSGNKBEQBBGRG-UHFFFAOYSA-N 1 0 285.304 -0.628 20 5 CBBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001118085521 812468084 /nfs/dbraw/zinc/46/80/84/812468084.db2.gz HFFZRJWLZQLIKJ-JTQLQIEISA-N 1 0 268.277 -0.616 20 5 CBBDRO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCC[NH2+]C1 ZINC001118082273 812468873 /nfs/dbraw/zinc/46/88/73/812468873.db2.gz WPMHQEMJZUVOSV-RKDXNWHRSA-N 1 0 282.304 -0.309 20 5 CBBDRO Cc1noc(CN2CCC(O)(C(N)=O)CC2)c1[N+](=O)[O-] ZINC001118497163 812559379 /nfs/dbraw/zinc/55/93/79/812559379.db2.gz PFQLVZXYYMFJHU-UHFFFAOYSA-N 1 0 284.272 -0.297 20 5 CBBDRO CO[C@@H]1CN(c2ncc([N+](=O)[O-])cc2N)C[C@@H]1[NH3+] ZINC001158711846 815544777 /nfs/dbraw/zinc/54/47/77/815544777.db2.gz VSLIEEKLEFQRJW-DTWKUNHWSA-N 1 0 253.262 -0.266 20 5 CBBDRO CO[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1[NH3+] ZINC001158713223 815544909 /nfs/dbraw/zinc/54/49/09/815544909.db2.gz YPRVLJQDLCWMLJ-IONNQARKSA-N 1 0 253.262 -0.144 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([NH3+])C3(COC3)C2)n1 ZINC001158761782 815545675 /nfs/dbraw/zinc/54/56/75/815545675.db2.gz GABLMRZOJQUNBV-QMMMGPOBSA-N 1 0 295.299 -0.134 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1COCC[NH2+]1 ZINC001159043743 815556222 /nfs/dbraw/zinc/55/62/22/815556222.db2.gz IHNIAVFMBANOGN-SECBINFHSA-N 1 0 268.273 -0.063 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@H]1COCC[NH2+]1 ZINC001159043744 815556459 /nfs/dbraw/zinc/55/64/59/815556459.db2.gz IHNIAVFMBANOGN-VIFPVBQESA-N 1 0 268.273 -0.063 20 5 CBBDRO COc1nc(NC[C@@H]2COCC[NH2+]2)nc(OC)c1[N+](=O)[O-] ZINC001159043606 815556830 /nfs/dbraw/zinc/55/68/30/815556830.db2.gz VQQGWVYKLOGYLH-SSDOTTSWSA-N 1 0 299.287 -0.198 20 5 CBBDRO CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+](C)CC1 ZINC001119882375 812900159 /nfs/dbraw/zinc/90/01/59/812900159.db2.gz JUPHBXSOJXUCDN-UHFFFAOYSA-N 1 0 296.375 -0.030 20 5 CBBDRO CC(=O)NCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001122668181 813183402 /nfs/dbraw/zinc/18/34/02/813183402.db2.gz VHKYIFAOBRVTSX-UHFFFAOYSA-N 1 0 294.311 -0.063 20 5 CBBDRO CNC(=O)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126161965 813620420 /nfs/dbraw/zinc/62/04/20/813620420.db2.gz VYYWJZVXJBKZNL-UHFFFAOYSA-N 1 0 294.311 -0.063 20 5 CBBDRO Cn1nccc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932263 813695067 /nfs/dbraw/zinc/69/50/67/813695067.db2.gz OSSIOBVWZXWWTI-NXEZZACHSA-N 1 0 267.289 -0.709 20 5 CBBDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001126932145 813695333 /nfs/dbraw/zinc/69/53/33/813695333.db2.gz JHAHEJPGKKWPFX-NXEZZACHSA-N 1 0 295.299 -0.644 20 5 CBBDRO Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O ZINC001126943741 813696838 /nfs/dbraw/zinc/69/68/38/813696838.db2.gz WAYAIVVPMJCRGO-GHMZBOCLSA-N 1 0 294.311 -0.744 20 5 CBBDRO Cc1nocc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936672 813697451 /nfs/dbraw/zinc/69/74/51/813697451.db2.gz QBEORHAAMRQKQW-NXEZZACHSA-N 1 0 268.273 -0.146 20 5 CBBDRO Cc1nccnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938931 813697964 /nfs/dbraw/zinc/69/79/64/813697964.db2.gz NYSNQSIKMATECN-MWLCHTKSSA-N 1 0 279.300 -0.344 20 5 CBBDRO Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936456 813698025 /nfs/dbraw/zinc/69/80/25/813698025.db2.gz IXKOZBSRCRSIDT-GHMZBOCLSA-N 1 0 281.316 -0.666 20 5 CBBDRO CC(=O)N1CC(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001159936345 815605882 /nfs/dbraw/zinc/60/58/82/815605882.db2.gz FPGDGEIGKIQKCR-UHFFFAOYSA-N 1 0 292.299 -0.286 20 5 CBBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001159671066 815583191 /nfs/dbraw/zinc/58/31/91/815583191.db2.gz HZOFXOPFAMZJDF-POYBYMJQSA-N 1 0 283.244 -0.110 20 5 CBBDRO COC(=O)c1cnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001159672994 815584304 /nfs/dbraw/zinc/58/43/04/815584304.db2.gz UGEGKJIPGBDMKS-RKDXNWHRSA-N 1 0 296.283 -0.231 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159672973 815584377 /nfs/dbraw/zinc/58/43/77/815584377.db2.gz UDZRRZFJSVJIGK-XCBNKYQSSA-N 1 0 296.283 -0.231 20 5 CBBDRO COC(=O)c1cnc(N[C@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001159672993 815584693 /nfs/dbraw/zinc/58/46/93/815584693.db2.gz UGEGKJIPGBDMKS-IUCAKERBSA-N 1 0 296.283 -0.231 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001159681687 815587575 /nfs/dbraw/zinc/58/75/75/815587575.db2.gz FTXCOTWTIQLQBF-VXNVDRBHSA-N 1 0 296.283 -0.231 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)n1 ZINC001159681686 815588330 /nfs/dbraw/zinc/58/83/30/815588330.db2.gz FTXCOTWTIQLQBF-IONNQARKSA-N 1 0 296.283 -0.231 20 5 CBBDRO COc1ccc([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001162125346 815805294 /nfs/dbraw/zinc/80/52/94/815805294.db2.gz ZBYBUCARRDKWAH-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1cnc(F)c([N+](=O)[O-])c1 ZINC001162130657 815806583 /nfs/dbraw/zinc/80/65/83/815806583.db2.gz FDBQISVRXXUDSR-UHFFFAOYSA-N 1 0 278.265 -0.146 20 5 CBBDRO COc1cc([N+](=O)[O-])cnc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163235539 815867658 /nfs/dbraw/zinc/86/76/58/815867658.db2.gz CBCCJCGSLRCFPX-BXKDBHETSA-N 1 0 293.283 -0.012 20 5 CBBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cn1 ZINC001163342660 815878941 /nfs/dbraw/zinc/87/89/41/815878941.db2.gz DGGVQOWBWMPFQV-FWWHASMVSA-N 1 0 251.246 -0.074 20 5 CBBDRO C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001303625793 816771589 /nfs/dbraw/zinc/77/15/89/816771589.db2.gz HBZPWRSFUCFVMO-UHFFFAOYSA-N 1 0 282.300 -0.169 20 5 CBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nn(C)cc1[N+](=O)[O-] ZINC001307148699 816796913 /nfs/dbraw/zinc/79/69/13/816796913.db2.gz XXPZWAUELMBTKY-SECBINFHSA-N 1 0 296.331 -0.116 20 5 CBBDRO CO[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC001307770887 816807857 /nfs/dbraw/zinc/80/78/57/816807857.db2.gz XIIHECBNRVWBFT-GHMZBOCLSA-N 1 0 283.284 -0.552 20 5 CBBDRO CC[C@@H](CO)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001307803227 816809193 /nfs/dbraw/zinc/80/91/93/816809193.db2.gz APHRNRDWLUDIIM-ONGXEEELSA-N 1 0 272.305 -0.145 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001308162971 816822649 /nfs/dbraw/zinc/82/26/49/816822649.db2.gz JXDJHJKIPRSBDC-WDEREUQCSA-N 1 0 284.316 -0.286 20 5 CBBDRO COCC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001317071355 816927357 /nfs/dbraw/zinc/92/73/57/816927357.db2.gz DURJBNQNEBBKQV-KYZUINATSA-N 1 0 297.315 -0.289 20 5 CBBDRO O=C(N[C@H]1C[C@H]([NH2+]CCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317075871 816929840 /nfs/dbraw/zinc/92/98/40/816929840.db2.gz HOUBMNYXISLIIY-ZYUZMQFOSA-N 1 0 257.290 -0.729 20 5 CBBDRO COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001317109650 816933133 /nfs/dbraw/zinc/93/31/33/816933133.db2.gz NAVDXVTUXSGYHW-UTINFBMNSA-N 1 0 257.290 -0.465 20 5 CBBDRO CC[N@H+](CCCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317480071 816994153 /nfs/dbraw/zinc/99/41/53/816994153.db2.gz OCZPSJORJWNORI-NXEZZACHSA-N 1 0 259.306 -0.528 20 5 CBBDRO O=C1CC[C@@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])N1 ZINC001164162499 819887913 /nfs/dbraw/zinc/88/79/13/819887913.db2.gz GDSKEPMYLCQMFV-QMMMGPOBSA-N 1 0 292.299 -0.238 20 5 CBBDRO [NH3+]CCON=c1nc[n-]c(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001164423660 819913350 /nfs/dbraw/zinc/91/33/50/819913350.db2.gz IKLSAXOQVQIBDW-UHFFFAOYSA-N 1 0 254.250 -0.626 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001165438124 819964159 /nfs/dbraw/zinc/96/41/59/819964159.db2.gz DKWXWSZGYFPQJN-VIFPVBQESA-N 1 0 281.272 -0.356 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCO[C@@H](C[NH3+])C1 ZINC001166940193 820049841 /nfs/dbraw/zinc/04/98/41/820049841.db2.gz FEBLTKZMXNUSDJ-VIFPVBQESA-N 1 0 268.273 -0.299 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])cc1N ZINC001166968343 820055193 /nfs/dbraw/zinc/05/51/93/820055193.db2.gz RUHSDMXCLSIJKQ-MUWHJKNJSA-N 1 0 281.272 -0.349 20 5 CBBDRO COc1cc(N2C[C@@H](O)[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001167088963 820068709 /nfs/dbraw/zinc/06/87/09/820068709.db2.gz JWTODSAAUFPABU-POYBYMJQSA-N 1 0 254.246 -0.493 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H]([NH3+])C2)n1 ZINC001167089868 820070421 /nfs/dbraw/zinc/07/04/21/820070421.db2.gz QENFZKHYWQEUKR-IMTBSYHQSA-N 1 0 282.256 -0.715 20 5 CBBDRO Cc1ncc(C[NH3+])c(=N)n1-c1nccnc1[N+](=O)[O-] ZINC001167671681 820110567 /nfs/dbraw/zinc/11/05/67/820110567.db2.gz LVNWUABETMAAPV-UHFFFAOYSA-N 1 0 261.245 -0.183 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc(CC[NH3+])n1 ZINC001167726639 820113232 /nfs/dbraw/zinc/11/32/32/820113232.db2.gz IMKXQHDSTQRVCH-UHFFFAOYSA-N 1 0 276.256 -0.224 20 5 CBBDRO CCC(CO)(CO)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001167970632 820136827 /nfs/dbraw/zinc/13/68/27/820136827.db2.gz PFUYSVCVAHIJLE-UHFFFAOYSA-N 1 0 297.315 -0.383 20 5 CBBDRO NC(=O)c1nc(-n2cc(C[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001168255654 820152895 /nfs/dbraw/zinc/15/28/95/820152895.db2.gz YCQORCPZVOHJTP-UHFFFAOYSA-N 1 0 262.229 -0.267 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1-n1nnnc1C[NH3+] ZINC001168920261 820191556 /nfs/dbraw/zinc/19/15/56/820191556.db2.gz LSRFFQJZCWVEEF-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO COc1nc(-n2nnnc2C[NH3+])nc(C)c1[N+](=O)[O-] ZINC001168918621 820191700 /nfs/dbraw/zinc/19/17/00/820191700.db2.gz HTMBGYRYDZISOA-UHFFFAOYSA-N 1 0 266.221 -0.864 20 5 CBBDRO NC(=O)CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168955923 820197654 /nfs/dbraw/zinc/19/76/54/820197654.db2.gz GRIFLJPVQAAWDP-UHFFFAOYSA-N 1 0 266.261 -0.641 20 5 CBBDRO Cc1nc(CC[NH3+])nn1-c1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001168984126 820198694 /nfs/dbraw/zinc/19/86/94/820198694.db2.gz VUHRYYKNDNVTNU-UHFFFAOYSA-N 1 0 278.272 -0.073 20 5 CBBDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979676 820198907 /nfs/dbraw/zinc/19/89/07/820198907.db2.gz ZICHFZIXPNSVQZ-ZJUUUORDSA-N 1 0 279.362 -0.087 20 5 CBBDRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169001017 820200153 /nfs/dbraw/zinc/20/01/53/820200153.db2.gz CHPYFXYPZWTCPC-AXTSPUMRSA-N 1 0 286.332 -0.600 20 5 CBBDRO CNC(=O)[C@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001169984787 820272486 /nfs/dbraw/zinc/27/24/86/820272486.db2.gz NFTCJXBQVNKWRW-LURJTMIESA-N 1 0 280.288 -0.382 20 5 CBBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170567527 820309144 /nfs/dbraw/zinc/30/91/44/820309144.db2.gz DVVGLSVRCQWLSX-IONNQARKSA-N 1 0 295.299 -0.123 20 5 CBBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170774072 820317442 /nfs/dbraw/zinc/31/74/42/820317442.db2.gz UGZLZPNTEPYKGB-YUMQZZPRSA-N 1 0 268.273 -0.009 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170775726 820319270 /nfs/dbraw/zinc/31/92/70/820319270.db2.gz YUHRPOREFNYJEA-IMTBSYHQSA-N 1 0 281.272 -0.919 20 5 CBBDRO COc1cnc(N[C@H]2C[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001170779290 820320906 /nfs/dbraw/zinc/32/09/06/820320906.db2.gz XIUWVBOJXJDQQJ-SFYZADRCSA-N 1 0 268.273 -0.009 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170779498 820322152 /nfs/dbraw/zinc/32/21/52/820322152.db2.gz JTKMUZQBEFMFIW-YUMQZZPRSA-N 1 0 254.246 -0.780 20 5 CBBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@H]2CO)cn2cnnc12 ZINC001170783152 820323951 /nfs/dbraw/zinc/32/39/51/820323951.db2.gz QIVVTHOMKOACKV-CBAPKCEASA-N 1 0 278.272 -0.370 20 5 CBBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170788902 820325118 /nfs/dbraw/zinc/32/51/18/820325118.db2.gz LDWZZCBMDVBNQX-OIBJUYFYSA-N 1 0 292.295 -0.170 20 5 CBBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cnc([N+](=O)[O-])cn1 ZINC001170871787 820332470 /nfs/dbraw/zinc/33/24/70/820332470.db2.gz JZQKLJLCXYFSAP-HTQZYQBOSA-N 1 0 281.272 -0.052 20 5 CBBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001183240170 820982998 /nfs/dbraw/zinc/98/29/98/820982998.db2.gz YYYRLVDALHUEKV-LLVKDONJSA-N 1 0 285.304 -0.250 20 5 CBBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC001195012090 824097861 /nfs/dbraw/zinc/09/78/61/824097861.db2.gz GPABCQXXIZBCKO-UHTWSYAYSA-N 1 0 282.296 -0.087 20 5 CBBDRO NC(=O)[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(N)=O ZINC001196092552 824148545 /nfs/dbraw/zinc/14/85/45/824148545.db2.gz INAXHTUOIYMNLX-QWRGUYRKSA-N 1 0 292.295 -0.387 20 5 CBBDRO CCOC(=O)[C@@H](C)OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001204259353 824366487 /nfs/dbraw/zinc/36/64/87/824366487.db2.gz JRCOINVWLLKZOE-NXEZZACHSA-N 1 0 262.326 -0.062 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCn1ccnc1 ZINC001222135575 825202734 /nfs/dbraw/zinc/20/27/34/825202734.db2.gz ZZVPOXCFAITVAE-LLVKDONJSA-N 1 0 256.326 -0.117 20 5 CBBDRO COC[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)C(=O)OC ZINC001222339779 825208574 /nfs/dbraw/zinc/20/85/74/825208574.db2.gz CKBVDANLELNMAN-ZJUUUORDSA-N 1 0 278.325 -0.825 20 5 CBBDRO CN(C)C(=O)CCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222557707 825216451 /nfs/dbraw/zinc/21/64/51/825216451.db2.gz JFMZWCFNXQQOOJ-SNVBAGLBSA-N 1 0 261.342 -0.535 20 5 CBBDRO C[C@@H](C[NH+](C)C)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224797689 825247129 /nfs/dbraw/zinc/24/71/29/825247129.db2.gz RDVVMVHEFOUEOO-QMMMGPOBSA-N 1 0 290.276 -0.955 20 5 CBBDRO COC(=O)CN1C[C@@H](OCC[N+](C)(C)C)CC1=O ZINC001224776533 825248060 /nfs/dbraw/zinc/24/80/60/825248060.db2.gz XLYZQKJUIROCCY-JTQLQIEISA-N 1 0 259.326 -0.517 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC1=NC=NC1C(N)=O ZINC001226672434 825284653 /nfs/dbraw/zinc/28/46/53/825284653.db2.gz RKACXTQCTHMXDB-SSDOTTSWSA-O 1 0 271.297 -0.887 20 5 CBBDRO Cn1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1=O ZINC001229671377 825333933 /nfs/dbraw/zinc/33/39/33/825333933.db2.gz BXZCAZPTVRUHBV-SNVBAGLBSA-N 1 0 269.321 -0.252 20 5 CBBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001229704948 825336307 /nfs/dbraw/zinc/33/63/07/825336307.db2.gz NUIVFAWUHABTOK-QMMMGPOBSA-O 1 0 296.351 -0.566 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nncc2n[nH]cc21 ZINC001230896626 825379876 /nfs/dbraw/zinc/37/98/76/825379876.db2.gz SSLPOUUJTYZCNQ-MRVPVSSYSA-N 1 0 280.308 -0.285 20 5 CBBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1N ZINC001246935736 825733875 /nfs/dbraw/zinc/73/38/75/825733875.db2.gz YJRQTNRGJNEHQA-GWOFURMSSA-N 1 0 271.317 -0.136 20 5 CBBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001253825831 825934869 /nfs/dbraw/zinc/93/48/69/825934869.db2.gz RGOZDGNWLPTURZ-SECBINFHSA-N 1 0 296.331 -0.316 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)C[NH+](C)C)n1 ZINC001254104853 825942391 /nfs/dbraw/zinc/94/23/91/825942391.db2.gz OFKDCLVIPAELDA-NSHDSACASA-N 1 0 285.304 -0.629 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1)C1CC1 ZINC001261208649 826494134 /nfs/dbraw/zinc/49/41/34/826494134.db2.gz ARXJOIMZMAVBQP-MRVPVSSYSA-N 1 0 283.288 -0.655 20 5 CBBDRO C[NH+](C)CC1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001261744169 826572088 /nfs/dbraw/zinc/57/20/88/826572088.db2.gz WYQCKQXCUWDILU-UHFFFAOYSA-N 1 0 267.289 -0.189 20 5 CBBDRO O=C(NCC[N@@H+](CCCO)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266592200 827029584 /nfs/dbraw/zinc/02/95/84/827029584.db2.gz KJCYTLNDSLAYPU-GHMZBOCLSA-N 1 0 271.317 -0.385 20 5 CBBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCOC ZINC001267240934 827137405 /nfs/dbraw/zinc/13/74/05/827137405.db2.gz DRQRRLPIWSNDPS-NXEZZACHSA-N 1 0 259.306 -0.264 20 5 CBBDRO NC(=O)C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001268583453 827370333 /nfs/dbraw/zinc/37/03/33/827370333.db2.gz AOTKHHUTGAMRIH-UPHRSURJSA-N 1 0 292.295 -0.158 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]C/C=C\Cl ZINC001326022072 884874822 /nfs/dbraw/zinc/87/48/22/884874822.db2.gz IUXGOCJRVDODLZ-BSANDHCLSA-N 1 0 291.735 -0.185 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC001326201587 884941734 /nfs/dbraw/zinc/94/17/34/884941734.db2.gz XGGWOCFDCKYBIR-UMNHJUIQSA-N 1 0 282.300 -0.321 20 5 CBBDRO NC(=O)[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326236787 884952677 /nfs/dbraw/zinc/95/26/77/884952677.db2.gz NZUHRFVQWGAZKI-NXEZZACHSA-N 1 0 269.257 -0.936 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001326451080 885030364 /nfs/dbraw/zinc/03/03/64/885030364.db2.gz LFYUXZZPTJHIKD-SSDOTTSWSA-N 1 0 269.261 -0.954 20 5 CBBDRO CNC(=O)[C@@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326503822 885048832 /nfs/dbraw/zinc/04/88/32/885048832.db2.gz WDZAYSNVSMJLRD-MNOVXSKESA-N 1 0 283.284 -0.675 20 5 CBBDRO CNC(=O)[C@@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326503820 885049290 /nfs/dbraw/zinc/04/92/90/885049290.db2.gz WDZAYSNVSMJLRD-GHMZBOCLSA-N 1 0 283.284 -0.675 20 5 CBBDRO O=[N+]([O-])c1ccn(CCN2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC001326583648 885073457 /nfs/dbraw/zinc/07/34/57/885073457.db2.gz KJCIVEAJCPAXGQ-GFCCVEGCSA-N 1 0 294.359 -0.229 20 5 CBBDRO C[NH2+]CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001326583018 885075243 /nfs/dbraw/zinc/07/52/43/885075243.db2.gz VZTPPDZEIDESGU-UHFFFAOYSA-N 1 0 282.304 -0.356 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2CC[NH2+]C2)c1=O ZINC001328181063 885593500 /nfs/dbraw/zinc/59/35/00/885593500.db2.gz GHKCINAYINWKOJ-ZETCQYMHSA-N 1 0 266.257 -0.535 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC001328243614 885608792 /nfs/dbraw/zinc/60/87/92/885608792.db2.gz PFPSSKQOFIGXQN-LURJTMIESA-N 1 0 255.234 -0.882 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC(CO)(CO)C1 ZINC001328430418 885685063 /nfs/dbraw/zinc/68/50/63/885685063.db2.gz ZOEVSMLCPZSEAS-UHFFFAOYSA-N 1 0 297.311 -0.567 20 5 CBBDRO CCOC(=O)[C@H]1C[NH2+]CCN1CCn1ccc([N+](=O)[O-])n1 ZINC001328490931 885706408 /nfs/dbraw/zinc/70/64/08/885706408.db2.gz ZTILFUKPFFBGOQ-SNVBAGLBSA-N 1 0 297.315 -0.372 20 5 CBBDRO C[C@@H](C[NH3+])NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328773033 885809569 /nfs/dbraw/zinc/80/95/69/885809569.db2.gz SSDCYJHGJSXNRU-QMMMGPOBSA-N 1 0 292.295 -0.100 20 5 CBBDRO C[NH2+]C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001329300459 886002638 /nfs/dbraw/zinc/00/26/38/886002638.db2.gz SLAZLLGPIAUOPN-SSDOTTSWSA-N 1 0 253.262 -0.001 20 5 CBBDRO C[NH2+][C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001332414170 887268613 /nfs/dbraw/zinc/26/86/13/887268613.db2.gz TYHYVZQDZGRXNZ-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO C[NH+]1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC001332563925 887357247 /nfs/dbraw/zinc/35/72/47/887357247.db2.gz NNHMSXZSAWSPIV-UHFFFAOYSA-N 1 0 294.315 -0.610 20 5 CBBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339549782 889288997 /nfs/dbraw/zinc/28/89/97/889288997.db2.gz SLYJKHVLRRZHOE-VIFPVBQESA-N 1 0 296.331 -0.316 20 5 CBBDRO Cc1nn(C)c(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001342027011 889699020 /nfs/dbraw/zinc/69/90/20/889699020.db2.gz KHCZOYVIDXIFDX-MBTKJCJQSA-N 1 0 279.300 -0.073 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC001346492918 890303315 /nfs/dbraw/zinc/30/33/15/890303315.db2.gz OGLAZUDUTPPVDR-RXMQYKEDSA-N 1 0 281.194 -0.052 20 5 CBBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1CO ZINC001354593875 891595625 /nfs/dbraw/zinc/59/56/25/891595625.db2.gz OXPMVBKHVGEVQH-NSHDSACASA-N 1 0 279.296 -0.070 20 5 CBBDRO O=C(CC[NH2+]CC[N+](=O)[O-])NCc1ccccn1 ZINC001357127872 891852705 /nfs/dbraw/zinc/85/27/05/891852705.db2.gz XCKTUXSUVVFLEP-UHFFFAOYSA-N 1 0 252.274 -0.046 20 5 CBBDRO C[N@H+](CCO)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001455778726 914409996 /nfs/dbraw/zinc/40/99/96/914409996.db2.gz FKAGYPLWDYDISZ-UHFFFAOYSA-N 1 0 282.300 -0.169 20 5 CBBDRO CNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001506957700 921646678 /nfs/dbraw/zinc/64/66/78/921646678.db2.gz XRAWJBABBFKJFK-GHMZBOCLSA-N 1 0 298.343 -0.680 20 5 CBBDRO C[NH+](C)CCN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001440684826 911490811 /nfs/dbraw/zinc/49/08/11/911490811.db2.gz XOJSYMXFVPUBIJ-UHFFFAOYSA-N 1 0 296.331 -0.363 20 5 CBBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC001464883034 915024582 /nfs/dbraw/zinc/02/45/82/915024582.db2.gz RYWSIZLAHHQMOX-IJLUTSLNSA-N 1 0 284.360 -0.349 20 5 CBBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1c[nH]nc1[N+](=O)[O-] ZINC001468292415 915286666 /nfs/dbraw/zinc/28/66/66/915286666.db2.gz SWEFZYNAEPECEH-SECBINFHSA-N 1 0 297.315 -0.106 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001471373203 915584262 /nfs/dbraw/zinc/58/42/62/915584262.db2.gz JFOSFRDBSQPROA-LLVKDONJSA-N 1 0 283.288 -0.544 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC001473721612 915852158 /nfs/dbraw/zinc/85/21/58/915852158.db2.gz ALKNOSUCKQCOGC-BDAKNGLRSA-N 1 0 256.262 -0.781 20 5 CBBDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001473763023 915859363 /nfs/dbraw/zinc/85/93/63/915859363.db2.gz PXJKSWITVPXCFO-SECBINFHSA-N 1 0 267.289 -0.095 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)n1 ZINC001473894438 915881403 /nfs/dbraw/zinc/88/14/03/915881403.db2.gz XVNRYOPLHSHSJB-MNOVXSKESA-N 1 0 284.316 -0.286 20 5 CBBDRO C[N@H+](CCCO)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479770456 916171217 /nfs/dbraw/zinc/17/12/17/916171217.db2.gz NQXSYTZBNQXOLQ-NXEZZACHSA-N 1 0 259.306 -0.528 20 5 CBBDRO CCN(CC[NH2+]CCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482924144 917338036 /nfs/dbraw/zinc/33/80/36/917338036.db2.gz CDOJPTMLTGSQQS-VXGBXAGGSA-N 1 0 295.343 -0.014 20 5 CBBDRO CN(CC(C)(C)C[NH2+]CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485250484 918036045 /nfs/dbraw/zinc/03/60/45/918036045.db2.gz HITDFEKDXOPEEO-NXEZZACHSA-N 1 0 273.333 -0.282 20 5 CBBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCC1 ZINC001490193612 918864767 /nfs/dbraw/zinc/86/47/67/918864767.db2.gz USHNBPCAKQJRTI-GHMZBOCLSA-N 1 0 298.343 -0.678 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[NH+]2CCC1CC2 ZINC001514747960 922214591 /nfs/dbraw/zinc/21/45/91/922214591.db2.gz KXBVOQCTYIRAOC-SECBINFHSA-N 1 0 280.288 -0.603 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000274583955 352541362 /nfs/dbraw/zinc/54/13/62/352541362.db2.gz SXSGUYXWJVRBPU-UHFFFAOYSA-N 1 0 285.304 -0.330 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC([NH+](C)C)C2)n1 ZINC000271329926 191078094 /nfs/dbraw/zinc/07/80/94/191078094.db2.gz AWFDFVRYGAWMMB-UHFFFAOYSA-N 1 0 253.262 -0.286 20 5 CBBDRO CC(C)[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000092394802 180377088 /nfs/dbraw/zinc/37/70/88/180377088.db2.gz XTQCMHIDUSYWPG-MNOVXSKESA-N 1 0 272.305 -0.241 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000036278202 351390551 /nfs/dbraw/zinc/39/05/51/351390551.db2.gz DAINTQLOFXOEMY-UHFFFAOYSA-N 1 0 281.316 -0.432 20 5 CBBDRO O=C(CNC(=O)c1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000040507802 351415098 /nfs/dbraw/zinc/41/50/98/351415098.db2.gz ZEQIXJUFTMXWQQ-UHFFFAOYSA-N 1 0 292.295 -0.244 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015936 351497387 /nfs/dbraw/zinc/49/73/87/351497387.db2.gz KJQFNXQTNCGARP-UHFFFAOYSA-N 1 0 266.257 -0.714 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CO)CC2)c1 ZINC000075626586 351668885 /nfs/dbraw/zinc/66/88/85/351668885.db2.gz XQLYWIJFYHDBOG-GFCCVEGCSA-N 1 0 284.316 -0.144 20 5 CBBDRO CN1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000084086984 351716493 /nfs/dbraw/zinc/71/64/93/351716493.db2.gz TXYZCPDKVNRCBX-MWLCHTKSSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@@H](CO)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000086631474 351720211 /nfs/dbraw/zinc/72/02/11/351720211.db2.gz SVJSQCXZWBDCHG-SCZZXKLOSA-N 1 0 258.278 -0.630 20 5 CBBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC2C[NH2+]C2)cc1 ZINC000090289228 351739902 /nfs/dbraw/zinc/73/99/02/351739902.db2.gz FNNUKYOOAPXUGI-UHFFFAOYSA-N 1 0 271.298 -0.014 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCNC(=O)CC1 ZINC000090525904 351740955 /nfs/dbraw/zinc/74/09/55/351740955.db2.gz MOEXJSNWKQJDPU-UHFFFAOYSA-N 1 0 280.284 -0.422 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCOC2)c1 ZINC000109546708 351798399 /nfs/dbraw/zinc/79/83/99/351798399.db2.gz LQGWBGJYDBSGSU-KOLCDFICSA-N 1 0 270.289 -0.079 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000124324286 351855871 /nfs/dbraw/zinc/85/58/71/351855871.db2.gz JMXPEBDZMVWQFN-JTQLQIEISA-N 1 0 281.316 -0.352 20 5 CBBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000128544497 351866722 /nfs/dbraw/zinc/86/67/22/351866722.db2.gz ZFBPEIJYJDYRFR-GARJFASQSA-N 1 0 284.316 -0.099 20 5 CBBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000150755156 351931464 /nfs/dbraw/zinc/93/14/64/351931464.db2.gz OUBWGIAFGWRTPN-RYUDHWBXSA-N 1 0 294.311 -0.154 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000133025776 351897108 /nfs/dbraw/zinc/89/71/08/351897108.db2.gz LKLFNZVYFQUZRN-JTQLQIEISA-N 1 0 270.293 -0.309 20 5 CBBDRO C[NH2+][C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000134202488 351904694 /nfs/dbraw/zinc/90/46/94/351904694.db2.gz UZFSHWNICVLDPK-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO CC(C)[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658996 352049453 /nfs/dbraw/zinc/04/94/53/352049453.db2.gz RSKRPQLCJZKAAY-NSHDSACASA-N 1 0 272.305 -0.145 20 5 CBBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000173343310 352036732 /nfs/dbraw/zinc/03/67/32/352036732.db2.gz KQGGEECLPNTXGR-NXEZZACHSA-N 1 0 299.331 -0.358 20 5 CBBDRO C[C@H]1C(=O)N(C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000186934193 352133470 /nfs/dbraw/zinc/13/34/70/352133470.db2.gz RPWNIWADJOUSQK-ONGXEEELSA-N 1 0 297.315 -0.685 20 5 CBBDRO NC(=O)c1ccc(CN2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000179171297 352088633 /nfs/dbraw/zinc/08/86/33/352088633.db2.gz PGCQDIKYMJFMTI-GHMZBOCLSA-N 1 0 295.295 -0.379 20 5 CBBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000185130956 352114861 /nfs/dbraw/zinc/11/48/61/352114861.db2.gz GDIMCROPUZEUFC-FBIMIBRVSA-N 1 0 279.300 -0.013 20 5 CBBDRO C[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000190919038 352184857 /nfs/dbraw/zinc/18/48/57/352184857.db2.gz NDNZQPUZEQHOCY-VHSXEESVSA-N 1 0 272.305 -0.145 20 5 CBBDRO CN1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1=O ZINC000191086868 352186436 /nfs/dbraw/zinc/18/64/36/352186436.db2.gz NMWJJYNRNXZEBC-UHFFFAOYSA-N 1 0 294.311 -0.079 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195214658 352223920 /nfs/dbraw/zinc/22/39/20/352223920.db2.gz JNNWRLMATRHGAN-DTORHVGOSA-N 1 0 265.273 -0.531 20 5 CBBDRO Cn1c(C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000228748256 352265565 /nfs/dbraw/zinc/26/55/65/352265565.db2.gz IMBYTORLGRARQF-GFCCVEGCSA-N 1 0 284.316 -0.024 20 5 CBBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228861994 352265991 /nfs/dbraw/zinc/26/59/91/352265991.db2.gz ZFBPEIJYJDYRFR-GMTAPVOTSA-N 1 0 284.316 -0.099 20 5 CBBDRO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000231849562 352277969 /nfs/dbraw/zinc/27/79/69/352277969.db2.gz HVSMZXRAPYCNQJ-MWLCHTKSSA-N 1 0 299.331 -0.391 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000236537452 352290120 /nfs/dbraw/zinc/29/01/20/352290120.db2.gz NMUANVMADOYGAB-HTQZYQBOSA-N 1 0 298.221 -0.335 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[NH2+]CC1 ZINC000238142586 352314393 /nfs/dbraw/zinc/31/43/93/352314393.db2.gz WDMWSSWPVVNHOD-UHFFFAOYSA-N 1 0 280.284 -0.422 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCC[NH2+]C1 ZINC000238143807 352314464 /nfs/dbraw/zinc/31/44/64/352314464.db2.gz NOLYCPQVBJBOMK-VIFPVBQESA-N 1 0 267.289 -0.093 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246818811 352338759 /nfs/dbraw/zinc/33/87/59/352338759.db2.gz CCJMQDKFHNTXMF-AAEUAGOBSA-N 1 0 295.343 -0.068 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000249602981 352369890 /nfs/dbraw/zinc/36/98/90/352369890.db2.gz YWLVQTFFFGLTPC-JLLWLGSASA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261691222 352394116 /nfs/dbraw/zinc/39/41/16/352394116.db2.gz INVLLAOXZOCQJC-BDAKNGLRSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[NH2+][C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000261689395 352394411 /nfs/dbraw/zinc/39/44/11/352394411.db2.gz IFJCSOHYHHCKTK-MRVPVSSYSA-N 1 0 268.277 -0.603 20 5 CBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000270805809 352501965 /nfs/dbraw/zinc/50/19/65/352501965.db2.gz VMZJXYZDPNZQDL-MRVPVSSYSA-N 1 0 283.288 -0.232 20 5 CBBDRO C[C@@]1(C(N)=O)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000280820582 352598484 /nfs/dbraw/zinc/59/84/84/352598484.db2.gz USWZXVQKSIMFDJ-LLVKDONJSA-N 1 0 267.289 -0.011 20 5 CBBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000295492130 352706517 /nfs/dbraw/zinc/70/65/17/352706517.db2.gz OQJLZTJYLVXWJY-VIFPVBQESA-N 1 0 297.315 -0.106 20 5 CBBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000298619436 352714004 /nfs/dbraw/zinc/71/40/04/352714004.db2.gz OZYSNRWXXVQCCL-SECBINFHSA-N 1 0 297.315 -0.106 20 5 CBBDRO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000298868972 352716520 /nfs/dbraw/zinc/71/65/20/352716520.db2.gz SOTHFAFGPDLKLI-QMMMGPOBSA-N 1 0 255.278 -0.142 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000300698898 352734462 /nfs/dbraw/zinc/73/44/62/352734462.db2.gz PKTZYNWMZWIIKH-ADEWGFFLSA-N 1 0 284.316 -0.097 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000304380528 352746427 /nfs/dbraw/zinc/74/64/27/352746427.db2.gz YFEHPDRWCVORFL-PWSUYJOCSA-N 1 0 284.316 -0.144 20 5 CBBDRO COCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000312722060 352776059 /nfs/dbraw/zinc/77/60/59/352776059.db2.gz IOTBAUZUTCFUJE-NSHDSACASA-N 1 0 285.300 -0.304 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000330554249 352846762 /nfs/dbraw/zinc/84/67/62/352846762.db2.gz DERGVNAMQLBHQR-VIFPVBQESA-N 1 0 297.315 -0.269 20 5 CBBDRO NC(=O)C1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000152437683 188018575 /nfs/dbraw/zinc/01/85/75/188018575.db2.gz CYTLQWFGEZXSHK-SNVBAGLBSA-N 1 0 295.295 -0.058 20 5 CBBDRO COCC[NH2+]CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000152473015 188021050 /nfs/dbraw/zinc/02/10/50/188021050.db2.gz ITAADTJKRQZBMB-UHFFFAOYSA-N 1 0 299.331 -0.121 20 5 CBBDRO NC(=O)N[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342868748 353237238 /nfs/dbraw/zinc/23/72/38/353237238.db2.gz QSGLHYPHHVPZJL-MRVPVSSYSA-N 1 0 268.277 -0.466 20 5 CBBDRO CCC[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000343402853 353270397 /nfs/dbraw/zinc/27/03/97/353270397.db2.gz MPQKFJJHYRBZRU-UHFFFAOYSA-N 1 0 282.304 -0.260 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[NH+]1CCCC1 ZINC000349522439 353454923 /nfs/dbraw/zinc/45/49/23/353454923.db2.gz NAHNMUFHFOALSV-UHFFFAOYSA-N 1 0 268.277 -0.602 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352495765 353488003 /nfs/dbraw/zinc/48/80/03/353488003.db2.gz ONMSLSOQNNICLO-NSHDSACASA-N 1 0 294.359 -0.192 20 5 CBBDRO C[N@@H+]1CC[C@H](Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 ZINC000352910511 353510653 /nfs/dbraw/zinc/51/06/53/353510653.db2.gz DQGNKGVCJVSUSQ-QMMMGPOBSA-N 1 0 280.284 -0.193 20 5 CBBDRO [NH3+]CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262172182 137709064 /nfs/dbraw/zinc/70/90/64/137709064.db2.gz PCLYBFGHAXYZRL-UHFFFAOYSA-N 1 0 294.267 -0.605 20 5 CBBDRO CC[N@H+](C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354022482 353538820 /nfs/dbraw/zinc/53/88/20/353538820.db2.gz PJWHWOQRGNEBML-UHFFFAOYSA-N 1 0 256.266 -0.746 20 5 CBBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262110490 137707359 /nfs/dbraw/zinc/70/73/59/137707359.db2.gz ZZWFODCPXIXAMR-NXEZZACHSA-N 1 0 294.311 -0.048 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000354689420 353578301 /nfs/dbraw/zinc/57/83/01/353578301.db2.gz WNKBFQBSMIKHQY-JTQLQIEISA-N 1 0 269.261 -0.886 20 5 CBBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000355160568 353588502 /nfs/dbraw/zinc/58/85/02/353588502.db2.gz FXADWVZKVXORBR-SECBINFHSA-N 1 0 297.315 -0.153 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000358056227 353622236 /nfs/dbraw/zinc/62/22/36/353622236.db2.gz ZWVNSVALGUWFPQ-NSHDSACASA-N 1 0 268.273 -0.281 20 5 CBBDRO CC(C)(C(=O)N1CCO[C@H](C[NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000358499745 353648321 /nfs/dbraw/zinc/64/83/21/353648321.db2.gz RDIXQWFHRIEZKY-SNVBAGLBSA-N 1 0 297.315 -0.288 20 5 CBBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357900322 353612864 /nfs/dbraw/zinc/61/28/64/353612864.db2.gz VEBIYIYHIUWOCR-VIFPVBQESA-N 1 0 297.315 -0.221 20 5 CBBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000375072292 353753695 /nfs/dbraw/zinc/75/36/95/353753695.db2.gz VAKQJTVQYFZORH-IUCAKERBSA-N 1 0 285.279 -0.050 20 5 CBBDRO C[C@@H]1CC(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844325 353768102 /nfs/dbraw/zinc/76/81/02/353768102.db2.gz VGJXQIKPKVDCND-KOLCDFICSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844324 353768304 /nfs/dbraw/zinc/76/83/04/353768304.db2.gz VGJXQIKPKVDCND-GXSJLCMTSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408071590 353843675 /nfs/dbraw/zinc/84/36/75/353843675.db2.gz OBBLRIXXDNAFCG-DTWKUNHWSA-N 1 0 282.304 -0.263 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000408087473 353846487 /nfs/dbraw/zinc/84/64/87/353846487.db2.gz BBDDRQMZOYJMLF-SECBINFHSA-N 1 0 280.288 -0.507 20 5 CBBDRO COC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCC[NH2+]1 ZINC000423634102 354186429 /nfs/dbraw/zinc/18/64/29/354186429.db2.gz MKJCYFHQQAXYCF-NSHDSACASA-N 1 0 283.288 -0.184 20 5 CBBDRO Nc1c(C(=O)NC[C@@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423986613 354207217 /nfs/dbraw/zinc/20/72/17/354207217.db2.gz GCYKDQWBNLEZNT-QMMMGPOBSA-N 1 0 280.284 -0.105 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)[C@H]2CCCO2)c1 ZINC000447901819 354306753 /nfs/dbraw/zinc/30/67/53/354306753.db2.gz CWXKKFBJSDQPMO-GHMZBOCLSA-N 1 0 270.289 -0.079 20 5 CBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000449701492 354321597 /nfs/dbraw/zinc/32/15/97/354321597.db2.gz SPQWUHZJVIFOJP-VIFPVBQESA-N 1 0 293.327 -0.190 20 5 CBBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488810911 354427792 /nfs/dbraw/zinc/42/77/92/354427792.db2.gz WUCCSYUSPSLFCE-CKYFFXLPSA-N 1 0 284.316 -0.145 20 5 CBBDRO CC[C@]1(O)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194071 354499507 /nfs/dbraw/zinc/49/95/07/354499507.db2.gz NNGSRXUOCYYIJJ-RYUDHWBXSA-N 1 0 284.316 -0.001 20 5 CBBDRO [NH3+][C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN2C1=O ZINC000563431263 354704447 /nfs/dbraw/zinc/70/44/47/354704447.db2.gz LRHMKMCLEJQBOI-UWVGGRQHSA-N 1 0 277.284 -0.262 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000569358660 354842994 /nfs/dbraw/zinc/84/29/94/354842994.db2.gz FYQFGZBAIWBZBH-JGVFFNPUSA-N 1 0 265.273 -0.001 20 5 CBBDRO [NH3+][C@@H]1C[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702585 354878842 /nfs/dbraw/zinc/87/88/42/354878842.db2.gz NMXGHLKRVDNQGH-MWLCHTKSSA-N 1 0 294.315 -0.965 20 5 CBBDRO O=C(C[NH2+]C(CO)CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000573813557 354921733 /nfs/dbraw/zinc/92/17/33/354921733.db2.gz VBTAVUNZAXUAQE-UHFFFAOYSA-N 1 0 295.295 -0.573 20 5 CBBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C(CO)CO ZINC000574925394 354932389 /nfs/dbraw/zinc/93/23/89/354932389.db2.gz ZESNWSYWUMTZQX-UHFFFAOYSA-N 1 0 256.258 -0.084 20 5 CBBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000578748381 354953783 /nfs/dbraw/zinc/95/37/83/354953783.db2.gz YMYYWOSJRICYLW-UHFFFAOYSA-N 1 0 286.313 -0.026 20 5 CBBDRO O=C(NCCNc1cc[nH+]cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000584827600 355038906 /nfs/dbraw/zinc/03/89/06/355038906.db2.gz RXXCTYBCCMVWCO-UHFFFAOYSA-N 1 0 276.256 -0.023 20 5 CBBDRO Cc1nn(C)c(C(=O)N[C@@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000588863761 355061952 /nfs/dbraw/zinc/06/19/52/355061952.db2.gz IXRHRPARYQZABG-MRVPVSSYSA-N 1 0 285.304 -0.711 20 5 CBBDRO CCN1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000591765802 355113152 /nfs/dbraw/zinc/11/31/52/355113152.db2.gz IUHGJWGZRPYNKR-GHMZBOCLSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000591985800 355123839 /nfs/dbraw/zinc/12/38/39/355123839.db2.gz SJNKJQXZQWJIKC-SECBINFHSA-N 1 0 294.315 -0.059 20 5 CBBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195155 355139161 /nfs/dbraw/zinc/13/91/61/355139161.db2.gz JKKBIOBMKWRSQW-KOLCDFICSA-N 1 0 298.299 -0.353 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000592307353 355147365 /nfs/dbraw/zinc/14/73/65/355147365.db2.gz FYVNEPKQNNZGFK-XPUUQOCRSA-N 1 0 269.261 -0.494 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000592307350 355147486 /nfs/dbraw/zinc/14/74/86/355147486.db2.gz FYVNEPKQNNZGFK-HTRCEHHLSA-N 1 0 269.261 -0.494 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000592475522 355156407 /nfs/dbraw/zinc/15/64/07/355156407.db2.gz LWIYOCAHBALZFA-ZJUUUORDSA-N 1 0 269.305 -0.161 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000592489373 355157248 /nfs/dbraw/zinc/15/72/48/355157248.db2.gz RPFFIGVKTHMCBP-JTQLQIEISA-N 1 0 297.315 -0.372 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000592985022 355188635 /nfs/dbraw/zinc/18/86/35/355188635.db2.gz ZZVDNRKPXPQWIH-NSHDSACASA-N 1 0 297.315 -0.372 20 5 CBBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000593066351 355191433 /nfs/dbraw/zinc/19/14/33/355191433.db2.gz MJPLBPZSCVIXBW-MWLCHTKSSA-N 1 0 270.289 -0.127 20 5 CBBDRO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C[NH3+] ZINC000593917059 355229995 /nfs/dbraw/zinc/22/99/95/355229995.db2.gz UUMXGWHMGIYERQ-VXNVDRBHSA-N 1 0 283.288 -0.246 20 5 CBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O ZINC000594873897 355266193 /nfs/dbraw/zinc/26/61/93/355266193.db2.gz QOMRCZFUNIBJMN-HTQZYQBOSA-N 1 0 294.267 -0.428 20 5 CBBDRO CN(C1C[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595112613 355271629 /nfs/dbraw/zinc/27/16/29/355271629.db2.gz WEQNAODUQOGPFW-UHFFFAOYSA-N 1 0 272.286 -0.418 20 5 CBBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595122808 355272487 /nfs/dbraw/zinc/27/24/87/355272487.db2.gz VMKJRIKZLVOCIV-SSDOTTSWSA-N 1 0 274.302 -0.124 20 5 CBBDRO C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1[NH3+] ZINC000595229164 355274008 /nfs/dbraw/zinc/27/40/08/355274008.db2.gz VCIRDASNWQILTO-KOLCDFICSA-N 1 0 294.311 -0.048 20 5 CBBDRO [NH3+][C@@H](CO)Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594652774 355256738 /nfs/dbraw/zinc/25/67/38/355256738.db2.gz OGVHKYMQDPISMU-SSDOTTSWSA-N 1 0 279.256 -0.257 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC12CC(C1)C[NH2+]2 ZINC000595987176 355335500 /nfs/dbraw/zinc/33/55/00/355335500.db2.gz JXHCVUJCBFPHOL-UHFFFAOYSA-N 1 0 292.295 -0.375 20 5 CBBDRO [NH3+]CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CO ZINC000595903675 355316494 /nfs/dbraw/zinc/31/64/94/355316494.db2.gz ZQFKSTICZFQPKJ-LBPRGKRZSA-N 1 0 269.301 -0.291 20 5 CBBDRO [NH3+]CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000595903674 355316852 /nfs/dbraw/zinc/31/68/52/355316852.db2.gz ZQFKSTICZFQPKJ-GFCCVEGCSA-N 1 0 269.301 -0.291 20 5 CBBDRO [NH3+]CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000595903635 355316859 /nfs/dbraw/zinc/31/68/59/355316859.db2.gz ZCVPNMBVGQAMLK-CYBMUJFWSA-N 1 0 283.328 -0.249 20 5 CBBDRO [NH3+]CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000595903636 355316884 /nfs/dbraw/zinc/31/68/84/355316884.db2.gz ZCVPNMBVGQAMLK-ZDUSSCGKSA-N 1 0 283.328 -0.249 20 5 CBBDRO [NH3+]CC12CC(C1)CN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000595965323 355330640 /nfs/dbraw/zinc/33/06/40/355330640.db2.gz CNGBUIFLPCHXNH-UHFFFAOYSA-N 1 0 265.273 -0.259 20 5 CBBDRO C[C@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC[NH2+]C1 ZINC000595992007 355337112 /nfs/dbraw/zinc/33/71/12/355337112.db2.gz NEXLBFXJOOFZTF-JTQLQIEISA-N 1 0 253.262 -0.341 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC12CC(C1)C[NH2+]2 ZINC000595268246 355277085 /nfs/dbraw/zinc/27/70/85/355277085.db2.gz FVRLVWXFWBPWAJ-UHFFFAOYSA-N 1 0 294.315 -0.158 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOCCF)c1 ZINC000596070520 355340860 /nfs/dbraw/zinc/34/08/60/355340860.db2.gz QMUZTUUTMQUZFZ-JTQLQIEISA-N 1 0 276.268 -0.272 20 5 CBBDRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914564 355456203 /nfs/dbraw/zinc/45/62/03/355456203.db2.gz HJWDXSVKUMJHCB-SSDOTTSWSA-N 1 0 266.257 -0.003 20 5 CBBDRO CN(CC[NH3+])C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598916313 355456262 /nfs/dbraw/zinc/45/62/62/355456262.db2.gz XSFJAWYRFLHZTK-UHFFFAOYSA-N 1 0 266.257 -0.050 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[NH2+]CC2)n1 ZINC000599095250 355463389 /nfs/dbraw/zinc/46/33/89/355463389.db2.gz CIKVGIWVJOXZPI-UHFFFAOYSA-N 1 0 289.317 -0.688 20 5 CBBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097727 355463773 /nfs/dbraw/zinc/46/37/73/355463773.db2.gz LXUSTELOEWRECY-ZETCQYMHSA-N 1 0 289.317 -0.689 20 5 CBBDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599105428 355464484 /nfs/dbraw/zinc/46/44/84/355464484.db2.gz CIKNWYGEQGSNTG-RITPCOANSA-N 1 0 277.306 -0.658 20 5 CBBDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098703 355464507 /nfs/dbraw/zinc/46/45/07/355464507.db2.gz YPPGHXXMGDFKQD-ZETCQYMHSA-N 1 0 291.333 -0.410 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)n1 ZINC000599101516 355464512 /nfs/dbraw/zinc/46/45/12/355464512.db2.gz QMTUPKCBCPHAPM-SECBINFHSA-N 1 0 289.317 -0.641 20 5 CBBDRO C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000599320776 355479840 /nfs/dbraw/zinc/47/98/40/355479840.db2.gz GARZTGVDWBRRID-ZETCQYMHSA-N 1 0 291.333 -0.443 20 5 CBBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000599989217 355522587 /nfs/dbraw/zinc/52/25/87/355522587.db2.gz WLMXKEKLESHAHD-GDGBQDQQSA-N 1 0 279.300 -0.190 20 5 CBBDRO O=[N+]([O-])c1ccn(CCN2CCC([NH2+]CCO)CC2)n1 ZINC000601327944 355586194 /nfs/dbraw/zinc/58/61/94/355586194.db2.gz AEVIHYUDNIUJNK-UHFFFAOYSA-N 1 0 283.332 -0.162 20 5 CBBDRO CO[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000600761824 355566200 /nfs/dbraw/zinc/56/62/00/355566200.db2.gz SLFMSWMOZRHMRC-FBIMIBRVSA-N 1 0 270.289 -0.081 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000600807475 355566675 /nfs/dbraw/zinc/56/66/75/355566675.db2.gz HPSVCSDIFGLSFQ-QMMMGPOBSA-N 1 0 268.273 -0.281 20 5 CBBDRO Cn1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602495846 355654011 /nfs/dbraw/zinc/65/40/11/355654011.db2.gz XXTQEJHTVVXWOV-RKDXNWHRSA-N 1 0 251.290 -0.021 20 5 CBBDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602699813 355667869 /nfs/dbraw/zinc/66/78/69/355667869.db2.gz RQTXEGVWRFDJRC-MRVPVSSYSA-N 1 0 267.289 -0.104 20 5 CBBDRO Cn1cc(CN2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603429716 355715031 /nfs/dbraw/zinc/71/50/31/355715031.db2.gz PPUYHMFFXANWKR-SECBINFHSA-N 1 0 255.278 -0.512 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCO ZINC000603824335 355719539 /nfs/dbraw/zinc/71/95/39/355719539.db2.gz DFGPRBQLJNXLBE-VIFPVBQESA-N 1 0 256.258 -0.084 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000609531296 355769924 /nfs/dbraw/zinc/76/99/24/355769924.db2.gz NJQSGJQSFRSCAK-LLVKDONJSA-N 1 0 295.343 -0.091 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000609531299 355770300 /nfs/dbraw/zinc/77/03/00/355770300.db2.gz NJQSGJQSFRSCAK-NSHDSACASA-N 1 0 295.343 -0.091 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000610336110 355777738 /nfs/dbraw/zinc/77/77/38/355777738.db2.gz KHAMQPCWBTWWGP-CKYFFXLPSA-N 1 0 281.316 -0.697 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000610336113 355777870 /nfs/dbraw/zinc/77/78/70/355777870.db2.gz KHAMQPCWBTWWGP-UMNHJUIQSA-N 1 0 281.316 -0.697 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000574037257 334986647 /nfs/dbraw/zinc/98/66/47/334986647.db2.gz JSAVBXOPMYYDJF-PWSUYJOCSA-N 1 0 279.300 -0.093 20 5 CBBDRO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973308 215782723 /nfs/dbraw/zinc/78/27/23/215782723.db2.gz PKHWYFCBFFOZFG-DVVUODLYSA-N 1 0 270.289 -0.393 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[NH2+]C1 ZINC000178485145 189120120 /nfs/dbraw/zinc/12/01/20/189120120.db2.gz DIGRMWRHPOZVGE-VIFPVBQESA-N 1 0 267.289 -0.093 20 5 CBBDRO CNC(=O)CC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179208188 189177673 /nfs/dbraw/zinc/17/76/73/189177673.db2.gz CDQVWNBFROZFOP-UHFFFAOYSA-N 1 0 282.300 -0.176 20 5 CBBDRO C[NH+](C)[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330539962 202942888 /nfs/dbraw/zinc/94/28/88/202942888.db2.gz ZCEGWAOFPPRPDQ-QMMMGPOBSA-N 1 0 268.277 -0.651 20 5 CBBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000330588365 203007989 /nfs/dbraw/zinc/00/79/89/203007989.db2.gz YPTNLUSBWOLVGR-VIFPVBQESA-N 1 0 297.315 -0.221 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000228754480 189795290 /nfs/dbraw/zinc/79/52/90/189795290.db2.gz QQKUZKDFJNLSKF-NSHDSACASA-N 1 0 285.304 -0.780 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331623636 204020965 /nfs/dbraw/zinc/02/09/65/204020965.db2.gz HCOBVCJEAAOKIO-UWVGGRQHSA-N 1 0 294.315 -0.071 20 5 CBBDRO COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363375180 373489321 /nfs/dbraw/zinc/48/93/21/373489321.db2.gz QAZMLQCCDCGHQA-MNOVXSKESA-N 1 0 271.317 -0.168 20 5 CBBDRO Cn1cc([C@@H](CO)[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000494803999 373742552 /nfs/dbraw/zinc/74/25/52/373742552.db2.gz ABKQHVXUTRAURO-SNVBAGLBSA-N 1 0 280.288 -0.152 20 5 CBBDRO C[N@@H+]1CC[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000532688207 374170687 /nfs/dbraw/zinc/17/06/87/374170687.db2.gz ADYLJEPRYZQMHB-SECBINFHSA-N 1 0 267.289 -0.141 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000561784838 374302223 /nfs/dbraw/zinc/30/22/23/374302223.db2.gz NAQOLDHVJGWQRK-CMPLNLGQSA-N 1 0 297.311 -0.568 20 5 CBBDRO Cc1nn(C)c(C(=O)NCCOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000345927122 217749902 /nfs/dbraw/zinc/74/99/02/217749902.db2.gz IGTOSFXAVDPRDJ-UHFFFAOYSA-N 1 0 299.331 -0.055 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000356208534 248214373 /nfs/dbraw/zinc/21/43/73/248214373.db2.gz DYZADRBFANCGIF-SECBINFHSA-N 1 0 297.315 -0.269 20 5 CBBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356926267 248301044 /nfs/dbraw/zinc/30/10/44/248301044.db2.gz SQLGKBIEJOVXFQ-VHSXEESVSA-N 1 0 294.311 -0.035 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357458083 248364109 /nfs/dbraw/zinc/36/41/09/248364109.db2.gz XLLYEJHATUEVFW-LBPRGKRZSA-N 1 0 297.315 -0.187 20 5 CBBDRO COC[C@](C)([NH3+])CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000265078982 190156171 /nfs/dbraw/zinc/15/61/71/190156171.db2.gz ZOZQRGCWYFWXRH-SECBINFHSA-N 1 0 256.266 -0.257 20 5 CBBDRO COC[C@@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000265283706 190171693 /nfs/dbraw/zinc/17/16/93/190171693.db2.gz ZWALFRSZSFSSSA-NSHDSACASA-N 1 0 283.288 -0.136 20 5 CBBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347003559 218089482 /nfs/dbraw/zinc/08/94/82/218089482.db2.gz GKQVPKKXYFXKIE-SNVBAGLBSA-N 1 0 294.315 -0.119 20 5 CBBDRO CC(C)[C@@](C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000289472257 197363743 /nfs/dbraw/zinc/36/37/43/197363743.db2.gz ZCLQSGFDRKNHDB-ZYHUDNBSSA-N 1 0 299.331 -0.358 20 5 CBBDRO CC(C)[C@](C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000289472252 197363501 /nfs/dbraw/zinc/36/35/01/197363501.db2.gz ZCLQSGFDRKNHDB-JQWIXIFHSA-N 1 0 299.331 -0.358 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000278717493 194119033 /nfs/dbraw/zinc/11/90/33/194119033.db2.gz KMLDZBBXBYPQCP-WXHSDQCUSA-N 1 0 298.295 -0.628 20 5 CBBDRO CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000267092237 190303076 /nfs/dbraw/zinc/30/30/76/190303076.db2.gz IRBDWTDECBMUHQ-UHFFFAOYSA-N 1 0 255.278 -0.189 20 5 CBBDRO [NH3+]CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000428822775 208100751 /nfs/dbraw/zinc/10/07/51/208100751.db2.gz YAQDMYVCGQMPIX-UHFFFAOYSA-N 1 0 267.289 -0.011 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC1=CC[NH2+]CC1 ZINC000427604816 208066528 /nfs/dbraw/zinc/06/65/28/208066528.db2.gz SKMPIDUACLHURH-UHFFFAOYSA-N 1 0 265.273 -0.173 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[NH2+]C1 ZINC000428655963 208094478 /nfs/dbraw/zinc/09/44/78/208094478.db2.gz OAOMKZRVUWBEFO-VIFPVBQESA-N 1 0 267.289 -0.032 20 5 CBBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429521314 208124225 /nfs/dbraw/zinc/12/42/25/208124225.db2.gz ZHFKLQSVWBKNSR-QMMMGPOBSA-N 1 0 268.277 -0.603 20 5 CBBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000429178612 208114436 /nfs/dbraw/zinc/11/44/36/208114436.db2.gz ULHUGBRHNSEHFC-UHFFFAOYSA-N 1 0 255.278 -0.011 20 5 CBBDRO CCC[N@@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429180426 208114546 /nfs/dbraw/zinc/11/45/46/208114546.db2.gz XZTOQLUODGPZSO-SNVBAGLBSA-N 1 0 285.304 -0.651 20 5 CBBDRO CN(CCn1ccc([N+](=O)[O-])n1)CC(=O)N1CC[NH2+]CC1 ZINC000430620719 208168927 /nfs/dbraw/zinc/16/89/27/208168927.db2.gz BNUQCRBSMRZPTD-UHFFFAOYSA-N 1 0 296.331 -0.845 20 5 CBBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000432516990 208225241 /nfs/dbraw/zinc/22/52/41/208225241.db2.gz YMLLPEBMEMYEEM-GXSJLCMTSA-N 1 0 294.311 -0.129 20 5 CBBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000432525457 208227967 /nfs/dbraw/zinc/22/79/67/208227967.db2.gz HUBKPESWBGIUOQ-PSASIEDQSA-N 1 0 267.289 -0.095 20 5 CBBDRO C[C@@H]1[NH2+]CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1C ZINC000434672746 208264075 /nfs/dbraw/zinc/26/40/75/208264075.db2.gz ZLVFBTOWZHVGEA-YUMQZZPRSA-N 1 0 268.277 -0.605 20 5 CBBDRO CCn1cc(S(=O)(=O)N(C)CC[NH2+]C)c([N+](=O)[O-])n1 ZINC000440828543 208345512 /nfs/dbraw/zinc/34/55/12/208345512.db2.gz UQJSDMQMIINABM-UHFFFAOYSA-N 1 0 291.333 -0.349 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)C[NH3+] ZINC000441609171 208351421 /nfs/dbraw/zinc/35/14/21/208351421.db2.gz IXEPDDLIOPBFMD-ZETCQYMHSA-N 1 0 255.278 -0.189 20 5 CBBDRO CC(C)[N@H+](C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353938650 220420406 /nfs/dbraw/zinc/42/04/06/220420406.db2.gz IFSZVGJQGKWODF-UHFFFAOYSA-N 1 0 270.293 -0.357 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC000515054428 285189539 /nfs/dbraw/zinc/18/95/39/285189539.db2.gz HPNPLHJLLPPWMF-LLVKDONJSA-N 1 0 280.288 -0.362 20 5 CBBDRO C[C@@H](C[NH+](C)C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000287221193 196806544 /nfs/dbraw/zinc/80/65/44/196806544.db2.gz OOVSDSIKGMWPPK-QMMMGPOBSA-N 1 0 255.278 -0.142 20 5 CBBDRO C[C@H](CO)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000284804304 196134270 /nfs/dbraw/zinc/13/42/70/196134270.db2.gz OUMRRMWTKFTDOE-PSASIEDQSA-N 1 0 258.278 -0.535 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CC1 ZINC000285667058 196359717 /nfs/dbraw/zinc/35/97/17/196359717.db2.gz ZKWFLLDQFRPBMZ-SNVBAGLBSA-N 1 0 270.289 -0.391 20 5 CBBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]2C1 ZINC000285751239 196387430 /nfs/dbraw/zinc/38/74/30/196387430.db2.gz LMHDYKWURQAWEF-VHSXEESVSA-N 1 0 295.299 -0.137 20 5 CBBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000236639629 544506796 /nfs/dbraw/zinc/50/67/96/544506796.db2.gz JRQNKMVYDSZLNI-QMMMGPOBSA-N 1 0 270.293 -0.324 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000358342515 419894701 /nfs/dbraw/zinc/89/47/01/419894701.db2.gz SCFUJUXLAZRQKZ-JTQLQIEISA-N 1 0 268.277 -0.555 20 5 CBBDRO O=[N+]([O-])c1cnn(CCN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359276038 419953430 /nfs/dbraw/zinc/95/34/30/419953430.db2.gz LRPYBUMXQAPDBD-AOOOYVTPSA-N 1 0 251.290 -0.058 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368205889 420127350 /nfs/dbraw/zinc/12/73/50/420127350.db2.gz YRPSACWZPZWPAU-YUMQZZPRSA-N 1 0 271.252 -0.393 20 5 CBBDRO Cc1nn(C)c(NC[C@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000394759847 420211609 /nfs/dbraw/zinc/21/16/09/420211609.db2.gz DIKYGYBWCGYWBV-SECBINFHSA-N 1 0 268.321 -0.048 20 5 CBBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH3+] ZINC000428772658 420268608 /nfs/dbraw/zinc/26/86/08/420268608.db2.gz NCZSJQCOYDFBIM-QMMMGPOBSA-N 1 0 284.320 -0.098 20 5 CBBDRO O=C(CC[NH2+]C(CO)CO)Nc1ccccc1[N+](=O)[O-] ZINC000517030215 420369939 /nfs/dbraw/zinc/36/99/39/420369939.db2.gz JUYWGIXKOABGDO-UHFFFAOYSA-N 1 0 283.284 -0.134 20 5 CBBDRO CNc1nccc(C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000553190229 420426531 /nfs/dbraw/zinc/42/65/31/420426531.db2.gz HQZLSGAGVYPILN-UHFFFAOYSA-N 1 0 267.289 0.323 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000572899092 420457959 /nfs/dbraw/zinc/45/79/59/420457959.db2.gz SKPUCRIMGUSSPZ-LBPRGKRZSA-N 1 0 295.299 -0.632 20 5 CBBDRO CN(CCC[NH+](C)C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000596425152 420488334 /nfs/dbraw/zinc/48/83/34/420488334.db2.gz NCQXMKIQOSPROP-UHFFFAOYSA-N 1 0 297.363 -0.316 20 5 CBBDRO C[NH+](C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000596244519 420488417 /nfs/dbraw/zinc/48/84/17/420488417.db2.gz RCVPEFQCNHPUNR-LURJTMIESA-N 1 0 256.266 -0.699 20 5 CBBDRO CN1CCOC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000599159415 420491513 /nfs/dbraw/zinc/49/15/13/420491513.db2.gz BNGPQILJIROJDS-VIFPVBQESA-N 1 0 292.299 0.380 20 5 CBBDRO Cn1c(C(=O)NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000394067535 260241240 /nfs/dbraw/zinc/24/12/40/260241240.db2.gz JPZHSPONKFTMAS-SECBINFHSA-N 1 0 281.316 -0.433 20 5 CBBDRO CCC[NH2+]CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000236775342 276265976 /nfs/dbraw/zinc/26/59/76/276265976.db2.gz IUKJOJSSTAJXGD-UHFFFAOYSA-N 1 0 255.278 -0.093 20 5 CBBDRO O=C1C[C@@H]([NH2+]CCO)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000570859725 327627893 /nfs/dbraw/zinc/62/78/93/327627893.db2.gz FPUMAARBZLHSCZ-SNVBAGLBSA-N 1 0 279.252 -0.191 20 5 CBBDRO Cn1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000213173345 326899895 /nfs/dbraw/zinc/89/98/95/326899895.db2.gz MQQVBMFVDPOWGC-LLVKDONJSA-N 1 0 280.288 -0.325 20 5 CBBDRO [NH3+][C@@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000569139741 327038320 /nfs/dbraw/zinc/03/83/20/327038320.db2.gz SSYXZIPCOVKQMS-WCBMZHEXSA-N 1 0 295.274 -0.123 20 5 CBBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000573923415 327273036 /nfs/dbraw/zinc/27/30/36/327273036.db2.gz QTGILBJZQRWBFZ-DTWKUNHWSA-N 1 0 282.300 -0.002 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000560633299 327332802 /nfs/dbraw/zinc/33/28/02/327332802.db2.gz CFMHABDKEYNWGI-UWVGGRQHSA-N 1 0 296.283 -0.558 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)CO)c1 ZINC000561383140 327390481 /nfs/dbraw/zinc/39/04/81/327390481.db2.gz WXPCMEXYDPEBBB-WDEREUQCSA-N 1 0 286.284 -0.723 20 5 CBBDRO C[C@H]1C[NH2+]CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000569843866 327551657 /nfs/dbraw/zinc/55/16/57/327551657.db2.gz XBYVXMLBXCZKOT-ZETCQYMHSA-N 1 0 253.262 -0.238 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000571879949 329927746 /nfs/dbraw/zinc/92/77/46/329927746.db2.gz DFGPCMAMSUVPNM-KNVOCYPGSA-N 1 0 251.246 -0.391 20 5 CBBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000564188825 333240622 /nfs/dbraw/zinc/24/06/22/333240622.db2.gz PUQHZCLKJOXOKF-QMMMGPOBSA-N 1 0 283.288 -0.232 20 5 CBBDRO O=c1c([N+](=O)[O-])cccn1CCN1CC[NH2+]CC1 ZINC000568996788 334850157 /nfs/dbraw/zinc/85/01/57/334850157.db2.gz BIOUWVSTQRHPCB-UHFFFAOYSA-N 1 0 252.274 -0.338 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H]1O ZINC000576656624 335231985 /nfs/dbraw/zinc/23/19/85/335231985.db2.gz SVVIZACBMRRLTH-UWVGGRQHSA-N 1 0 296.283 -0.558 20 5 CBBDRO COC(=O)CC1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000581075720 336004785 /nfs/dbraw/zinc/00/47/85/336004785.db2.gz XLCVOEPBKYFXGX-SNVBAGLBSA-N 1 0 298.299 -0.163 20 5 CBBDRO Cc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000581380852 336065877 /nfs/dbraw/zinc/06/58/77/336065877.db2.gz HGWCRSKCBLGCBF-IUCAKERBSA-N 1 0 292.299 -0.559 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000581879276 336157417 /nfs/dbraw/zinc/15/74/17/336157417.db2.gz AXDYNGMHVZPOJS-SNVBAGLBSA-N 1 0 297.315 -0.406 20 5 CBBDRO Cc1nccn1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000386388677 336172200 /nfs/dbraw/zinc/17/22/00/336172200.db2.gz SYHXQEOTHJRMSB-GFCCVEGCSA-N 1 0 294.315 -0.053 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CCO)C2CC2)c1 ZINC000763060450 582319326 /nfs/dbraw/zinc/31/93/26/582319326.db2.gz UMCGJSLDDLGMCE-NEPJUHHUSA-N 1 0 284.316 -0.097 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)C2CC2)c1 ZINC000763068666 582319405 /nfs/dbraw/zinc/31/94/05/582319405.db2.gz MMQDUQBVIMXKKD-QWRGUYRKSA-N 1 0 270.289 -0.487 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000775414537 582352540 /nfs/dbraw/zinc/35/25/40/582352540.db2.gz NUMOVBNDMKZILG-SECBINFHSA-N 1 0 288.329 -0.042 20 5 CBBDRO O=C1C[C@]2(CCN(Cn3nccc3[N+](=O)[O-])C2)CN1 ZINC000788383561 582385865 /nfs/dbraw/zinc/38/58/65/582385865.db2.gz RFIRZPVTMIGQFH-LLVKDONJSA-N 1 0 265.273 -0.039 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849764 582410711 /nfs/dbraw/zinc/41/07/11/582410711.db2.gz ADBUUNHFRSODGK-IUCAKERBSA-N 1 0 295.299 -0.089 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@H+]1C ZINC000830136453 582921954 /nfs/dbraw/zinc/92/19/54/582921954.db2.gz XZPUZTWHXUEIJR-SECBINFHSA-N 1 0 267.289 -0.080 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000834570026 583131836 /nfs/dbraw/zinc/13/18/36/583131836.db2.gz XILNVJZJEVEDAV-FOGDFJRCSA-N 1 0 271.317 -0.433 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839605124 583156886 /nfs/dbraw/zinc/15/68/86/583156886.db2.gz JCZRKHNBUPKMLK-LNFKQOIKSA-N 1 0 269.301 -0.369 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000839666823 583157097 /nfs/dbraw/zinc/15/70/97/583157097.db2.gz UHYLEGFYOBBUKV-DDHJBXDOSA-N 1 0 283.328 -0.291 20 5 CBBDRO O=C(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NCCO ZINC000843070589 583199620 /nfs/dbraw/zinc/19/96/20/583199620.db2.gz DMLZSFYTOPZWER-LLVKDONJSA-N 1 0 283.284 -0.674 20 5 CBBDRO C[NH2+]C[C@@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843081719 583200756 /nfs/dbraw/zinc/20/07/56/583200756.db2.gz UQTALSYGTDQZQI-NEPJUHHUSA-N 1 0 269.301 -0.202 20 5 CBBDRO CNC(=O)[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843109839 583201960 /nfs/dbraw/zinc/20/19/60/583201960.db2.gz HFVUUXZECYCNJO-QWRGUYRKSA-N 1 0 283.284 -0.675 20 5 CBBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854354683 583600379 /nfs/dbraw/zinc/60/03/79/583600379.db2.gz UFQZFHQJYUGUSY-HBNTYKKESA-N 1 0 268.317 -0.842 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854463481 583603876 /nfs/dbraw/zinc/60/38/76/583603876.db2.gz BZSBIOYWJAKVCQ-VIFPVBQESA-N 1 0 261.322 -0.139 20 5 CBBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854642085 583614135 /nfs/dbraw/zinc/61/41/35/583614135.db2.gz INQDIGKOUJSKNV-KXNHARMFSA-N 1 0 283.328 -0.027 20 5 CBBDRO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000854945917 583629509 /nfs/dbraw/zinc/62/95/09/583629509.db2.gz WDRHHQKVRLSLAA-UHFFFAOYSA-N 1 0 269.261 -0.205 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861720315 583781277 /nfs/dbraw/zinc/78/12/77/583781277.db2.gz XVDNSIFNMFJXHP-LMLFDSFASA-N 1 0 269.301 -0.681 20 5 CBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862649378 583814025 /nfs/dbraw/zinc/81/40/25/583814025.db2.gz XXVYKCMCTILMGV-KXUCPTDWSA-N 1 0 284.316 -0.892 20 5 CBBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863319726 583837461 /nfs/dbraw/zinc/83/74/61/583837461.db2.gz FGBUOEXPMTVGOH-SECBINFHSA-N 1 0 295.299 -0.632 20 5 CBBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863321518 583837986 /nfs/dbraw/zinc/83/79/86/583837986.db2.gz YINWSPCGXAWFRB-SNVBAGLBSA-N 1 0 294.311 -0.027 20 5 CBBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000887935453 584478293 /nfs/dbraw/zinc/47/82/93/584478293.db2.gz XVNDAVQDMPPQBO-SKDRFNHKSA-N 1 0 294.315 -0.404 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000895010870 584669605 /nfs/dbraw/zinc/66/96/05/584669605.db2.gz XBJOIEYONYXCET-LLVKDONJSA-N 1 0 269.305 -0.169 20 5 CBBDRO COC[C@@H]1C[NH2+]CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000903881008 584903702 /nfs/dbraw/zinc/90/37/02/584903702.db2.gz ASBJOXDMBDFLIQ-JTQLQIEISA-N 1 0 269.305 -0.252 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[NH+]1CCC1 ZINC000935045010 659816332 /nfs/dbraw/zinc/81/63/32/659816332.db2.gz CSRXSXJQIYSFCT-UHFFFAOYSA-N 1 0 267.289 -0.078 20 5 CBBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+](CCO)CCO)cc1 ZINC000062350980 656033548 /nfs/dbraw/zinc/03/35/48/656033548.db2.gz AEUKUVROASZEFX-GFCCVEGCSA-N 1 0 270.285 -0.085 20 5 CBBDRO Cc1nn(C)c(NC[C@H](O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000717391828 656228188 /nfs/dbraw/zinc/22/81/88/656228188.db2.gz HKDFBXQALRBQKN-QMMMGPOBSA-N 1 0 257.294 -0.029 20 5 CBBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCC[N+](=O)[O-] ZINC000905088716 656337010 /nfs/dbraw/zinc/33/70/10/656337010.db2.gz KJSPOPYOVWJQSP-NSHDSACASA-N 1 0 272.349 -0.205 20 5 CBBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCC[N+](=O)[O-] ZINC000905088711 656337106 /nfs/dbraw/zinc/33/71/06/656337106.db2.gz KJSPOPYOVWJQSP-LLVKDONJSA-N 1 0 272.349 -0.205 20 5 CBBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000905447320 656357466 /nfs/dbraw/zinc/35/74/66/656357466.db2.gz QCSCXHNYRDVBJO-CYBMUJFWSA-N 1 0 286.376 -0.351 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cn(CC[NH+]2CCCC2)c1=O ZINC000915668727 657747479 /nfs/dbraw/zinc/74/74/79/657747479.db2.gz OEGPWKSAKAFWFL-UHFFFAOYSA-N 1 0 280.284 -0.049 20 5 CBBDRO Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139178 658017021 /nfs/dbraw/zinc/01/70/21/658017021.db2.gz VGCTZQGIWWRBCS-YJFSRANCSA-N 1 0 294.315 -0.783 20 5 CBBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140026 658017321 /nfs/dbraw/zinc/01/73/21/658017321.db2.gz VBSFHCZTAZWXAO-KHUVANEUSA-N 1 0 297.340 -0.060 20 5 CBBDRO CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923425424 658273915 /nfs/dbraw/zinc/27/39/15/658273915.db2.gz MYYRACBLOVWVSI-ZYHUDNBSSA-N 1 0 283.332 -0.164 20 5 CBBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000928567520 659048504 /nfs/dbraw/zinc/04/85/04/659048504.db2.gz QBBKNRPBJOXJFC-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC[N+](=O)[O-])CC1 ZINC000929847612 659181905 /nfs/dbraw/zinc/18/19/05/659181905.db2.gz XXJQFZNLHBMORU-LLVKDONJSA-N 1 0 270.333 -0.499 20 5 CBBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCO)C2 ZINC000982278875 659343320 /nfs/dbraw/zinc/34/33/20/659343320.db2.gz USONYCHUGHLZME-OXHZDVMGSA-N 1 0 297.355 -0.186 20 5 CBBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000931404433 659453797 /nfs/dbraw/zinc/45/37/97/659453797.db2.gz ZDEWHSUTSYTFIR-LLVKDONJSA-N 1 0 269.305 -0.600 20 5 CBBDRO CN(C)C(=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000044991891 790329127 /nfs/dbraw/zinc/32/91/27/790329127.db2.gz HQMACJMNVWWSKR-SNVBAGLBSA-N 1 0 285.304 -0.780 20 5 CBBDRO CC[S@](=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000132754719 790388274 /nfs/dbraw/zinc/38/82/74/790388274.db2.gz MJODRRAHPYPXCL-GIGQVBGESA-N 1 0 290.345 -0.490 20 5 CBBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1CO ZINC000828724128 790890958 /nfs/dbraw/zinc/89/09/58/790890958.db2.gz FHOMOAMISCFTQT-LBPRGKRZSA-N 1 0 296.327 -0.635 20 5 CBBDRO Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063765 790987652 /nfs/dbraw/zinc/98/76/52/790987652.db2.gz LVFASTPXVUTQAU-RBLKWDMZSA-N 1 0 293.327 -0.178 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001119682765 812866804 /nfs/dbraw/zinc/86/68/04/812866804.db2.gz UOFYRBJDFQPFDY-USWWRNFRSA-N 1 0 281.316 -0.554 20 5 CBBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1CO ZINC001122125184 813121334 /nfs/dbraw/zinc/12/13/34/813121334.db2.gz YRQBMBUFIQIWFP-LBPRGKRZSA-N 1 0 279.296 -0.070 20 5 CBBDRO Cc1n[nH]c(C(=O)NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001321573256 803786156 /nfs/dbraw/zinc/78/61/56/803786156.db2.gz GCGJQOSUVGGGLZ-UHFFFAOYSA-N 1 0 296.331 -0.396 20 5 CBBDRO C[C@@H](C[NH+](C)C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001322604426 803918267 /nfs/dbraw/zinc/91/82/67/803918267.db2.gz CDRJQIUFQMXATM-VIFPVBQESA-N 1 0 282.300 -0.177 20 5 CBBDRO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1=CC[N@H+](C)CC1 ZINC001323620425 804050931 /nfs/dbraw/zinc/05/09/31/804050931.db2.gz DIKIFRIFHOBTIU-SECBINFHSA-N 1 0 294.315 -0.047 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001153780319 815177018 /nfs/dbraw/zinc/17/70/18/815177018.db2.gz GZGRCPXKSCNAJO-DTWKUNHWSA-N 1 0 295.299 -0.401 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001154765443 815238558 /nfs/dbraw/zinc/23/85/58/815238558.db2.gz CXWVQJGGJHFWNJ-UHFFFAOYSA-N 1 0 275.290 -0.582 20 5 CBBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])C(C)(C)[NH3+] ZINC001155368333 815279329 /nfs/dbraw/zinc/27/93/29/815279329.db2.gz GIVLKNVLRNABLI-SECBINFHSA-N 1 0 284.272 -0.081 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])ccn2)N1 ZINC001155572527 815295821 /nfs/dbraw/zinc/29/58/21/815295821.db2.gz YFOFVHXJLWJSPZ-LDYMZIIASA-N 1 0 263.257 -0.020 20 5 CBBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156824748 815383039 /nfs/dbraw/zinc/38/30/39/815383039.db2.gz AASWSKCHRRZASY-UHFFFAOYSA-N 1 0 276.256 -0.340 20 5 CBBDRO C[NH+](C)CCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001094089963 810698222 /nfs/dbraw/zinc/69/82/22/810698222.db2.gz QREJPVWCKZHFEX-UHFFFAOYSA-N 1 0 297.319 -0.553 20 5 CBBDRO [NH3+]CCc1nnn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])n1 ZINC001156984826 815395267 /nfs/dbraw/zinc/39/52/67/815395267.db2.gz NURFEMRANJJFPN-UHFFFAOYSA-N 1 0 285.651 -0.642 20 5 CBBDRO CCOc1nc(-n2nnc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC001156989474 815397342 /nfs/dbraw/zinc/39/73/42/815397342.db2.gz YHGKOYNEVDSFLB-UHFFFAOYSA-N 1 0 279.260 -0.135 20 5 CBBDRO COc1ncnc(-n2ccnc2C(N)=[NH2+])c1[N+](=O)[O-] ZINC001157622552 815448565 /nfs/dbraw/zinc/44/85/65/815448565.db2.gz HRUYZYIEUXHRQH-UHFFFAOYSA-N 1 0 263.217 -0.137 20 5 CBBDRO COCCOCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767718 815462766 /nfs/dbraw/zinc/46/27/66/815462766.db2.gz SCKDCEIGYNWNMO-GHMZBOCLSA-N 1 0 289.332 -0.590 20 5 CBBDRO Cc1nn(C)cc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766963 815462909 /nfs/dbraw/zinc/46/29/09/815462909.db2.gz CIMQYEFCTSMUKY-VXGBXAGGSA-N 1 0 295.343 -0.010 20 5 CBBDRO CCn1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157767521 815463196 /nfs/dbraw/zinc/46/31/96/815463196.db2.gz PSZUUDNDJTYGBI-GHMZBOCLSA-N 1 0 296.331 -0.441 20 5 CBBDRO Cc1nc(Cl)nc(-n2nnnc2C[NH3+])c1[N+](=O)[O-] ZINC001158074415 815500756 /nfs/dbraw/zinc/50/07/56/815500756.db2.gz DXTDXVDMWFSVGV-UHFFFAOYSA-N 1 0 270.640 -0.219 20 5 CBBDRO NC(=O)CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001158112826 815505306 /nfs/dbraw/zinc/50/53/06/815505306.db2.gz BXSPJDRGHOVUBX-UHFFFAOYSA-N 1 0 266.261 -0.641 20 5 CBBDRO COc1nc(-n2nc(CC[NH3+])nc2C)ncc1[N+](=O)[O-] ZINC001158126694 815505892 /nfs/dbraw/zinc/50/58/92/815505892.db2.gz YDVLODMVXGYHOY-UHFFFAOYSA-N 1 0 279.260 -0.216 20 5 CBBDRO [NH3+]Cc1cnnn1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001158422865 815527828 /nfs/dbraw/zinc/52/78/28/815527828.db2.gz IANRICIXXVVSOO-UHFFFAOYSA-N 1 0 270.636 -0.079 20 5 CBBDRO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCC[NH2+]C1 ZINC001118082272 812467786 /nfs/dbraw/zinc/46/77/86/812467786.db2.gz WPMHQEMJZUVOSV-IUCAKERBSA-N 1 0 282.304 -0.309 20 5 CBBDRO [NH3+]Cc1ccccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001118082143 812468672 /nfs/dbraw/zinc/46/86/72/812468672.db2.gz PVQSFEURBYNDLN-UHFFFAOYSA-N 1 0 290.283 -0.039 20 5 CBBDRO Cc1nn(C)c(C(=O)NCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001118139130 812476174 /nfs/dbraw/zinc/47/61/74/812476174.db2.gz DIMCBCRMHQYPAV-UHFFFAOYSA-N 1 0 296.331 -0.728 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC001118139947 812477719 /nfs/dbraw/zinc/47/77/19/812477719.db2.gz DBUAKYRRZQNGHY-VXNVDRBHSA-N 1 0 297.315 -0.175 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2nncc2C[NH3+])n1 ZINC001158427083 815529230 /nfs/dbraw/zinc/52/92/30/815529230.db2.gz LICFOXRFZVUBNN-UHFFFAOYSA-N 1 0 278.228 -0.184 20 5 CBBDRO NC(=O)[C@@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCOC1 ZINC001118306762 812522998 /nfs/dbraw/zinc/52/29/98/812522998.db2.gz PAAAHLLFBALXRV-SNVBAGLBSA-N 1 0 269.261 -0.975 20 5 CBBDRO COC(=O)c1ccnc(N2C[C@@H](OC)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001158711196 815544298 /nfs/dbraw/zinc/54/42/98/815544298.db2.gz PPDLNPFFAPYLQP-DTWKUNHWSA-N 1 0 296.283 -0.061 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC001118837857 812638553 /nfs/dbraw/zinc/63/85/53/812638553.db2.gz OYQFLHPNLCXBMA-QWRGUYRKSA-N 1 0 297.311 -0.711 20 5 CBBDRO COc1ncnc(N2C[C@@H]([NH3+])C3(COC3)C2)c1[N+](=O)[O-] ZINC001158761541 815545376 /nfs/dbraw/zinc/54/53/76/815545376.db2.gz CCLIWTCLLYZDBV-SSDOTTSWSA-N 1 0 281.272 -0.443 20 5 CBBDRO COc1nc(N2C[C@H]([NH3+])C3(COC3)C2)ncc1[N+](=O)[O-] ZINC001158763118 815545643 /nfs/dbraw/zinc/54/56/43/815545643.db2.gz GJFTXFOXURZILQ-QMMMGPOBSA-N 1 0 281.272 -0.443 20 5 CBBDRO Cc1nc(N2C[C@@H]([NH3+])C3(COC3)C2)ncc1[N+](=O)[O-] ZINC001158769088 815546963 /nfs/dbraw/zinc/54/69/63/815546963.db2.gz MIHCEZMEWSMCOO-SECBINFHSA-N 1 0 265.273 -0.143 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@@H]1COCC[NH2+]1 ZINC001159044125 815556166 /nfs/dbraw/zinc/55/61/66/815556166.db2.gz POAZMODEBTYJDY-SSDOTTSWSA-N 1 0 253.262 -0.028 20 5 CBBDRO C[C@H]1C[NH2+]CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001119618490 812834540 /nfs/dbraw/zinc/83/45/40/812834540.db2.gz LKLQTMOIKKCTTR-GXSJLCMTSA-N 1 0 269.305 -0.554 20 5 CBBDRO Cn1c(C[N+](=O)[O-])nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001121299604 813061447 /nfs/dbraw/zinc/06/14/47/813061447.db2.gz PVIGQSHTTVQJMG-SKDRFNHKSA-N 1 0 280.332 -0.020 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121939039 813094033 /nfs/dbraw/zinc/09/40/33/813094033.db2.gz ZCOVMAWSHUDIGF-AOOOYVTPSA-N 1 0 279.300 -0.222 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1ccc([N+](=O)[O-])c(N)n1 ZINC001159865334 815603051 /nfs/dbraw/zinc/60/30/51/815603051.db2.gz ZVTPIRSKVMDGDO-UHFFFAOYSA-N 1 0 283.288 -0.100 20 5 CBBDRO COc1ccnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126932287 813694546 /nfs/dbraw/zinc/69/45/46/813694546.db2.gz QMERQMLCIAGJIM-VXGBXAGGSA-N 1 0 294.311 -0.039 20 5 CBBDRO CCn1cc(CC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001126936837 813697274 /nfs/dbraw/zinc/69/72/74/813697274.db2.gz UBOBCDKANFSWNU-VXGBXAGGSA-N 1 0 295.343 -0.184 20 5 CBBDRO CC(C)OCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942473 813697752 /nfs/dbraw/zinc/69/77/52/813697752.db2.gz AJPAOLOXNSDSPV-NXEZZACHSA-N 1 0 259.306 -0.218 20 5 CBBDRO CCO[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C[NH+](C)C ZINC001133572312 814273997 /nfs/dbraw/zinc/27/39/97/814273997.db2.gz ZAAFSUGSPFVIPH-JTQLQIEISA-N 1 0 299.331 -0.126 20 5 CBBDRO COc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159669840 815583453 /nfs/dbraw/zinc/58/34/53/815583453.db2.gz AEJSSKMFILGUCK-RQJHMYQMSA-N 1 0 269.261 -0.614 20 5 CBBDRO COc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159669839 815583476 /nfs/dbraw/zinc/58/34/76/815583476.db2.gz AEJSSKMFILGUCK-RNFRBKRXSA-N 1 0 269.261 -0.614 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159677352 815586685 /nfs/dbraw/zinc/58/66/85/815586685.db2.gz KLLWLWVZRWXDNC-IUCAKERBSA-N 1 0 268.273 -0.471 20 5 CBBDRO Cc1nc(N[C@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159681422 815587552 /nfs/dbraw/zinc/58/75/52/815587552.db2.gz DAMCCDVQVRKULP-YUMQZZPRSA-N 1 0 253.262 -0.315 20 5 CBBDRO Nc1cc(N[C@@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159679970 815587676 /nfs/dbraw/zinc/58/76/76/815587676.db2.gz WURFWLZLMHTHFD-POYBYMJQSA-N 1 0 253.262 -0.436 20 5 CBBDRO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001147350948 814889520 /nfs/dbraw/zinc/88/95/20/814889520.db2.gz DQDCNLOLHVOGJJ-WCBMZHEXSA-N 1 0 296.331 -0.318 20 5 CBBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001162096919 815802843 /nfs/dbraw/zinc/80/28/43/815802843.db2.gz COEOHHREMGXGIL-JTQLQIEISA-N 1 0 281.316 -0.066 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N(CC[NH3+])S(C)(=O)=O ZINC001162126812 815804616 /nfs/dbraw/zinc/80/46/16/815804616.db2.gz LYBVVBDEWSLPLV-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO Cn1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc([N+](=O)[O-])c1=O ZINC001163196372 815865646 /nfs/dbraw/zinc/86/56/46/815865646.db2.gz ALUKNJOGLRABEM-SKDRFNHKSA-N 1 0 280.284 -0.164 20 5 CBBDRO COc1cnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163239152 815870336 /nfs/dbraw/zinc/87/03/36/815870336.db2.gz QZMLHJLRVJXHAV-BXKDBHETSA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1ccnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163240810 815871262 /nfs/dbraw/zinc/87/12/62/815871262.db2.gz WOOJFRJLCVPAIR-PELKAZGASA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1ccnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163240811 815871305 /nfs/dbraw/zinc/87/13/05/815871305.db2.gz WOOJFRJLCVPAIR-PRHODGIISA-N 1 0 293.283 -0.012 20 5 CBBDRO Nc1ccnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163243267 815871803 /nfs/dbraw/zinc/87/18/03/815871803.db2.gz SBJWQPFSIQTYBT-HQJQHLMTSA-N 1 0 278.272 -0.438 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2c[n+]([O-])ccc2[N+](=O)[O-])N1 ZINC001163249693 815872453 /nfs/dbraw/zinc/87/24/53/815872453.db2.gz LFEKXZLNTSXRGL-KOLCDFICSA-N 1 0 279.256 -0.782 20 5 CBBDRO Cn1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc([N+](=O)[O-])c1=O ZINC001163342539 815878787 /nfs/dbraw/zinc/87/87/87/815878787.db2.gz SKJNEGYDQBFMDQ-YWVKMMECSA-N 1 0 280.284 -0.165 20 5 CBBDRO C[NH+](C)C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001299563892 816728384 /nfs/dbraw/zinc/72/83/84/816728384.db2.gz IISFTGRSDJGIFD-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC001307785596 816809246 /nfs/dbraw/zinc/80/92/46/816809246.db2.gz NTADODPSEDVCMC-RTXFEEFZSA-N 1 0 295.343 -0.212 20 5 CBBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001318350559 817101605 /nfs/dbraw/zinc/10/16/05/817101605.db2.gz HDODYJPGRREFOZ-VIFPVBQESA-N 1 0 282.304 -0.356 20 5 CBBDRO C[NH+](C)CCCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001318499834 817115153 /nfs/dbraw/zinc/11/51/53/817115153.db2.gz QUONTNXYQLOXIH-UHFFFAOYSA-N 1 0 270.293 -0.356 20 5 CBBDRO C[N@H+]1CC=C(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001319828350 817245345 /nfs/dbraw/zinc/24/53/45/817245345.db2.gz KCZIITWBMHKVLP-UHFFFAOYSA-N 1 0 280.288 -0.436 20 5 CBBDRO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001321104434 817443816 /nfs/dbraw/zinc/44/38/16/817443816.db2.gz FCXOCQCHKZFUEG-VIFPVBQESA-N 1 0 296.331 -0.316 20 5 CBBDRO [NH3+]CCN(CCO)c1ncnc(Cl)c1[N+](=O)[O-] ZINC001163828519 819855659 /nfs/dbraw/zinc/85/56/59/819855659.db2.gz YVZJWSQIENKEPB-UHFFFAOYSA-N 1 0 261.669 -0.204 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(N(CC[NH3+])CCO)n1 ZINC001163829753 819856269 /nfs/dbraw/zinc/85/62/69/819856269.db2.gz AWHLDKMRCNWZCQ-UHFFFAOYSA-N 1 0 284.272 -0.466 20 5 CBBDRO NC(=O)c1nc(N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001164275856 819895330 /nfs/dbraw/zinc/89/53/30/819895330.db2.gz SRCCICJHLNJIPJ-LURJTMIESA-N 1 0 251.246 -0.374 20 5 CBBDRO CN(c1nccc(N)c1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164292618 819901824 /nfs/dbraw/zinc/90/18/24/819901824.db2.gz UNMGSXBDRTUKBO-UHFFFAOYSA-N 1 0 275.290 -0.703 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N(C)S(=O)(=O)CC[NH3+] ZINC001164296583 819904013 /nfs/dbraw/zinc/90/40/13/819904013.db2.gz GCWUUJRCCBZBQV-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO O=C(NCCC1(C[NH2+]CCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494408 819916403 /nfs/dbraw/zinc/91/64/03/819916403.db2.gz IUDIXSUKQMPOCV-NXEZZACHSA-N 1 0 271.317 -0.480 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1 ZINC001165281714 819946015 /nfs/dbraw/zinc/94/60/15/819946015.db2.gz LIEPVFPCOADVRA-SKDRFNHKSA-N 1 0 280.284 -0.754 20 5 CBBDRO Cc1nc(N2CCOCC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165287297 819949310 /nfs/dbraw/zinc/94/93/10/819949310.db2.gz SYOULHRQVMWMPF-UHFFFAOYSA-N 1 0 265.273 -0.128 20 5 CBBDRO O=C1NCCN(c2ncc([N+](=O)[O-])cc2Cl)C12C[NH2+]C2 ZINC001165297856 819950971 /nfs/dbraw/zinc/95/09/71/819950971.db2.gz NCIGRBVJQIOBMC-UHFFFAOYSA-N 1 0 297.702 -0.079 20 5 CBBDRO Cc1nc(N2CCNC(=O)C23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165297359 819951817 /nfs/dbraw/zinc/95/18/17/819951817.db2.gz DXYJGODLSSHLHO-UHFFFAOYSA-N 1 0 277.284 -0.424 20 5 CBBDRO COc1cnc(N2CCNC(=O)C23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001165298339 819952319 /nfs/dbraw/zinc/95/23/19/819952319.db2.gz PGROUMQLWSSPIY-UHFFFAOYSA-N 1 0 293.283 -0.723 20 5 CBBDRO COc1nc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001165382977 819960018 /nfs/dbraw/zinc/96/00/18/819960018.db2.gz KJKUIEJWTQTJFF-KVSKUHBBSA-N 1 0 281.272 -0.205 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(OC)n1 ZINC001165437059 819962473 /nfs/dbraw/zinc/96/24/73/819962473.db2.gz OTSOYGKWIWSVLI-VIFPVBQESA-N 1 0 296.283 -0.050 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001165438152 819963950 /nfs/dbraw/zinc/96/39/50/819963950.db2.gz FMGNXNQPGDMHAT-VIFPVBQESA-N 1 0 281.272 -0.477 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001165443551 819965078 /nfs/dbraw/zinc/96/50/78/819965078.db2.gz YGYFZMAGTFVIFE-SECBINFHSA-N 1 0 281.272 -0.356 20 5 CBBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](CO)C2)nc1C1C[NH2+]C1 ZINC001166550330 820002215 /nfs/dbraw/zinc/00/22/15/820002215.db2.gz DKJWGFUIXKVNNW-MRVPVSSYSA-N 1 0 279.300 -0.110 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001166968421 820055274 /nfs/dbraw/zinc/05/52/74/820055274.db2.gz NSJPJMNPJTZVSI-SFYZADRCSA-N 1 0 281.272 -0.228 20 5 CBBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncc([N+](=O)[O-])cn1 ZINC001167671565 820110554 /nfs/dbraw/zinc/11/05/54/820110554.db2.gz JAGFZEJXVTWMBD-UHFFFAOYSA-N 1 0 261.245 -0.183 20 5 CBBDRO C[NH2+]CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001167723525 820113755 /nfs/dbraw/zinc/11/37/55/820113755.db2.gz ZQHYNBINRJTQEB-UHFFFAOYSA-N 1 0 282.304 -0.147 20 5 CBBDRO Cc1c(F)cnc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001167791094 820119175 /nfs/dbraw/zinc/11/91/75/820119175.db2.gz JEABPEXUQSYLDG-UHFFFAOYSA-N 1 0 267.224 -0.086 20 5 CBBDRO COc1ccnc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001167791342 820119448 /nfs/dbraw/zinc/11/94/48/820119448.db2.gz KVYFPOBPHTWSCR-UHFFFAOYSA-N 1 0 265.233 -0.525 20 5 CBBDRO [NH3+]CCc1nnn(-c2cc([N+](=O)[O-])c3nncn3c2)n1 ZINC001167792128 820120841 /nfs/dbraw/zinc/12/08/41/820120841.db2.gz WRWSCPGFPGASHL-UHFFFAOYSA-N 1 0 275.232 -0.886 20 5 CBBDRO O=[N+]([O-])c1cc2c(cc1NC(CO)(CO)CO)C[NH2+]C2 ZINC001167930570 820132476 /nfs/dbraw/zinc/13/24/76/820132476.db2.gz NAAWZZWRAKBRER-UHFFFAOYSA-N 1 0 283.284 -0.674 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(-n2ccnc2C(N)=[NH2+])n1 ZINC001168412274 820160697 /nfs/dbraw/zinc/16/06/97/820160697.db2.gz WDVQYYXAVYXIBE-UHFFFAOYSA-N 1 0 263.217 -0.137 20 5 CBBDRO O=C1C=CC(=O)N1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970954 820197171 /nfs/dbraw/zinc/19/71/71/820197171.db2.gz JIAMROZMSSGTTA-ZJUUUORDSA-N 1 0 267.285 -0.054 20 5 CBBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCOCC1 ZINC001168966289 820197408 /nfs/dbraw/zinc/19/74/08/820197408.db2.gz HNPNBFLRJADWJX-MNOVXSKESA-N 1 0 271.317 -0.120 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(-n2nc(CC[NH3+])nc2C)n1 ZINC001168986019 820198815 /nfs/dbraw/zinc/19/88/15/820198815.db2.gz VEKAENVWGKUISR-UHFFFAOYSA-N 1 0 279.260 -0.216 20 5 CBBDRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979668 820198993 /nfs/dbraw/zinc/19/89/93/820198993.db2.gz ZICHFZIXPNSVQZ-VHSXEESVSA-N 1 0 279.362 -0.087 20 5 CBBDRO Cc1nc(CC[NH3+])nn1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001168986375 820199196 /nfs/dbraw/zinc/19/91/96/820199196.db2.gz ZIVBZEUGTIOFRX-UHFFFAOYSA-N 1 0 282.235 -0.242 20 5 CBBDRO COC(=O)CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168997904 820199821 /nfs/dbraw/zinc/19/98/21/820199821.db2.gz GISPNPOPZBAJLL-UTLUCORTSA-N 1 0 287.316 -0.172 20 5 CBBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998361 820199962 /nfs/dbraw/zinc/19/99/62/820199962.db2.gz LUHUHVFTQJOHAA-IVZWLZJFSA-N 1 0 287.316 -0.301 20 5 CBBDRO NC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040201 820202307 /nfs/dbraw/zinc/20/23/07/820202307.db2.gz YRALAMBUAXGTTR-GUBZILKMSA-N 1 0 257.290 -0.382 20 5 CBBDRO [NH3+][C@@H](CO)Cc1cncn1-c1nccnc1[N+](=O)[O-] ZINC001169067311 820203725 /nfs/dbraw/zinc/20/37/25/820203725.db2.gz POOSWIKYDXVBRI-SSDOTTSWSA-N 1 0 264.245 -0.567 20 5 CBBDRO O=C1C[C@@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CO1 ZINC001169120565 820208509 /nfs/dbraw/zinc/20/85/09/820208509.db2.gz LKTDYQYVNBPDLJ-SSDOTTSWSA-N 1 0 279.256 -0.201 20 5 CBBDRO NC(=O)c1ccnc(-n2nncc2C[NH3+])c1[N+](=O)[O-] ZINC001169310869 820226876 /nfs/dbraw/zinc/22/68/76/820226876.db2.gz KTKXCYKYMFUXOW-UHFFFAOYSA-N 1 0 263.217 -0.872 20 5 CBBDRO CN(CC[NH3+])CCNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001170502920 820295798 /nfs/dbraw/zinc/29/57/98/820295798.db2.gz UNXCBMLLPXCQEP-UHFFFAOYSA-N 1 0 255.278 -0.469 20 5 CBBDRO [NH3+]CCOCCOCCNc1ncc([N+](=O)[O-])cn1 ZINC001170505710 820297274 /nfs/dbraw/zinc/29/72/74/820297274.db2.gz QNCJKKHIWIZCOM-UHFFFAOYSA-N 1 0 271.277 -0.211 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170773417 820316667 /nfs/dbraw/zinc/31/66/67/820316667.db2.gz GQKUBGGIBPHQRZ-BQBZGAKWSA-N 1 0 269.261 -0.614 20 5 CBBDRO NC(=O)c1ccnc(N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170774875 820317432 /nfs/dbraw/zinc/31/74/32/820317432.db2.gz CIWSBNBTJUSLLY-SVRRBLITSA-N 1 0 281.272 -0.919 20 5 CBBDRO COc1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc1[N+](=O)[O-] ZINC001170773812 820317912 /nfs/dbraw/zinc/31/79/12/820317912.db2.gz QPRDFAQTBJITPM-HTQZYQBOSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1ccc(N[C@H]2C[NH2+]C[C@H]2CO)nc1[N+](=O)[O-] ZINC001170773817 820318012 /nfs/dbraw/zinc/31/80/12/820318012.db2.gz QPRDFAQTBJITPM-YUMQZZPRSA-N 1 0 268.273 -0.009 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170775731 820319786 /nfs/dbraw/zinc/31/97/86/820319786.db2.gz YUHRPOREFNYJEA-RCOVLWMOSA-N 1 0 281.272 -0.919 20 5 CBBDRO COc1cnc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001170779288 820320607 /nfs/dbraw/zinc/32/06/07/820320607.db2.gz XIUWVBOJXJDQQJ-HTQZYQBOSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170782274 820323244 /nfs/dbraw/zinc/32/32/44/820323244.db2.gz UPBLADGIBVEVOP-XCBNKYQSSA-N 1 0 268.273 -0.009 20 5 CBBDRO CC[C@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001170858618 820328534 /nfs/dbraw/zinc/32/85/34/820328534.db2.gz LWJGNUQPINILSQ-SNVBAGLBSA-N 1 0 269.261 -0.442 20 5 CBBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(CO)(CO)CO ZINC001173216317 820400607 /nfs/dbraw/zinc/40/06/07/820400607.db2.gz IQUWKTLILMZVFB-JTQLQIEISA-N 1 0 284.312 -0.169 20 5 CBBDRO CC[NH+](CC)CC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001283004613 828488633 /nfs/dbraw/zinc/48/86/33/828488633.db2.gz GVEUTTAVFHDMEG-NXEZZACHSA-N 1 0 286.332 -0.774 20 5 CBBDRO CCC[N@H+](C)CC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001283004586 828488763 /nfs/dbraw/zinc/48/87/63/828488763.db2.gz GHUAMORKTZVFTF-NXEZZACHSA-N 1 0 286.332 -0.774 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cnccn1 ZINC001222475806 825213243 /nfs/dbraw/zinc/21/32/43/825213243.db2.gz UEBOQGBXWYIHFR-LLVKDONJSA-N 1 0 254.310 -0.023 20 5 CBBDRO COC(=O)CN1C[C@H](OCC[N+](C)(C)C)CC1=O ZINC001224776536 825246961 /nfs/dbraw/zinc/24/69/61/825246961.db2.gz XLYZQKJUIROCCY-SNVBAGLBSA-N 1 0 259.326 -0.517 20 5 CBBDRO COc1nnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)s1 ZINC001226523940 825280671 /nfs/dbraw/zinc/28/06/71/825280671.db2.gz JRASMKZKUMDVKC-SSDOTTSWSA-N 1 0 276.338 -0.091 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2nnccc21 ZINC001226699822 825286549 /nfs/dbraw/zinc/28/65/49/825286549.db2.gz OWWVHZYCKJDAOP-SECBINFHSA-N 1 0 292.319 -0.218 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(=O)[nH]n1 ZINC001227095756 825297376 /nfs/dbraw/zinc/29/73/76/825297376.db2.gz UZLAPYYSLBZSFI-MRVPVSSYSA-O 1 0 256.282 -0.455 20 5 CBBDRO COc1nnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1C ZINC001228472668 825317644 /nfs/dbraw/zinc/31/76/44/825317644.db2.gz CFMYZWWFVDBUKF-MRVPVSSYSA-N 1 0 273.313 -0.814 20 5 CBBDRO COc1nccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001228554182 825319233 /nfs/dbraw/zinc/31/92/33/825319233.db2.gz HLTHHQPSDKQWQZ-SECBINFHSA-N 1 0 270.309 -0.152 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2nccnc21 ZINC001228643842 825320890 /nfs/dbraw/zinc/32/08/90/825320890.db2.gz HTCYLDZQJBTHPH-SECBINFHSA-N 1 0 292.319 -0.218 20 5 CBBDRO COC(=O)c1ccnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001234671829 825477308 /nfs/dbraw/zinc/47/73/08/825477308.db2.gz KDPMZINUOVDWNR-SECBINFHSA-N 1 0 298.319 -0.374 20 5 CBBDRO CCOC(=O)[C@H](N)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246416355 825672942 /nfs/dbraw/zinc/67/29/42/825672942.db2.gz HOYGZWMWOUUGFS-OPRDCNLKSA-N 1 0 259.306 -0.088 20 5 CBBDRO CCOC(=O)[C@H](N)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246416354 825673003 /nfs/dbraw/zinc/67/30/03/825673003.db2.gz HOYGZWMWOUUGFS-LPEHRKFASA-N 1 0 259.306 -0.088 20 5 CBBDRO CCOC(=O)[C@H](N)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246416352 825673216 /nfs/dbraw/zinc/67/32/16/825673216.db2.gz HOYGZWMWOUUGFS-IVZWLZJFSA-N 1 0 259.306 -0.088 20 5 CBBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001253825851 825935306 /nfs/dbraw/zinc/93/53/06/825935306.db2.gz RGOZDGNWLPTURZ-VIFPVBQESA-N 1 0 296.331 -0.316 20 5 CBBDRO O=C(NCC1C[NH2+]C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001261781990 826580165 /nfs/dbraw/zinc/58/01/65/826580165.db2.gz QUEPSEBARBTQHA-UHFFFAOYSA-N 1 0 278.268 -0.131 20 5 CBBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001261818839 826587337 /nfs/dbraw/zinc/58/73/37/826587337.db2.gz JDFYHPIHNGKGGK-IUCAKERBSA-N 1 0 295.299 -0.401 20 5 CBBDRO COCCC(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001266623562 827033806 /nfs/dbraw/zinc/03/38/06/827033806.db2.gz DIXFXYMPIZJTNM-UHFFFAOYSA-N 1 0 299.331 -0.087 20 5 CBBDRO C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC001332333462 887207733 /nfs/dbraw/zinc/20/77/33/887207733.db2.gz BOMYZADHLUSODA-ONGXEEELSA-N 1 0 269.305 -0.554 20 5 CBBDRO COCCC(=O)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC001337852911 889090001 /nfs/dbraw/zinc/09/00/01/889090001.db2.gz DMKWSXQDGRVJLK-UHFFFAOYSA-N 1 0 259.306 -0.120 20 5 CBBDRO O=[N+]([O-])CCN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001341498544 889609568 /nfs/dbraw/zinc/60/95/68/889609568.db2.gz KUZDRZNXBMKGBL-SNVBAGLBSA-N 1 0 255.278 -0.316 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[NH2+]C1CC1 ZINC001326282253 884974141 /nfs/dbraw/zinc/97/41/41/884974141.db2.gz MCURJZMKRWTAJI-UHFFFAOYSA-N 1 0 254.250 -0.946 20 5 CBBDRO Cc1nn(C)c(C(=O)NC[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001326450106 885030926 /nfs/dbraw/zinc/03/09/26/885030926.db2.gz DETXZKFXGDPHJI-QMMMGPOBSA-N 1 0 283.288 -0.645 20 5 CBBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001326492361 885044525 /nfs/dbraw/zinc/04/45/25/885044525.db2.gz XWQTWDMTDDIWGL-MRVPVSSYSA-N 1 0 286.313 -0.041 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC001326597329 885081361 /nfs/dbraw/zinc/08/13/61/885081361.db2.gz BCFBKNHRMRFJOA-SECBINFHSA-N 1 0 283.288 -0.714 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC001327023038 885230338 /nfs/dbraw/zinc/23/03/38/885230338.db2.gz TZPYNORYSMOHQS-SSDOTTSWSA-N 1 0 294.271 -0.091 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCC[NH2+]C1 ZINC001327074501 885246849 /nfs/dbraw/zinc/24/68/49/885246849.db2.gz XCTGDKODOLVVBF-SSDOTTSWSA-N 1 0 254.250 -0.946 20 5 CBBDRO [NH3+]C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC001328462580 885696066 /nfs/dbraw/zinc/69/60/66/885696066.db2.gz TUDOEIBUACLZRT-VIFPVBQESA-N 1 0 267.289 -0.011 20 5 CBBDRO CNC(=O)[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001329426493 886062623 /nfs/dbraw/zinc/06/26/23/886062623.db2.gz FCVKEUXMLHPVTD-GHMZBOCLSA-N 1 0 283.284 -0.675 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[C@H]1CC[NH2+]C1 ZINC001329484768 886089420 /nfs/dbraw/zinc/08/94/20/886089420.db2.gz VYNPYODOJPPIGZ-MRVPVSSYSA-N 1 0 268.277 -0.698 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC001329483115 886090595 /nfs/dbraw/zinc/09/05/95/886090595.db2.gz JIDJDDCNDJNLRG-SFYZADRCSA-N 1 0 268.277 -0.618 20 5 CBBDRO [NH3+]CCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001331474772 886820242 /nfs/dbraw/zinc/82/02/42/886820242.db2.gz KXDVIKJHWMPSFN-UHFFFAOYSA-N 1 0 296.283 -0.835 20 5 CBBDRO C[C@@H](Cn1cncn1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001331962922 887066143 /nfs/dbraw/zinc/06/61/43/887066143.db2.gz QPSZIYVBYNVXHT-ONGXEEELSA-N 1 0 295.303 -0.578 20 5 CBBDRO C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC001332333460 887206827 /nfs/dbraw/zinc/20/68/27/887206827.db2.gz BOMYZADHLUSODA-GXSJLCMTSA-N 1 0 269.305 -0.554 20 5 CBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC001332412426 887268238 /nfs/dbraw/zinc/26/82/38/887268238.db2.gz CXZFQDZEQJVUIS-SECBINFHSA-N 1 0 280.284 -0.375 20 5 CBBDRO [NH3+]CCCCCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001332450065 887287361 /nfs/dbraw/zinc/28/73/61/887287361.db2.gz KKJXMMSDFXYHRC-UHFFFAOYSA-N 1 0 270.293 -0.178 20 5 CBBDRO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC001334336436 887925313 /nfs/dbraw/zinc/92/53/13/887925313.db2.gz BOMYZADHLUSODA-MWLCHTKSSA-N 1 0 269.305 -0.554 20 5 CBBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001339549780 889290179 /nfs/dbraw/zinc/29/01/79/889290179.db2.gz SLYJKHVLRRZHOE-SECBINFHSA-N 1 0 296.331 -0.316 20 5 CBBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015689 889366891 /nfs/dbraw/zinc/36/68/91/889366891.db2.gz FBYNRPMZSNOYTI-DTWKUNHWSA-N 1 0 295.299 -0.089 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001341460186 889602236 /nfs/dbraw/zinc/60/22/36/889602236.db2.gz MSICMEDGYPTFOS-LLVKDONJSA-N 1 0 285.304 -0.629 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001348964917 890737083 /nfs/dbraw/zinc/73/70/83/890737083.db2.gz HQTJCTQGZKKNDD-KKZNHRDASA-N 1 0 257.290 -0.823 20 5 CBBDRO [NH3+]CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001349420009 890812398 /nfs/dbraw/zinc/81/23/98/890812398.db2.gz DYMOGWVEHKVOLE-UHFFFAOYSA-N 1 0 253.262 -0.087 20 5 CBBDRO CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001349899173 890908862 /nfs/dbraw/zinc/90/88/62/890908862.db2.gz ZFWPOKWXWIBAGF-JTQLQIEISA-N 1 0 294.311 -0.033 20 5 CBBDRO COCC1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001350697238 891025187 /nfs/dbraw/zinc/02/51/87/891025187.db2.gz LUVYIMNDAUWCPK-NSHDSACASA-N 1 0 270.289 -0.270 20 5 CBBDRO C[NH+](C)CCC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001357808282 891937278 /nfs/dbraw/zinc/93/72/78/891937278.db2.gz JVKOHCYZLIATMR-ANDSXOESSA-N 1 0 298.343 -0.608 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001358274400 891988735 /nfs/dbraw/zinc/98/87/35/891988735.db2.gz KMOAFMVWXUXNGY-VHSXEESVSA-N 1 0 279.300 -0.141 20 5 CBBDRO C[C@@](CO)([NH2+]C[C@@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC001460623350 914801781 /nfs/dbraw/zinc/80/17/81/914801781.db2.gz ZMJQTIXZYAYHCO-NEPJUHHUSA-N 1 0 270.285 -0.255 20 5 CBBDRO C[NH+](C)C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001469154037 915383696 /nfs/dbraw/zinc/38/36/96/915383696.db2.gz XJRZIRJNIVNHFB-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472084060 915691675 /nfs/dbraw/zinc/69/16/75/915691675.db2.gz YRBTUHCNBOBBSU-SSDOTTSWSA-N 1 0 281.272 -0.479 20 5 CBBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001473744991 915855684 /nfs/dbraw/zinc/85/56/84/915855684.db2.gz GUZLEQVTWZYVGV-ADEWGFFLSA-N 1 0 284.316 -0.003 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)n1 ZINC001473894440 915876630 /nfs/dbraw/zinc/87/66/30/915876630.db2.gz XVNRYOPLHSHSJB-WDEREUQCSA-N 1 0 284.316 -0.286 20 5 CBBDRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CC1 ZINC001480203799 916330732 /nfs/dbraw/zinc/33/07/32/916330732.db2.gz VFWAAINYDOYUER-LMLFDSFASA-N 1 0 296.327 -0.833 20 5 CBBDRO O=C(NC/C=C/C[NH2+]CCCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483006978 917375047 /nfs/dbraw/zinc/37/50/47/917375047.db2.gz CBXPRNWDVNXLPI-UFLMBTITSA-N 1 0 257.290 -0.704 20 5 CBBDRO COCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001488729936 918762157 /nfs/dbraw/zinc/76/21/57/918762157.db2.gz LQUMSUPAPSHEOR-LMLFDSFASA-N 1 0 271.317 -0.218 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC001559250101 924217025 /nfs/dbraw/zinc/21/70/25/924217025.db2.gz SZDVQZQKFSQQGH-QMMMGPOBSA-N 1 0 255.278 -0.193 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124861154 187158837 /nfs/dbraw/zinc/15/88/37/187158837.db2.gz ILZMXHNAXKKRBZ-UHFFFAOYSA-N 1 0 292.295 -0.446 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290073546 197584709 /nfs/dbraw/zinc/58/47/09/197584709.db2.gz IJYSUAOJNZQNQO-NXEZZACHSA-N 1 0 279.300 -0.141 20 5 CBBDRO Nc1c(C(=O)NCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000125712731 187197428 /nfs/dbraw/zinc/19/74/28/187197428.db2.gz SXVVXSWZRZWDTM-UHFFFAOYSA-N 1 0 293.327 -0.188 20 5 CBBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1COC[C@@H]1O ZINC000352795687 529939781 /nfs/dbraw/zinc/93/97/81/529939781.db2.gz UAQZAFHYQQSVJK-BDAKNGLRSA-N 1 0 256.262 -0.517 20 5 CBBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000351711249 219183496 /nfs/dbraw/zinc/18/34/96/219183496.db2.gz YSMAZIJHYFNPEE-UHFFFAOYSA-N 1 0 265.273 -0.042 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351825063 219217772 /nfs/dbraw/zinc/21/77/72/219217772.db2.gz GEPLPEUTNHKZGH-IEBDPFPHSA-N 1 0 270.289 -0.535 20 5 CBBDRO C[C@H](O)C[N@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000351939902 219256471 /nfs/dbraw/zinc/25/64/71/219256471.db2.gz XQZRSNRPWBOMDF-VIFPVBQESA-N 1 0 258.278 -0.534 20 5 CBBDRO C[NH+](C)CCN1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000077455519 351680929 /nfs/dbraw/zinc/68/09/29/351680929.db2.gz SCUCLBZRTLYFPD-RYUDHWBXSA-N 1 0 284.360 -0.253 20 5 CBBDRO NC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075618502 351668421 /nfs/dbraw/zinc/66/84/21/351668421.db2.gz JOPJPZIPFSHDCK-VHSXEESVSA-N 1 0 283.288 -0.898 20 5 CBBDRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000081580081 351709372 /nfs/dbraw/zinc/70/93/72/351709372.db2.gz QQBJQCRHYZULCL-ONGXEEELSA-N 1 0 299.331 -0.534 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(CO)CC2)c1 ZINC000122404785 351852214 /nfs/dbraw/zinc/85/22/14/351852214.db2.gz VQXZEYAFWXUVIW-JTQLQIEISA-N 1 0 270.289 -0.486 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCn2ccnn2)c1 ZINC000126920558 351861462 /nfs/dbraw/zinc/86/14/62/351861462.db2.gz DSAJHTPLMUNCQA-LLVKDONJSA-N 1 0 295.303 -0.576 20 5 CBBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C1C[NH2+]C1 ZINC000123833804 351854670 /nfs/dbraw/zinc/85/46/70/351854670.db2.gz IZUSEIOERYOFFH-UHFFFAOYSA-N 1 0 275.261 -0.016 20 5 CBBDRO CC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000124699734 351857233 /nfs/dbraw/zinc/85/72/33/351857233.db2.gz CAURWXJAHKHDRF-NXEZZACHSA-N 1 0 258.278 -0.487 20 5 CBBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000128544279 351866485 /nfs/dbraw/zinc/86/64/85/351866485.db2.gz ZFBPEIJYJDYRFR-HBNTYKKESA-N 1 0 284.316 -0.099 20 5 CBBDRO CN1CCO[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000129969943 351875805 /nfs/dbraw/zinc/87/58/05/351875805.db2.gz AHNHKCDERZMTKT-JTQLQIEISA-N 1 0 283.288 -0.762 20 5 CBBDRO C[NH+](C)CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000143071952 351925297 /nfs/dbraw/zinc/92/52/97/351925297.db2.gz SCHUGFZRJNOROY-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO CC(C)(C)[N@@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131147315 351884074 /nfs/dbraw/zinc/88/40/74/351884074.db2.gz FSTVDSIGOJNMFS-JTQLQIEISA-N 1 0 299.331 -0.262 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]CC1 ZINC000159355342 351962159 /nfs/dbraw/zinc/96/21/59/351962159.db2.gz NOUPRQFXUSDTNO-UHFFFAOYSA-N 1 0 267.289 -0.078 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000165572529 351985682 /nfs/dbraw/zinc/98/56/82/351985682.db2.gz AVQYECUFCFQCGH-ZETCQYMHSA-N 1 0 254.246 -0.277 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000165592741 351985785 /nfs/dbraw/zinc/98/57/85/351985785.db2.gz FDMWFXRDBCJXLE-VIFPVBQESA-N 1 0 268.273 -0.267 20 5 CBBDRO C[C@@H](CN(C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000168903959 351995597 /nfs/dbraw/zinc/99/55/97/351995597.db2.gz IAHNYXZGBHSHDT-ONGXEEELSA-N 1 0 271.321 -0.308 20 5 CBBDRO NC(=O)[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176231503 352063703 /nfs/dbraw/zinc/06/37/03/352063703.db2.gz BQYFXURMNYJGAA-QMMMGPOBSA-N 1 0 253.262 -0.259 20 5 CBBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171768762 352016690 /nfs/dbraw/zinc/01/66/90/352016690.db2.gz NDEYDMZAXDBXPW-VIFPVBQESA-N 1 0 267.289 -0.141 20 5 CBBDRO CCC[N@@H+](CC(=O)NC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173556348 352038901 /nfs/dbraw/zinc/03/89/01/352038901.db2.gz GQEBADFMFMINHS-LLVKDONJSA-N 1 0 299.331 -0.390 20 5 CBBDRO C[C@H](O)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173799694 352040852 /nfs/dbraw/zinc/04/08/52/352040852.db2.gz NTJYTNGCEUJWMW-WPRPVWTQSA-N 1 0 258.278 -0.535 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(CO)CC1 ZINC000186789077 352131076 /nfs/dbraw/zinc/13/10/76/352131076.db2.gz FIRCCRBIJTXUSK-NSHDSACASA-N 1 0 284.316 -0.144 20 5 CBBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000185130905 352115540 /nfs/dbraw/zinc/11/55/40/352115540.db2.gz GDIMCROPUZEUFC-GDPRMGEGSA-N 1 0 279.300 -0.013 20 5 CBBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000193582943 352206124 /nfs/dbraw/zinc/20/61/24/352206124.db2.gz CLNPGVMBYWRBEK-PSASIEDQSA-N 1 0 267.289 -0.095 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCCCO)c1 ZINC000229127383 352266301 /nfs/dbraw/zinc/26/63/01/352266301.db2.gz GFKRVKWEXIHORN-NSHDSACASA-N 1 0 272.305 -0.096 20 5 CBBDRO CO[C@@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000224205284 352246344 /nfs/dbraw/zinc/24/63/44/352246344.db2.gz BATXTIORLAMSPX-WCBMZHEXSA-N 1 0 258.278 -0.223 20 5 CBBDRO CO[C@@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000224205381 352246377 /nfs/dbraw/zinc/24/63/77/352246377.db2.gz BATXTIORLAMSPX-WPRPVWTQSA-N 1 0 258.278 -0.223 20 5 CBBDRO CN1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226049877 352251417 /nfs/dbraw/zinc/25/14/17/352251417.db2.gz AKWLXJBBBVOYCL-CMPLNLGQSA-N 1 0 283.332 -0.164 20 5 CBBDRO CN1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226049861 352251441 /nfs/dbraw/zinc/25/14/41/352251441.db2.gz AKWLXJBBBVOYCL-ZYHUDNBSSA-N 1 0 283.332 -0.164 20 5 CBBDRO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000231849568 352278388 /nfs/dbraw/zinc/27/83/88/352278388.db2.gz HVSMZXRAPYCNQJ-KOLCDFICSA-N 1 0 299.331 -0.391 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000236080415 352288318 /nfs/dbraw/zinc/28/83/18/352288318.db2.gz JNWCYMVTVVJKPC-MRVPVSSYSA-N 1 0 268.273 -0.349 20 5 CBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH3+] ZINC000237621418 352308634 /nfs/dbraw/zinc/30/86/34/352308634.db2.gz RBVZTOFYBWRQKK-QMMMGPOBSA-N 1 0 280.284 -0.212 20 5 CBBDRO NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247475089 352347014 /nfs/dbraw/zinc/34/70/14/352347014.db2.gz JOPJPZIPFSHDCK-UWVGGRQHSA-N 1 0 283.288 -0.898 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000249602983 352369958 /nfs/dbraw/zinc/36/99/58/352369958.db2.gz YWLVQTFFFGLTPC-YUSALJHKSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000252764773 352379533 /nfs/dbraw/zinc/37/95/33/352379533.db2.gz PCQWISNNIRXJSQ-YWVKMMECSA-N 1 0 272.305 -0.099 20 5 CBBDRO C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000252764771 352379772 /nfs/dbraw/zinc/37/97/72/352379772.db2.gz PCQWISNNIRXJSQ-QXEWZRGKSA-N 1 0 272.305 -0.099 20 5 CBBDRO C[C@]1(C[NH3+])CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000261791474 352396447 /nfs/dbraw/zinc/39/64/47/352396447.db2.gz GNRYRCIEQNPWFK-CYBMUJFWSA-N 1 0 294.311 -0.046 20 5 CBBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261924169 352401002 /nfs/dbraw/zinc/40/10/02/352401002.db2.gz ZZKIMBQMYTWOOI-DTWKUNHWSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)CO ZINC000248885715 352357486 /nfs/dbraw/zinc/35/74/86/352357486.db2.gz DXRGRXIZCHQSOF-GHMZBOCLSA-N 1 0 299.327 -0.180 20 5 CBBDRO C[N@H+](CCOCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000282250314 352602080 /nfs/dbraw/zinc/60/20/80/352602080.db2.gz BZLPQSNEJNSPLH-UHFFFAOYSA-N 1 0 258.278 -0.268 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290073559 352671504 /nfs/dbraw/zinc/67/15/04/352671504.db2.gz IJYSUAOJNZQNQO-ZJUUUORDSA-N 1 0 279.300 -0.141 20 5 CBBDRO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+](C)C ZINC000298868969 352716886 /nfs/dbraw/zinc/71/68/86/352716886.db2.gz SOTHFAFGPDLKLI-MRVPVSSYSA-N 1 0 255.278 -0.142 20 5 CBBDRO CN1CCO[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290702909 352678577 /nfs/dbraw/zinc/67/85/77/352678577.db2.gz WHTPWJMSXYWTNU-QMMMGPOBSA-N 1 0 295.299 -0.169 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](C3CC3)CC2)c1 ZINC000304320093 352746123 /nfs/dbraw/zinc/74/61/23/352746123.db2.gz QDUXAPYDCPIJIA-ZDUSSCGKSA-N 1 0 295.343 -0.068 20 5 CBBDRO C[N@@H+](C[C@H](O)C1CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304788101 352747663 /nfs/dbraw/zinc/74/76/63/352747663.db2.gz QBJUAQXSWKBRAO-RYUDHWBXSA-N 1 0 284.316 -0.145 20 5 CBBDRO NC(=O)N[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330517125 352837830 /nfs/dbraw/zinc/83/78/30/352837830.db2.gz IWJXTHBJGIPYGO-MRVPVSSYSA-N 1 0 268.277 -0.052 20 5 CBBDRO CN(CC[NH+](C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331291131 352902120 /nfs/dbraw/zinc/90/21/20/352902120.db2.gz WIIFDJVDTASWRI-UHFFFAOYSA-N 1 0 256.266 -0.794 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153451887 188083775 /nfs/dbraw/zinc/08/37/75/188083775.db2.gz VTYKAMIYNDTRGW-GFCCVEGCSA-N 1 0 299.331 -0.390 20 5 CBBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@H]21 ZINC000342763780 353232155 /nfs/dbraw/zinc/23/21/55/353232155.db2.gz YVOSJJLIJYIDJQ-KXUCPTDWSA-N 1 0 294.315 -0.228 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343690134 353285599 /nfs/dbraw/zinc/28/55/99/353285599.db2.gz MPAFWABBOKDDGM-VIFPVBQESA-N 1 0 294.315 -0.562 20 5 CBBDRO CCN(CCC[NH+](C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000348142607 353411910 /nfs/dbraw/zinc/41/19/10/353411910.db2.gz IRKCMFKPYMALLT-UHFFFAOYSA-N 1 0 284.320 -0.014 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCOCC[NH+](C)C ZINC000349744432 353462420 /nfs/dbraw/zinc/46/24/20/353462420.db2.gz MLSZMVDKSONZFD-UHFFFAOYSA-N 1 0 299.331 -0.206 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCCCN1CC[NH2+]CC1 ZINC000158750884 188392046 /nfs/dbraw/zinc/39/20/46/188392046.db2.gz CEUROZCSLHXENA-UHFFFAOYSA-N 1 0 296.331 -0.797 20 5 CBBDRO C[N@@H+](CCC(N)=O)CCn1cc([N+](=O)[O-])ccc1=O ZINC000353193938 353527018 /nfs/dbraw/zinc/52/70/18/353527018.db2.gz CPTLPPAIKMTYHS-UHFFFAOYSA-N 1 0 268.273 -0.436 20 5 CBBDRO [NH3+]C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000358139322 353628585 /nfs/dbraw/zinc/62/85/85/353628585.db2.gz RDTAUQWMYSKMML-SNVBAGLBSA-N 1 0 255.278 -0.549 20 5 CBBDRO CCc1n[nH]c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358428516 353644122 /nfs/dbraw/zinc/64/41/22/353644122.db2.gz WRLBPSWOQCUIKK-LBPRGKRZSA-N 1 0 297.315 -0.323 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000358514565 353649131 /nfs/dbraw/zinc/64/91/31/353649131.db2.gz VKIYNKKIXBGWTH-SNVBAGLBSA-N 1 0 297.315 -0.324 20 5 CBBDRO C[C@H]1CC(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844327 353768191 /nfs/dbraw/zinc/76/81/91/353768191.db2.gz VGJXQIKPKVDCND-ONGXEEELSA-N 1 0 297.315 -0.637 20 5 CBBDRO CCOC(=O)C1(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000374642192 353747953 /nfs/dbraw/zinc/74/79/53/353747953.db2.gz BQHMJFCJEZIUDV-VHSXEESVSA-N 1 0 299.327 -0.205 20 5 CBBDRO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000408050220 353838329 /nfs/dbraw/zinc/83/83/29/353838329.db2.gz IMINDSCVVKUAHY-UHFFFAOYSA-N 1 0 282.304 -0.261 20 5 CBBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408152497 353859610 /nfs/dbraw/zinc/85/96/10/353859610.db2.gz AUQNKKYGDPQHIY-VHSXEESVSA-N 1 0 294.315 -0.119 20 5 CBBDRO [NH3+]CCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419830229 354081458 /nfs/dbraw/zinc/08/14/58/354081458.db2.gz GAERGGRUESVIAG-UHFFFAOYSA-N 1 0 292.295 -0.446 20 5 CBBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000446400408 354287488 /nfs/dbraw/zinc/28/74/88/354287488.db2.gz JXPVBOZMARJSMW-JGVFFNPUSA-N 1 0 268.277 -0.428 20 5 CBBDRO CCn1cc(S(=O)(=O)NCCCC[NH3+])c([N+](=O)[O-])n1 ZINC000447252855 354294641 /nfs/dbraw/zinc/29/46/41/354294641.db2.gz ULZFEDMOELSWPG-UHFFFAOYSA-N 1 0 291.333 -0.172 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)[C@@H]2CCCO2)c1 ZINC000447901820 354306054 /nfs/dbraw/zinc/30/60/54/354306054.db2.gz CWXKKFBJSDQPMO-MNOVXSKESA-N 1 0 270.289 -0.079 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)[C@H]2CCCO2)c1 ZINC000447901870 354306115 /nfs/dbraw/zinc/30/61/15/354306115.db2.gz CWXKKFBJSDQPMO-WDEREUQCSA-N 1 0 270.289 -0.079 20 5 CBBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488810946 354427744 /nfs/dbraw/zinc/42/77/44/354427744.db2.gz WUCCSYUSPSLFCE-SCVCMEIPSA-N 1 0 284.316 -0.145 20 5 CBBDRO CN1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000519596159 354563694 /nfs/dbraw/zinc/56/36/94/354563694.db2.gz KIBXWNZSBZUUKB-MNOVXSKESA-N 1 0 297.315 -0.637 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000563101638 354696892 /nfs/dbraw/zinc/69/68/92/354696892.db2.gz KEQTVOSKDVQDGS-JTQLQIEISA-N 1 0 296.331 -0.799 20 5 CBBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CCN2C1=O ZINC000563431262 354704250 /nfs/dbraw/zinc/70/42/50/354704250.db2.gz LRHMKMCLEJQBOI-NXEZZACHSA-N 1 0 277.284 -0.262 20 5 CBBDRO CO[C@H](C[NH3+])CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000565595983 354741192 /nfs/dbraw/zinc/74/11/92/354741192.db2.gz FKQQJQPWPYELTC-VIFPVBQESA-N 1 0 271.277 -0.729 20 5 CBBDRO CC(C)[NH2+]CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000573267315 354908964 /nfs/dbraw/zinc/90/89/64/354908964.db2.gz FCHLPILOPJTJBF-UHFFFAOYSA-N 1 0 255.278 -0.095 20 5 CBBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCC[NH+](C)C ZINC000573837161 354922673 /nfs/dbraw/zinc/92/26/73/354922673.db2.gz OIXHPBNEXKNISP-MRVPVSSYSA-N 1 0 297.315 -0.281 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000574037258 354927223 /nfs/dbraw/zinc/92/72/23/354927223.db2.gz JSAVBXOPMYYDJF-ZYHUDNBSSA-N 1 0 279.300 -0.093 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000578466857 354946767 /nfs/dbraw/zinc/94/67/67/354946767.db2.gz UTZNJPLECJCDRB-VHSXEESVSA-N 1 0 270.289 -0.534 20 5 CBBDRO CO[C@@H]1COC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000579350809 354968368 /nfs/dbraw/zinc/96/83/68/354968368.db2.gz UXCFNCPZJAPKKU-GHMZBOCLSA-N 1 0 283.284 -0.240 20 5 CBBDRO CN1C[C@H]2[C@@H](CC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590010462 355072423 /nfs/dbraw/zinc/07/24/23/355072423.db2.gz IUZBDAOGKHMKIG-DRZSPHRISA-N 1 0 295.343 -0.212 20 5 CBBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000590369291 355075944 /nfs/dbraw/zinc/07/59/44/355075944.db2.gz ATOYCYBUEWJMDP-SECBINFHSA-N 1 0 282.300 -0.049 20 5 CBBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590445759 355080950 /nfs/dbraw/zinc/08/09/50/355080950.db2.gz RPAWIOGWPCVYJC-DTWKUNHWSA-N 1 0 280.288 -0.651 20 5 CBBDRO C[NH+](C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000589102100 355065604 /nfs/dbraw/zinc/06/56/04/355065604.db2.gz ZQNSGMPITWOSGQ-ZETCQYMHSA-N 1 0 283.288 -0.577 20 5 CBBDRO CC1(C)C[NH2+]CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000591678529 355107661 /nfs/dbraw/zinc/10/76/61/355107661.db2.gz WQOWLOALZDGWGT-UHFFFAOYSA-N 1 0 268.277 -0.603 20 5 CBBDRO O=C1NCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591735397 355111705 /nfs/dbraw/zinc/11/17/05/355111705.db2.gz YYVMPAMLMHFOKS-GXSJLCMTSA-N 1 0 297.315 -0.732 20 5 CBBDRO CN1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591733995 355112119 /nfs/dbraw/zinc/11/21/19/355112119.db2.gz UAEOUMYFDIOYHZ-CMPLNLGQSA-N 1 0 283.332 -0.164 20 5 CBBDRO CCN1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000591765805 355113266 /nfs/dbraw/zinc/11/32/66/355113266.db2.gz IUHGJWGZRPYNKR-WDEREUQCSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000592549036 355161793 /nfs/dbraw/zinc/16/17/93/355161793.db2.gz OXVMOSMRHJWBOV-YUMQZZPRSA-N 1 0 286.267 -0.655 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC2C[NH2+]C2)c1 ZINC000592158750 355135603 /nfs/dbraw/zinc/13/56/03/355135603.db2.gz OIMFHMPWWPDCQK-UHFFFAOYSA-N 1 0 267.241 -0.238 20 5 CBBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198819 355140203 /nfs/dbraw/zinc/14/02/03/355140203.db2.gz OYKQFOSXJUGEKQ-NXEZZACHSA-N 1 0 298.299 -0.353 20 5 CBBDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198820 355140384 /nfs/dbraw/zinc/14/03/84/355140384.db2.gz OYKQFOSXJUGEKQ-UWVGGRQHSA-N 1 0 298.299 -0.353 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592308960 355147502 /nfs/dbraw/zinc/14/75/02/355147502.db2.gz PHBNDTVNNFTAOA-WCBMZHEXSA-N 1 0 297.315 -0.326 20 5 CBBDRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000592383372 355150485 /nfs/dbraw/zinc/15/04/85/355150485.db2.gz QYOMZIQYHQCJLD-KNVOCYPGSA-N 1 0 272.286 -0.242 20 5 CBBDRO CCn1cc(S(=O)(=O)NC[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000592383344 355151143 /nfs/dbraw/zinc/15/11/43/355151143.db2.gz OQTSXXSGBRFAIT-LURJTMIESA-N 1 0 277.306 -0.563 20 5 CBBDRO [NH3+]C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000592983499 355188903 /nfs/dbraw/zinc/18/89/03/355188903.db2.gz WCQDGCNPLBZSHH-LLVKDONJSA-N 1 0 269.305 -0.159 20 5 CBBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000593060990 355191834 /nfs/dbraw/zinc/19/18/34/355191834.db2.gz MJPLBPZSCVIXBW-GXSJLCMTSA-N 1 0 270.289 -0.127 20 5 CBBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593067056 355191943 /nfs/dbraw/zinc/19/19/43/355191943.db2.gz SLWRDLKAOZRQJO-NXEZZACHSA-N 1 0 270.289 -0.127 20 5 CBBDRO C[C@H](CCO)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593107866 355195437 /nfs/dbraw/zinc/19/54/37/355195437.db2.gz PFUUHQFJONCYSC-MWLCHTKSSA-N 1 0 272.305 -0.145 20 5 CBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O ZINC000594873900 355266411 /nfs/dbraw/zinc/26/64/11/355266411.db2.gz QOMRCZFUNIBJMN-YUMQZZPRSA-N 1 0 294.267 -0.428 20 5 CBBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694785 355258258 /nfs/dbraw/zinc/25/82/58/355258258.db2.gz SZNCBGQSPKCJBP-RNFRBKRXSA-N 1 0 283.313 -0.201 20 5 CBBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595765589 355305357 /nfs/dbraw/zinc/30/53/57/355305357.db2.gz JQRKEAHDYVJREI-ADEWGFFLSA-N 1 0 284.316 -0.003 20 5 CBBDRO [NH3+]CCN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000595902237 355316908 /nfs/dbraw/zinc/31/69/08/355316908.db2.gz OHYUHPOGEWZOIY-GFCCVEGCSA-N 1 0 299.327 -0.413 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000595990713 355336587 /nfs/dbraw/zinc/33/65/87/355336587.db2.gz DAKWXTIRXJIDDP-LLVKDONJSA-N 1 0 267.289 -0.032 20 5 CBBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000595943905 355323166 /nfs/dbraw/zinc/32/31/66/355323166.db2.gz SPBHVCONKAFCIK-UHFFFAOYSA-N 1 0 251.246 -0.119 20 5 CBBDRO C[NH2+]C[C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595268617 355277175 /nfs/dbraw/zinc/27/71/75/355277175.db2.gz IKUKQBZDLVBVOG-MRVPVSSYSA-N 1 0 270.293 -0.302 20 5 CBBDRO Cc1[nH]nc(C(=O)N2CCOC3(C[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000596099892 355344047 /nfs/dbraw/zinc/34/40/47/355344047.db2.gz ZRFINFSXQKOYRQ-UHFFFAOYSA-N 1 0 281.272 -0.559 20 5 CBBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000597696619 355409559 /nfs/dbraw/zinc/40/95/59/355409559.db2.gz CYEZUDXRMKTGRO-DTWKUNHWSA-N 1 0 282.304 -0.263 20 5 CBBDRO CN(CCC[NH+](C)C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000597989291 355425997 /nfs/dbraw/zinc/42/59/97/355425997.db2.gz BVLUJTAXOZGJDQ-UHFFFAOYSA-N 1 0 298.347 -0.069 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000597574825 355397174 /nfs/dbraw/zinc/39/71/74/355397174.db2.gz SAOMBUQKPJISNI-LBPRGKRZSA-N 1 0 297.315 -0.153 20 5 CBBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1C[NH2+]C1 ZINC000598914496 355455979 /nfs/dbraw/zinc/45/59/79/355455979.db2.gz GMYPCKKNSJDWND-UHFFFAOYSA-N 1 0 264.241 -0.379 20 5 CBBDRO CCN(CC[NH3+])S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098261 355463506 /nfs/dbraw/zinc/46/35/06/355463506.db2.gz FSUCBWVDIUKKCZ-UHFFFAOYSA-N 1 0 277.306 -0.702 20 5 CBBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000599615010 355504204 /nfs/dbraw/zinc/50/42/04/355504204.db2.gz XDFAZSRRFDQQRJ-SSDOTTSWSA-N 1 0 251.246 -0.105 20 5 CBBDRO CN1CCOC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000599159351 355467364 /nfs/dbraw/zinc/46/73/64/355467364.db2.gz AQFYRBZYAVKHDH-QMMMGPOBSA-N 1 0 295.299 -0.169 20 5 CBBDRO CCN(CC[NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000599922163 355518132 /nfs/dbraw/zinc/51/81/32/355518132.db2.gz ZXYDKLWOMHPWBJ-UHFFFAOYSA-N 1 0 270.293 -0.219 20 5 CBBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@H]21 ZINC000599999627 355523669 /nfs/dbraw/zinc/52/36/69/355523669.db2.gz HBNMEXCCJQWAAO-MTBHXBHISA-N 1 0 265.273 -0.050 20 5 CBBDRO CO[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000600761829 355565722 /nfs/dbraw/zinc/56/57/22/355565722.db2.gz SLFMSWMOZRHMRC-LSJOCFKGSA-N 1 0 270.289 -0.081 20 5 CBBDRO COCC[N@H+](C)C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601966315 355622737 /nfs/dbraw/zinc/62/27/37/355622737.db2.gz ZFMMKLDKFPKXCQ-VIFPVBQESA-N 1 0 258.278 -0.270 20 5 CBBDRO CN(CCN1CC[NH2+]CC1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000603430587 355715108 /nfs/dbraw/zinc/71/51/08/355715108.db2.gz TXMIGKXKPKUFRZ-UHFFFAOYSA-N 1 0 282.348 -0.335 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCO1 ZINC000603430129 355715202 /nfs/dbraw/zinc/71/52/02/355715202.db2.gz SWFWDGZHXBDSIM-PSASIEDQSA-N 1 0 269.305 -0.124 20 5 CBBDRO Cn1cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000602836763 355674302 /nfs/dbraw/zinc/67/43/02/355674302.db2.gz IINFCMLYTBHMDX-UWVGGRQHSA-N 1 0 269.305 -0.565 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000602838093 355674846 /nfs/dbraw/zinc/67/48/46/355674846.db2.gz PTDQJAVIWKRICJ-QWRGUYRKSA-N 1 0 283.332 -0.294 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000610604392 355782234 /nfs/dbraw/zinc/78/22/34/355782234.db2.gz PRLBYVCRJHTBGK-AOOOYVTPSA-N 1 0 256.262 -0.781 20 5 CBBDRO C[C@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000610654049 355784483 /nfs/dbraw/zinc/78/44/83/355784483.db2.gz FROMOJQYFFCYCV-DTWKUNHWSA-N 1 0 294.315 -0.072 20 5 CBBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000285642838 283156392 /nfs/dbraw/zinc/15/63/92/283156392.db2.gz FLVBLHBFVKPUGN-VHSXEESVSA-N 1 0 295.299 -0.137 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCCCN1CC[NH2+]CC1 ZINC000178334212 189108357 /nfs/dbraw/zinc/10/83/57/189108357.db2.gz YHSLVEHJBKHOTC-UHFFFAOYSA-N 1 0 296.331 -0.797 20 5 CBBDRO C[C@@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178496213 189121013 /nfs/dbraw/zinc/12/10/13/189121013.db2.gz XRARRZUEQIKSFC-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[NH2+]C1 ZINC000178392253 189112621 /nfs/dbraw/zinc/11/26/21/189112621.db2.gz CRBUHRYIRSHQPL-MRVPVSSYSA-N 1 0 253.262 -0.341 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCC[NH2+]1 ZINC000178720496 189140275 /nfs/dbraw/zinc/14/02/75/189140275.db2.gz QNNHOEAKORLOSF-MRVPVSSYSA-N 1 0 253.262 -0.341 20 5 CBBDRO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000179069380 189166342 /nfs/dbraw/zinc/16/63/42/189166342.db2.gz XOSMUAYPKKKCSA-MRVPVSSYSA-N 1 0 253.262 -0.388 20 5 CBBDRO C[C@H](O)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000183150836 189348216 /nfs/dbraw/zinc/34/82/16/189348216.db2.gz URSZEJVXCWYOGT-NHCYSSNCSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@@H](C[NH+](C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330669250 203097320 /nfs/dbraw/zinc/09/73/20/203097320.db2.gz CRHZVXFFJCHZMX-ZETCQYMHSA-N 1 0 256.266 -0.747 20 5 CBBDRO C[N@@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000330668795 203097615 /nfs/dbraw/zinc/09/76/15/203097615.db2.gz CNHFGRZQLMWKEA-SNVBAGLBSA-N 1 0 294.311 -0.176 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000171127643 372831524 /nfs/dbraw/zinc/83/15/24/372831524.db2.gz VRGBUZJSLOGRHF-UHFFFAOYSA-N 1 0 299.331 -0.206 20 5 CBBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000176197718 372836006 /nfs/dbraw/zinc/83/60/06/372836006.db2.gz IHTHPNVKEYVAQX-UHFFFAOYSA-N 1 0 255.278 -0.013 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(O)CCC1 ZINC000353476711 220104069 /nfs/dbraw/zinc/10/40/69/220104069.db2.gz AOHKSUCXMMFOHC-NSHDSACASA-N 1 0 284.316 -0.001 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000344676766 217272548 /nfs/dbraw/zinc/27/25/48/217272548.db2.gz MAFODXNEDIHYRT-SNVBAGLBSA-N 1 0 271.277 -0.640 20 5 CBBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361371677 373285568 /nfs/dbraw/zinc/28/55/68/373285568.db2.gz IKCQFSKWNDMRBJ-GHMZBOCLSA-N 1 0 270.289 -0.127 20 5 CBBDRO COCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000363375182 373490892 /nfs/dbraw/zinc/49/08/92/373490892.db2.gz QAZMLQCCDCGHQA-WDEREUQCSA-N 1 0 271.317 -0.168 20 5 CBBDRO [NH3+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000428736453 373671125 /nfs/dbraw/zinc/67/11/25/373671125.db2.gz HNWRXCWFCQAQEX-QMMMGPOBSA-N 1 0 296.283 -0.133 20 5 CBBDRO Cn1cc([C@@H](CO)[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000494810279 373742290 /nfs/dbraw/zinc/74/22/90/373742290.db2.gz RKJIHHWOMQWNFF-LLVKDONJSA-N 1 0 280.288 -0.152 20 5 CBBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]CC1 ZINC000514591282 373754656 /nfs/dbraw/zinc/75/46/56/373754656.db2.gz TWEWZSSYBHBJGP-UHFFFAOYSA-N 1 0 292.295 -0.357 20 5 CBBDRO CN(CCC[NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000514736856 373763395 /nfs/dbraw/zinc/76/33/95/373763395.db2.gz UKSWBQSSQCVNGH-UHFFFAOYSA-N 1 0 270.293 -0.219 20 5 CBBDRO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000552077721 374259697 /nfs/dbraw/zinc/25/96/97/374259697.db2.gz VLUTWRHHFDUUAV-SSDOTTSWSA-N 1 0 298.303 -0.886 20 5 CBBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356870082 248295390 /nfs/dbraw/zinc/29/53/90/248295390.db2.gz CXQPOMRPSYSSIA-IUCAKERBSA-N 1 0 282.304 -0.263 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358046265 248438548 /nfs/dbraw/zinc/43/85/48/248438548.db2.gz KOKOBGQZODHOQO-GFCCVEGCSA-N 1 0 297.315 -0.717 20 5 CBBDRO CO[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1 ZINC000359211930 248564088 /nfs/dbraw/zinc/56/40/88/248564088.db2.gz KAUDIHNENVQUEZ-ZJUUUORDSA-N 1 0 297.315 -0.244 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347157655 218141087 /nfs/dbraw/zinc/14/10/87/218141087.db2.gz OYWOXPMBNBNCHZ-UHFFFAOYSA-N 1 0 285.304 -0.364 20 5 CBBDRO COCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266527523 190264394 /nfs/dbraw/zinc/26/43/94/190264394.db2.gz DNZQKZJHWMTKFK-SNVBAGLBSA-N 1 0 258.278 -0.270 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000266564202 190267309 /nfs/dbraw/zinc/26/73/09/190267309.db2.gz YXLBUENQGHFVFL-ONGXEEELSA-N 1 0 270.289 -0.127 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000266564199 190267578 /nfs/dbraw/zinc/26/75/78/190267578.db2.gz YXLBUENQGHFVFL-MWLCHTKSSA-N 1 0 270.289 -0.127 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)CCCO)n1 ZINC000267074723 190301411 /nfs/dbraw/zinc/30/14/11/190301411.db2.gz LNLUKFMQJGFADO-UHFFFAOYSA-N 1 0 258.278 -0.532 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000347795400 218360375 /nfs/dbraw/zinc/36/03/75/218360375.db2.gz SCEVVJKQYADSCE-UHFFFAOYSA-N 1 0 299.331 -0.319 20 5 CBBDRO Cn1c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000347884310 218389103 /nfs/dbraw/zinc/38/91/03/218389103.db2.gz LQTIEHVUMSNBDX-JTQLQIEISA-N 1 0 295.343 -0.091 20 5 CBBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155548076 207384721 /nfs/dbraw/zinc/38/47/21/207384721.db2.gz VTTVXAWGLWVONM-IUCAKERBSA-N 1 0 282.304 -0.263 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)[NH2+]1 ZINC000153312705 207383619 /nfs/dbraw/zinc/38/36/19/207383619.db2.gz GWEJDZGKDBTGEH-OCAPTIKFSA-N 1 0 268.277 -0.605 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159745094 207391189 /nfs/dbraw/zinc/39/11/89/207391189.db2.gz NFLFAGVQPIHWDZ-DTORHVGOSA-N 1 0 280.288 -0.461 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000426257372 208045669 /nfs/dbraw/zinc/04/56/69/208045669.db2.gz VPZJLVZWIISJRA-PWSUYJOCSA-N 1 0 284.316 -0.001 20 5 CBBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000427573570 208063047 /nfs/dbraw/zinc/06/30/47/208063047.db2.gz KKGNABTYKQRKSS-YUMQZZPRSA-N 1 0 268.277 -0.700 20 5 CBBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCN1CCO ZINC000428144794 208080349 /nfs/dbraw/zinc/08/03/49/208080349.db2.gz JNSJOGPDXGGDKO-VIFPVBQESA-N 1 0 297.315 -0.533 20 5 CBBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429117924 208109283 /nfs/dbraw/zinc/10/92/83/208109283.db2.gz RFWFOFWRSKSFFB-DLOVCJGASA-N 1 0 284.316 -0.003 20 5 CBBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429184484 208114190 /nfs/dbraw/zinc/11/41/90/208114190.db2.gz BQCIJSPHEHAHPP-SFYZADRCSA-N 1 0 268.277 -0.570 20 5 CBBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429178997 208114840 /nfs/dbraw/zinc/11/48/40/208114840.db2.gz FWAPAEHCACAUPY-ZETCQYMHSA-N 1 0 256.266 -0.714 20 5 CBBDRO CCC[N@@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429180424 208115385 /nfs/dbraw/zinc/11/53/85/208115385.db2.gz XZTOQLUODGPZSO-JTQLQIEISA-N 1 0 285.304 -0.651 20 5 CBBDRO C[N@@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438796708 208311522 /nfs/dbraw/zinc/31/15/22/208311522.db2.gz XHAHHXKNSSGKJJ-GFCCVEGCSA-N 1 0 283.332 -0.210 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)C[NH3+] ZINC000441609166 208351445 /nfs/dbraw/zinc/35/14/45/208351445.db2.gz IXEPDDLIOPBFMD-SSDOTTSWSA-N 1 0 255.278 -0.189 20 5 CBBDRO C[NH+]1CCC(O)(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000354717909 220899929 /nfs/dbraw/zinc/89/99/29/220899929.db2.gz VIHXKSXBCPAOJQ-UHFFFAOYSA-N 1 0 297.315 -0.636 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCOC2)c1 ZINC000038094673 174107964 /nfs/dbraw/zinc/10/79/64/174107964.db2.gz PVIODNXTGGEGMR-MWLCHTKSSA-N 1 0 270.289 -0.222 20 5 CBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000040507799 174302575 /nfs/dbraw/zinc/30/25/75/174302575.db2.gz QNFWZCRRIUMNBZ-UHFFFAOYSA-N 1 0 292.295 -0.244 20 5 CBBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000040676268 174373672 /nfs/dbraw/zinc/37/36/72/174373672.db2.gz SEJDAUWGLFXQHQ-VXGBXAGGSA-N 1 0 279.296 -0.024 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000237543925 419582576 /nfs/dbraw/zinc/58/25/76/419582576.db2.gz FCNMLGJHISJGRW-DTWKUNHWSA-N 1 0 282.304 -0.085 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000344278948 419772316 /nfs/dbraw/zinc/77/23/16/419772316.db2.gz YSVBTGUZYPVYOE-UHFFFAOYSA-N 1 0 299.331 -0.055 20 5 CBBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364613022 420044562 /nfs/dbraw/zinc/04/45/62/420044562.db2.gz NQXYPJHTXXVQSM-QWRGUYRKSA-N 1 0 285.344 -0.043 20 5 CBBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C[N@@H+]1CCO ZINC000419007282 420243940 /nfs/dbraw/zinc/24/39/40/420243940.db2.gz RICBERHOTZAWQF-BDAKNGLRSA-N 1 0 296.331 -0.142 20 5 CBBDRO Nc1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC000450795118 420298621 /nfs/dbraw/zinc/29/86/21/420298621.db2.gz SOVMNVAYHCRPQF-DTORHVGOSA-N 1 0 294.315 -0.336 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[NH2+]CCO1 ZINC000519763313 420388073 /nfs/dbraw/zinc/38/80/73/420388073.db2.gz GCDJATABUJCCQA-SNVBAGLBSA-N 1 0 283.288 -0.714 20 5 CBBDRO CO[C@@H](C[NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000569601211 420452059 /nfs/dbraw/zinc/45/20/59/420452059.db2.gz VXEAAIAJDLJEOB-VIFPVBQESA-N 1 0 279.256 0.383 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572563232 420456620 /nfs/dbraw/zinc/45/66/20/420456620.db2.gz KODWHLKDZYJOEH-LBPRGKRZSA-N 1 0 297.315 -0.386 20 5 CBBDRO Nc1nc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ncc1[N+](=O)[O-] ZINC000591439671 420480003 /nfs/dbraw/zinc/48/00/03/420480003.db2.gz XNYVNPXLMBRSHL-YUMQZZPRSA-N 1 0 264.289 0.155 20 5 CBBDRO O=[N+]([O-])c1cnc2ccc(NCC[N@H+]3CC[C@@H](O)C3)nn21 ZINC000599176374 420491235 /nfs/dbraw/zinc/49/12/35/420491235.db2.gz RYVIVPANFJAEIV-SECBINFHSA-N 1 0 292.299 0.116 20 5 CBBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@@H](O)C2)nc1 ZINC000599176022 420491345 /nfs/dbraw/zinc/49/13/45/420491345.db2.gz OLQCTVFZPCFVIR-SECBINFHSA-N 1 0 253.262 -0.137 20 5 CBBDRO Nc1nccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809189 420492697 /nfs/dbraw/zinc/49/26/97/420492697.db2.gz VUJQKXASNJTUGU-QMMMGPOBSA-N 1 0 295.299 -0.632 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000394117803 260074977 /nfs/dbraw/zinc/07/49/77/260074977.db2.gz KZXWTDAHCBARJP-JTQLQIEISA-N 1 0 281.316 -0.433 20 5 CBBDRO C[NH+](C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273667012 276776165 /nfs/dbraw/zinc/77/61/65/276776165.db2.gz XADDSJQMZREAJL-UHFFFAOYSA-N 1 0 294.315 -0.405 20 5 CBBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]2C1 ZINC000285751235 277152163 /nfs/dbraw/zinc/15/21/63/277152163.db2.gz LMHDYKWURQAWEF-UWVGGRQHSA-N 1 0 295.299 -0.137 20 5 CBBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000563118472 327926523 /nfs/dbraw/zinc/92/65/23/327926523.db2.gz UYIKGTFDWDJWKQ-QMMMGPOBSA-N 1 0 286.313 -0.028 20 5 CBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000394069284 329100695 /nfs/dbraw/zinc/10/06/95/329100695.db2.gz BHPFYJMYODMZQL-QMMMGPOBSA-N 1 0 268.273 -0.179 20 5 CBBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000563820749 328521391 /nfs/dbraw/zinc/52/13/91/328521391.db2.gz XUEKIHUMDBTGBA-LBPRGKRZSA-N 1 0 295.299 -0.496 20 5 CBBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)O1 ZINC000566190712 327161112 /nfs/dbraw/zinc/16/11/12/327161112.db2.gz LGGGBSYEYSJARV-ZJUUUORDSA-N 1 0 283.288 -0.586 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CO)c1 ZINC000561383135 327390495 /nfs/dbraw/zinc/39/04/95/327390495.db2.gz WXPCMEXYDPEBBB-MNOVXSKESA-N 1 0 286.284 -0.723 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CC[NH2+]CC1 ZINC000569958821 327558185 /nfs/dbraw/zinc/55/81/85/327558185.db2.gz ZZAOMRJUVUQALJ-UHFFFAOYSA-N 1 0 267.289 -0.093 20 5 CBBDRO Cc1c(NC(=O)C(=O)NC2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000570144545 327572268 /nfs/dbraw/zinc/57/22/68/327572268.db2.gz BLYTULVMCMQLCY-UHFFFAOYSA-N 1 0 278.268 -0.070 20 5 CBBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C[NH3+])C1 ZINC000571678081 328840165 /nfs/dbraw/zinc/84/01/65/328840165.db2.gz BHPFOXUPIGFQTA-SSDOTTSWSA-N 1 0 268.277 -0.967 20 5 CBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCO)cc1 ZINC000554720301 334448277 /nfs/dbraw/zinc/44/82/77/334448277.db2.gz MEEAJRQPHDYOAW-UHFFFAOYSA-N 1 0 274.298 -0.050 20 5 CBBDRO CN(C[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000577503494 335360892 /nfs/dbraw/zinc/36/08/92/335360892.db2.gz QXPQQTYGZHMOQT-GFCCVEGCSA-N 1 0 283.332 -0.164 20 5 CBBDRO CC(C)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000490298650 527829797 /nfs/dbraw/zinc/82/97/97/527829797.db2.gz KTSKFNLLSKROKU-SNVBAGLBSA-N 1 0 296.331 -0.015 20 5 CBBDRO CCCN(CC[NH+](C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000355332548 528073312 /nfs/dbraw/zinc/07/33/12/528073312.db2.gz IOZOSORNYUXKCY-UHFFFAOYSA-N 1 0 284.320 -0.014 20 5 CBBDRO C[C@@](O)(CO)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758093 582125194 /nfs/dbraw/zinc/12/51/94/582125194.db2.gz JPBODPDVMUNRBI-NEPJUHHUSA-N 1 0 270.285 -0.039 20 5 CBBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000733167009 582161847 /nfs/dbraw/zinc/16/18/47/582161847.db2.gz LVOKPXIKLMFBMT-VIFPVBQESA-N 1 0 284.320 -0.111 20 5 CBBDRO CC[N@@H+](CC(=O)NC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743842618 582278323 /nfs/dbraw/zinc/27/83/23/582278323.db2.gz IVNSUGSOYNVSDN-SNVBAGLBSA-N 1 0 285.304 -0.780 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782616047 582369933 /nfs/dbraw/zinc/36/99/33/582369933.db2.gz LRGCNRLVKUOYHX-JLLWLGSASA-N 1 0 282.300 -0.534 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000808174868 582441938 /nfs/dbraw/zinc/44/19/38/582441938.db2.gz VZFGMIONOLOTNQ-QMMMGPOBSA-N 1 0 282.300 -0.171 20 5 CBBDRO CCS(=O)(=O)CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000819175992 582528189 /nfs/dbraw/zinc/52/81/89/582528189.db2.gz FUDCISVUVSCGRS-UHFFFAOYSA-N 1 0 276.318 -0.184 20 5 CBBDRO Cn1nnnc1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819206625 582528762 /nfs/dbraw/zinc/52/87/62/582528762.db2.gz YZQDWROIRYCCTH-LLVKDONJSA-N 1 0 292.299 -0.016 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(N2CC[NH2+]CC2)no1 ZINC000823334999 582667106 /nfs/dbraw/zinc/66/71/06/582667106.db2.gz PDJITUJSNLCKKZ-UHFFFAOYSA-N 1 0 279.260 -0.212 20 5 CBBDRO COCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839689494 583157647 /nfs/dbraw/zinc/15/76/47/583157647.db2.gz CIMWYVHFTLECQC-NXEZZACHSA-N 1 0 259.306 -0.264 20 5 CBBDRO CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839774083 583159721 /nfs/dbraw/zinc/15/97/21/583159721.db2.gz NKWREMTZTWXSEI-GHMZBOCLSA-N 1 0 272.349 -0.349 20 5 CBBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840403752 583164807 /nfs/dbraw/zinc/16/48/07/583164807.db2.gz WXASHOWPFZSXJZ-GMTAPVOTSA-N 1 0 271.317 -0.385 20 5 CBBDRO C[C@](O)(CO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843080917 583200705 /nfs/dbraw/zinc/20/07/05/583200705.db2.gz MIKYUOHNSMRQAT-NWDGAFQWSA-N 1 0 270.285 -0.039 20 5 CBBDRO C[NH2+]C[C@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843081720 583200842 /nfs/dbraw/zinc/20/08/42/583200842.db2.gz UQTALSYGTDQZQI-NWDGAFQWSA-N 1 0 269.301 -0.202 20 5 CBBDRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000843495347 583229196 /nfs/dbraw/zinc/22/91/96/583229196.db2.gz PMBMTZNQWVSMRI-LLVKDONJSA-N 1 0 297.315 -0.324 20 5 CBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000844036400 583245676 /nfs/dbraw/zinc/24/56/76/583245676.db2.gz IKMAEQDJKNNHEA-IVZWLZJFSA-N 1 0 284.316 -0.770 20 5 CBBDRO C[NH+](C)CCN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000844715532 583278226 /nfs/dbraw/zinc/27/82/26/583278226.db2.gz YPIXYYNZMPEMHG-UHFFFAOYSA-N 1 0 296.331 -0.545 20 5 CBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC000850588727 583501762 /nfs/dbraw/zinc/50/17/62/583501762.db2.gz NCHMMLRUQCRNGP-SCZZXKLOSA-N 1 0 298.324 -0.028 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854467337 583604627 /nfs/dbraw/zinc/60/46/27/583604627.db2.gz FFXUPLLWXLPPOK-ZYHUDNBSSA-N 1 0 297.311 -0.333 20 5 CBBDRO Cc1n[nH]c(C(=O)NOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000854945143 583628870 /nfs/dbraw/zinc/62/88/70/583628870.db2.gz CNYCNPMNDAYSIL-UHFFFAOYSA-N 1 0 257.250 -0.151 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856256654 583657407 /nfs/dbraw/zinc/65/74/07/583657407.db2.gz MYNIMHTXWXSMRA-QJPTWQEYSA-N 1 0 283.328 -0.291 20 5 CBBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000858639989 583699945 /nfs/dbraw/zinc/69/99/45/583699945.db2.gz KWUZVYWRDJJBCV-LURJTMIESA-N 1 0 277.306 -0.704 20 5 CBBDRO CCn1cc(S(=O)(=O)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000858643074 583700213 /nfs/dbraw/zinc/70/02/13/583700213.db2.gz UGQXPVQYEUWIDF-ZETCQYMHSA-N 1 0 291.333 -0.221 20 5 CBBDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000858643001 583700285 /nfs/dbraw/zinc/70/02/85/583700285.db2.gz UCGDIPFKNMCNFL-SSDOTTSWSA-N 1 0 274.302 -0.043 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903869293 584902785 /nfs/dbraw/zinc/90/27/85/584902785.db2.gz GKYCOCVAQPOIDN-OLZOCXBDSA-N 1 0 295.343 -0.020 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000923379864 658245259 /nfs/dbraw/zinc/24/52/59/658245259.db2.gz APTLSSOQYWQUOV-GFCCVEGCSA-N 1 0 295.343 -0.020 20 5 CBBDRO CC1CN(CC[N+](=O)[O-])CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930654950 659317428 /nfs/dbraw/zinc/31/74/28/659317428.db2.gz FKMDJFMALKEGHF-UHFFFAOYSA-N 1 0 260.294 -0.207 20 5 CBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+](CCO)CCO)cc1 ZINC000062350983 656033334 /nfs/dbraw/zinc/03/33/34/656033334.db2.gz AEUKUVROASZEFX-LBPRGKRZSA-N 1 0 270.285 -0.085 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000713669806 656212622 /nfs/dbraw/zinc/21/26/22/656212622.db2.gz PXBCKOJFYWFFSJ-LLVKDONJSA-N 1 0 269.305 -0.169 20 5 CBBDRO O=C(NCC1=CC[N@H+](CCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675836 656759469 /nfs/dbraw/zinc/75/94/69/656759469.db2.gz WRMYRCJPZRBKJY-VXGBXAGGSA-N 1 0 283.328 -0.218 20 5 CBBDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001401007 656809484 /nfs/dbraw/zinc/80/94/84/656809484.db2.gz XEDPOQQPQYNCJG-GHMZBOCLSA-N 1 0 271.317 -0.528 20 5 CBBDRO C[NH+](C)C[C@H](O)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000915214012 657732523 /nfs/dbraw/zinc/73/25/23/657732523.db2.gz ZZQQWXNUORWUIL-MRVPVSSYSA-N 1 0 283.288 -0.577 20 5 CBBDRO C[NH+](C)CCCOC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000919678495 657856705 /nfs/dbraw/zinc/85/67/05/657856705.db2.gz WKFCWZUTMMNJKG-UHFFFAOYSA-N 1 0 257.250 -0.319 20 5 CBBDRO Cn1ccnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139040 658017123 /nfs/dbraw/zinc/01/71/23/658017123.db2.gz OCZVDOLBSBLCTQ-GWOFURMSSA-N 1 0 293.327 -0.178 20 5 CBBDRO O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139674 658017167 /nfs/dbraw/zinc/01/71/67/658017167.db2.gz LEIWLARXVYUXCC-DDHJBXDOSA-N 1 0 293.327 -0.215 20 5 CBBDRO C[NH2+][C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923278150 658188373 /nfs/dbraw/zinc/18/83/73/658188373.db2.gz PKYNDQYWSOAFOR-MWLCHTKSSA-N 1 0 269.305 -0.554 20 5 CBBDRO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923285410 658195548 /nfs/dbraw/zinc/19/55/48/658195548.db2.gz BJAWIUBBGPUIBC-MWLCHTKSSA-N 1 0 269.305 -0.554 20 5 CBBDRO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[NH2+]C1 ZINC000923356656 658227598 /nfs/dbraw/zinc/22/75/98/658227598.db2.gz ONPNEHDLZAWLFR-SNVBAGLBSA-N 1 0 255.278 -0.944 20 5 CBBDRO CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923425423 658273501 /nfs/dbraw/zinc/27/35/01/658273501.db2.gz MYYRACBLOVWVSI-PWSUYJOCSA-N 1 0 283.332 -0.164 20 5 CBBDRO CCn1nc2c(cc1=O)C[N@@H+](CC[N+](=O)[O-])CC2 ZINC000929752909 659168765 /nfs/dbraw/zinc/16/87/65/659168765.db2.gz IBGRYQFTAUZHFV-UHFFFAOYSA-N 1 0 252.274 -0.102 20 5 CBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC[N+](=O)[O-])CC1 ZINC000929847613 659181559 /nfs/dbraw/zinc/18/15/59/659181559.db2.gz XXJQFZNLHBMORU-NSHDSACASA-N 1 0 270.333 -0.499 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981764683 659330344 /nfs/dbraw/zinc/33/03/44/659330344.db2.gz YKVNERIQRQWVCF-GHMZBOCLSA-N 1 0 283.328 -0.432 20 5 CBBDRO O=C(C[NH+]1CCCC1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991289457 659830313 /nfs/dbraw/zinc/83/03/13/659830313.db2.gz FOKAKZHIMKTZEO-GHMZBOCLSA-N 1 0 296.327 -0.926 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164398029 718833025 /nfs/dbraw/zinc/83/30/25/718833025.db2.gz ACDXQQSMJFTACD-SNVBAGLBSA-N 1 0 278.316 -0.213 20 5 CBBDRO NC(=O)[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228681500 790436129 /nfs/dbraw/zinc/43/61/29/790436129.db2.gz IUXRARSVPVCQJO-ZJUUUORDSA-N 1 0 269.257 -0.936 20 5 CBBDRO CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000322770513 790484921 /nfs/dbraw/zinc/48/49/21/790484921.db2.gz IEDBZPUPXZPFFM-WCBMZHEXSA-N 1 0 285.304 -0.734 20 5 CBBDRO O=C(NC1C[NH+](CC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030293769 799292334 /nfs/dbraw/zinc/29/23/34/799292334.db2.gz RSIRMLVXFYMJJU-VXGBXAGGSA-N 1 0 283.328 -0.121 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048812445 801971379 /nfs/dbraw/zinc/97/13/79/801971379.db2.gz JTCHYBFITVSEPW-LMLFDSFASA-N 1 0 269.301 -0.966 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050519930 802066909 /nfs/dbraw/zinc/06/69/09/802066909.db2.gz MFXQLPNKKPOEFJ-GHMZBOCLSA-N 1 0 283.328 -0.432 20 5 CBBDRO CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322505750 803905426 /nfs/dbraw/zinc/90/54/26/803905426.db2.gz QFOZZDITAODUFO-GHMZBOCLSA-N 1 0 298.343 -0.678 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001325268168 804268045 /nfs/dbraw/zinc/26/80/45/804268045.db2.gz KMLQJIZHIXTDNZ-SNVBAGLBSA-N 1 0 269.261 -0.886 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[C@@H]1CCC[NH2+]1 ZINC001325825588 804320184 /nfs/dbraw/zinc/32/01/84/804320184.db2.gz FYXZICYDKHXZFZ-VIFPVBQESA-N 1 0 282.304 -0.165 20 5 CBBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001325855820 804325149 /nfs/dbraw/zinc/32/51/49/804325149.db2.gz KVKUFXLIDOLLPT-MRVPVSSYSA-N 1 0 282.304 -0.309 20 5 CBBDRO CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154037372 815195804 /nfs/dbraw/zinc/19/58/04/815195804.db2.gz ZNSHYFIXAPNAMI-UHFFFAOYSA-N 1 0 255.278 -0.056 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1ncc(F)cc1[N+](=O)[O-] ZINC001154765731 815238765 /nfs/dbraw/zinc/23/87/65/815238765.db2.gz ICNMUSGGMVMLIR-UHFFFAOYSA-N 1 0 278.265 -0.146 20 5 CBBDRO COc1ncnc(N[C@@H]2COC[C@@H]2[NH3+])c1[N+](=O)[O-] ZINC001155345468 815278496 /nfs/dbraw/zinc/27/84/96/815278496.db2.gz DKKXOVIMCYRQJI-NTSWFWBYSA-N 1 0 255.234 -0.469 20 5 CBBDRO COc1ncnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1[N+](=O)[O-] ZINC001155506248 815289197 /nfs/dbraw/zinc/28/91/97/815289197.db2.gz UJKSZKYZWYFZKT-BWZBUEFSSA-N 1 0 281.272 -0.208 20 5 CBBDRO COc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155571869 815295567 /nfs/dbraw/zinc/29/55/67/815295567.db2.gz UPAQVKGVRLGSAC-SKDRFNHKSA-N 1 0 293.283 -0.012 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(CC[NH3+])CCO ZINC001155947915 815323995 /nfs/dbraw/zinc/32/39/95/815323995.db2.gz GYJJBSKNVGUNHC-UHFFFAOYSA-N 1 0 284.272 -0.466 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(CC[NH3+])CCO ZINC001155953123 815325510 /nfs/dbraw/zinc/32/55/10/815325510.db2.gz PYUVIJXJCDFCLP-UHFFFAOYSA-N 1 0 256.262 -0.706 20 5 CBBDRO COc1cc(N(CC[NH3+])CCO)ncc1[N+](=O)[O-] ZINC001155949702 815325535 /nfs/dbraw/zinc/32/55/35/815325535.db2.gz TWYBOYVAKAUPSR-UHFFFAOYSA-N 1 0 256.262 -0.244 20 5 CBBDRO CCOC(=O)c1ccnc(N(CC[NH3+])CCO)c1[N+](=O)[O-] ZINC001155954210 815326462 /nfs/dbraw/zinc/32/64/62/815326462.db2.gz ZIZOUJZBULCYFX-UHFFFAOYSA-N 1 0 298.299 -0.076 20 5 CBBDRO CN[C@@H]1CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156649579 815371626 /nfs/dbraw/zinc/37/16/26/815371626.db2.gz YZPDWEQQJVWKLY-VIFPVBQESA-N 1 0 293.331 -0.450 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1-n1nnc(CC[NH3+])n1 ZINC001156989548 815396596 /nfs/dbraw/zinc/39/65/96/815396596.db2.gz ZOOWALMCIFOLGI-UHFFFAOYSA-N 1 0 250.222 -0.951 20 5 CBBDRO CCOC(=O)CN(CCC[NH3+])c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001157544485 815444229 /nfs/dbraw/zinc/44/42/29/815444229.db2.gz LFMQKBCGWPCVME-UHFFFAOYSA-N 1 0 298.299 -0.054 20 5 CBBDRO O=C(NCCC[NH2+]CCn1cncn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775385 815466045 /nfs/dbraw/zinc/46/60/45/815466045.db2.gz QNLPRMUSEYVAEC-NXEZZACHSA-N 1 0 282.304 -0.961 20 5 CBBDRO COc1cc(C)nc(-n2nnnc2C[NH3+])c1[N+](=O)[O-] ZINC001158074956 815501297 /nfs/dbraw/zinc/50/12/97/815501297.db2.gz OFNSDGXOITWCBC-UHFFFAOYSA-N 1 0 265.233 -0.259 20 5 CBBDRO [NH3+]Cc1nnnn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158077447 815503028 /nfs/dbraw/zinc/50/30/28/815503028.db2.gz QGYATFZWGBMLPV-UHFFFAOYSA-N 1 0 260.217 -0.095 20 5 CBBDRO Nc1cc(-n2cncc2C[C@@H]([NH3+])CO)ncc1[N+](=O)[O-] ZINC001158206516 815513726 /nfs/dbraw/zinc/51/37/26/815513726.db2.gz STNZTFVAWOODFW-SSDOTTSWSA-N 1 0 278.272 -0.380 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[NH+]1CC=CC1 ZINC001116186180 812229195 /nfs/dbraw/zinc/22/91/95/812229195.db2.gz OOIGCXCPUABTOP-UHFFFAOYSA-N 1 0 265.273 -0.221 20 5 CBBDRO C[N@H+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC001116342116 812247003 /nfs/dbraw/zinc/24/70/03/812247003.db2.gz NTHBGCKPWRORJG-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO COc1ncnc(-n2nncc2C[NH3+])c1[N+](=O)[O-] ZINC001158423683 815527787 /nfs/dbraw/zinc/52/77/87/815527787.db2.gz XZFPJYRCAVFVBW-UHFFFAOYSA-N 1 0 251.206 -0.567 20 5 CBBDRO COC(=O)c1ccnc(-n2nncc2C[NH3+])c1[N+](=O)[O-] ZINC001158422577 815527982 /nfs/dbraw/zinc/52/79/82/815527982.db2.gz CGPOCAUMGWTBEF-UHFFFAOYSA-N 1 0 278.228 -0.184 20 5 CBBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2nncc2C[NH3+])n1 ZINC001158426936 815528991 /nfs/dbraw/zinc/52/89/91/815528991.db2.gz JCDBDUUQODTQQP-UHFFFAOYSA-N 1 0 292.259 -0.309 20 5 CBBDRO CC[NH2+]CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118197284 812491003 /nfs/dbraw/zinc/49/10/03/812491003.db2.gz PYEBZRHVXWFXSE-UHFFFAOYSA-N 1 0 268.273 -0.518 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001118207371 812497035 /nfs/dbraw/zinc/49/70/35/812497035.db2.gz LDOMUIFDRYFIBE-MRVPVSSYSA-N 1 0 283.288 -0.564 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCCO1 ZINC001118228612 812500828 /nfs/dbraw/zinc/50/08/28/812500828.db2.gz VLQPRVMYSVPSFV-SSDOTTSWSA-N 1 0 269.261 -0.492 20 5 CBBDRO NC(=O)[C@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCOC1 ZINC001118306761 812523440 /nfs/dbraw/zinc/52/34/40/812523440.db2.gz PAAAHLLFBALXRV-JTQLQIEISA-N 1 0 269.261 -0.975 20 5 CBBDRO [NH3+]CC12CC(C1)CN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001118571826 812580006 /nfs/dbraw/zinc/58/00/06/812580006.db2.gz JDOVQGSXICREQL-UHFFFAOYSA-N 1 0 266.261 -0.864 20 5 CBBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H]([NH3+])C2(COC2)C1 ZINC001158766281 815546315 /nfs/dbraw/zinc/54/63/15/815546315.db2.gz XBOLNQVIDHWJEU-VIFPVBQESA-N 1 0 265.273 -0.264 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCCN(C)CC[NH3+] ZINC001159438201 815572946 /nfs/dbraw/zinc/57/29/46/815572946.db2.gz RXYQNOFIHGLDJJ-UHFFFAOYSA-N 1 0 269.305 -0.161 20 5 CBBDRO CNC(=O)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126161402 813620024 /nfs/dbraw/zinc/62/00/24/813620024.db2.gz KMKKWTGOLYOSSN-UHFFFAOYSA-N 1 0 294.311 -0.063 20 5 CBBDRO CC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943131 813697649 /nfs/dbraw/zinc/69/76/49/813697649.db2.gz MIURZRVEVZXILV-RKDXNWHRSA-N 1 0 286.332 -0.728 20 5 CBBDRO COc1nccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936677 813697803 /nfs/dbraw/zinc/69/78/03/813697803.db2.gz QGSQIZIARBZAQS-NXEZZACHSA-N 1 0 295.299 -0.644 20 5 CBBDRO CN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001141531473 814660886 /nfs/dbraw/zinc/66/08/86/814660886.db2.gz CHRYQYAPMHFVII-VXGBXAGGSA-N 1 0 284.360 -0.205 20 5 CBBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001141653620 814663233 /nfs/dbraw/zinc/66/32/33/814663233.db2.gz GAEQXLAERUHOGG-QMMMGPOBSA-N 1 0 283.288 -0.496 20 5 CBBDRO COc1nc(N[C@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159669837 815583249 /nfs/dbraw/zinc/58/32/49/815583249.db2.gz AEJSSKMFILGUCK-BQBZGAKWSA-N 1 0 269.261 -0.614 20 5 CBBDRO COc1cnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001159675120 815586162 /nfs/dbraw/zinc/58/61/62/815586162.db2.gz CCDIRQPIIWKDMQ-VXNVDRBHSA-N 1 0 268.273 -0.009 20 5 CBBDRO O=C(NCCC1=CC[N@H+](CCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107163 815609752 /nfs/dbraw/zinc/60/97/52/815609752.db2.gz KNEFZEHCKBWHQV-VXGBXAGGSA-N 1 0 283.328 -0.218 20 5 CBBDRO COc1nc(C)nc(N[C@@H]2COC[C@@H]2[NH3+])c1[N+](=O)[O-] ZINC001162916992 815847073 /nfs/dbraw/zinc/84/70/73/815847073.db2.gz HNIYBGHXGIMWPR-NKWVEPMBSA-N 1 0 269.261 -0.160 20 5 CBBDRO NC(=O)c1nc(N[C@@H]2COC[C@@H]2[NH3+])ccc1[N+](=O)[O-] ZINC001162916961 815847814 /nfs/dbraw/zinc/84/78/14/815847814.db2.gz GESCLKPEOWJFNF-NTSWFWBYSA-N 1 0 267.245 -0.773 20 5 CBBDRO COc1ccnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163240812 815871116 /nfs/dbraw/zinc/87/11/16/815871116.db2.gz WOOJFRJLCVPAIR-QPUJVOFHSA-N 1 0 293.283 -0.012 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncccc2[N+](=O)[O-])N1 ZINC001163243452 815871845 /nfs/dbraw/zinc/87/18/45/815871845.db2.gz SLWXQYJKTCXMNP-LDYMZIIASA-N 1 0 263.257 -0.020 20 5 CBBDRO Cc1nnc(C[NH3+])n1-c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001163348696 815880149 /nfs/dbraw/zinc/88/01/49/815880149.db2.gz NSSSJCGFADYBPT-UHFFFAOYSA-N 1 0 264.245 -0.116 20 5 CBBDRO C[NH+]1CCC(O)(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001319611381 817224923 /nfs/dbraw/zinc/22/49/23/817224923.db2.gz DGQBHQTXMWJPNS-UHFFFAOYSA-N 1 0 283.288 -0.496 20 5 CBBDRO C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001320009179 817267747 /nfs/dbraw/zinc/26/77/47/817267747.db2.gz HEECYEVVTDFMRP-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO CC(C)(O)C1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001320493425 817345978 /nfs/dbraw/zinc/34/59/78/817345978.db2.gz BMXXZUBJIPMPHS-LLVKDONJSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC001320513246 817347793 /nfs/dbraw/zinc/34/77/93/817347793.db2.gz JLWWVOXVBXFBLV-JTQLQIEISA-N 1 0 269.261 -0.886 20 5 CBBDRO [NH3+]CCN(CCO)c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001163829800 819856186 /nfs/dbraw/zinc/85/61/86/819856186.db2.gz CYIXXTRQDFUOAM-UHFFFAOYSA-N 1 0 266.261 -0.377 20 5 CBBDRO COc1cnc(N(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC001163830266 819856878 /nfs/dbraw/zinc/85/68/78/819856878.db2.gz VGIYVBNVORVGCN-UHFFFAOYSA-N 1 0 256.262 -0.244 20 5 CBBDRO O=[N+]([O-])c1cnc(N2C[C@@H](O)[C@@H](F)C2)nc1C1C[NH2+]C1 ZINC001164109091 819882528 /nfs/dbraw/zinc/88/25/28/819882528.db2.gz FQYNDAJUJORLMO-IONNQARKSA-N 1 0 283.263 -0.409 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N2CCOCC23C[NH2+]C3)n1 ZINC001165285476 819947928 /nfs/dbraw/zinc/94/79/28/819947928.db2.gz CXASNTOTDFYCAY-UHFFFAOYSA-N 1 0 265.273 -0.128 20 5 CBBDRO COc1ncnc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC001165381983 819958988 /nfs/dbraw/zinc/95/89/88/819958988.db2.gz HOEIGQQTLPRNNQ-KVSKUHBBSA-N 1 0 251.246 -0.213 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ncc(OC)cc1[N+](=O)[O-] ZINC001165439224 819963167 /nfs/dbraw/zinc/96/31/67/819963167.db2.gz PBAKLKFMIQQSPZ-SNVBAGLBSA-N 1 0 296.283 -0.050 20 5 CBBDRO O=C1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001166735279 820033976 /nfs/dbraw/zinc/03/39/76/820033976.db2.gz ZFABTJPTBLMHQV-UHFFFAOYSA-N 1 0 278.272 -0.817 20 5 CBBDRO Cc1nc(N2CCO[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001166939609 820049186 /nfs/dbraw/zinc/04/91/86/820049186.db2.gz DJPFHFBENDHMGG-QMMMGPOBSA-N 1 0 253.262 -0.143 20 5 CBBDRO [NH3+][C@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C[C@H]1O ZINC001167092653 820069721 /nfs/dbraw/zinc/06/97/21/820069721.db2.gz OFRUMUDHCUCVMO-IONNQARKSA-N 1 0 263.257 -0.021 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(-n2c(C)ncc(C[NH3+])c2=N)n1 ZINC001167672681 820109178 /nfs/dbraw/zinc/10/91/78/820109178.db2.gz SQZIQYDKJUEMHB-UHFFFAOYSA-N 1 0 291.271 -0.174 20 5 CBBDRO N=c1cc(C[NH3+])ccn1-c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001167682950 820111344 /nfs/dbraw/zinc/11/13/44/820111344.db2.gz ASTNTKCNMDJZQS-UHFFFAOYSA-N 1 0 288.267 -0.182 20 5 CBBDRO N=c1cc(C[NH3+])ccn1-c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001167692974 820112169 /nfs/dbraw/zinc/11/21/69/820112169.db2.gz QKCISKFUDIDDJQ-UHFFFAOYSA-N 1 0 288.267 -0.182 20 5 CBBDRO NC(=O)c1ccnc(-n2cc(C[NH3+])cn2)c1[N+](=O)[O-] ZINC001168258534 820153378 /nfs/dbraw/zinc/15/33/78/820153378.db2.gz YVZNVYIZROSSGJ-UHFFFAOYSA-N 1 0 262.229 -0.267 20 5 CBBDRO CN(CC[N@H+](C)CCO)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001168350787 820159240 /nfs/dbraw/zinc/15/92/40/820159240.db2.gz WXKVSXBRISGQEX-UHFFFAOYSA-N 1 0 298.299 -0.309 20 5 CBBDRO CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)S(=O)(=O)CC[NH3+] ZINC001168966474 820197269 /nfs/dbraw/zinc/19/72/69/820197269.db2.gz IKFQJEBBIMUUGC-IUCAKERBSA-N 1 0 265.335 -0.348 20 5 CBBDRO [NH3+]CCS(=O)(=O)N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966005 820197850 /nfs/dbraw/zinc/19/78/50/820197850.db2.gz FQRQRCXFZPNSGW-HTQZYQBOSA-N 1 0 251.308 -0.690 20 5 CBBDRO COC(=O)[C@H](CN)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977848 820198847 /nfs/dbraw/zinc/19/88/47/820198847.db2.gz MXKMTCPHIPHOQB-IVZWLZJFSA-N 1 0 259.306 -0.231 20 5 CBBDRO Cc1nc(CC[NH3+])nn1-c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001168982709 820199127 /nfs/dbraw/zinc/19/91/27/820199127.db2.gz HWZPXVSWPVFPEC-UHFFFAOYSA-N 1 0 291.271 -0.521 20 5 CBBDRO COC(=O)CNC(=O)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984932 820199354 /nfs/dbraw/zinc/19/93/54/820199354.db2.gz RHELAIGAXILCED-BDAKNGLRSA-N 1 0 273.289 -0.689 20 5 CBBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998359 820199922 /nfs/dbraw/zinc/19/99/22/820199922.db2.gz LUHUHVFTQJOHAA-AEJSXWLSSA-N 1 0 287.316 -0.301 20 5 CBBDRO NC(=O)CN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040051 820202007 /nfs/dbraw/zinc/20/20/07/820202007.db2.gz XGMDEPUWLZVMHB-MNOVXSKESA-N 1 0 270.333 -0.465 20 5 CBBDRO Cc1c[n+]([O-])c(-n2cncc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169071360 820204569 /nfs/dbraw/zinc/20/45/69/820204569.db2.gz KEZFNWLWZGBXAT-SECBINFHSA-N 1 0 293.283 -0.416 20 5 CBBDRO [NH3+]Cc1cnnn1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001169304497 820226146 /nfs/dbraw/zinc/22/61/46/820226146.db2.gz WUILJEXQVAMVJW-UHFFFAOYSA-N 1 0 270.636 -0.079 20 5 CBBDRO NC(=O)[C@@H](CO)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169332500 820237700 /nfs/dbraw/zinc/23/77/00/820237700.db2.gz PZBPKZIXBXZCDP-SECBINFHSA-N 1 0 266.257 -0.544 20 5 CBBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)n1)[C@H]1C[NH2+]CCO1 ZINC001170564567 820306331 /nfs/dbraw/zinc/30/63/31/820306331.db2.gz QGHSIZBVLIEVGX-IONNQARKSA-N 1 0 295.299 -0.123 20 5 CBBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@@H]1C[NH2+]CCO1 ZINC001170565225 820306897 /nfs/dbraw/zinc/30/68/97/820306897.db2.gz UKCPESCBKXOZME-XVKPBYJWSA-N 1 0 295.299 -0.123 20 5 CBBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)n1)[C@@H]1C[NH2+]CCO1 ZINC001170564563 820307082 /nfs/dbraw/zinc/30/70/82/820307082.db2.gz QGHSIZBVLIEVGX-APPZFPTMSA-N 1 0 295.299 -0.123 20 5 CBBDRO COc1nc(C)nc(N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170773676 820318108 /nfs/dbraw/zinc/31/81/08/820318108.db2.gz IYFSVVNHFBAYAI-YUMQZZPRSA-N 1 0 283.288 -0.306 20 5 CBBDRO NC(=O)c1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001170773689 820318386 /nfs/dbraw/zinc/31/83/86/820318386.db2.gz PCZMWECLVBWRCH-RNFRBKRXSA-N 1 0 281.272 -0.919 20 5 CBBDRO COc1cc(N[C@H]2C[NH2+]C[C@H]2CO)cnc1[N+](=O)[O-] ZINC001170778785 820321449 /nfs/dbraw/zinc/32/14/49/820321449.db2.gz AUWHIXWQWBCWDS-CBAPKCEASA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170782275 820323348 /nfs/dbraw/zinc/32/33/48/820323348.db2.gz UPBLADGIBVEVOP-XVKPBYJWSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170783715 820325483 /nfs/dbraw/zinc/32/54/83/820325483.db2.gz ZZIQGXPUKLMTSP-YUMQZZPRSA-N 1 0 268.273 -0.009 20 5 CBBDRO CCOC(=O)CN(CC[NH3+])c1ncc([N+](=O)[O-])cn1 ZINC001170988497 820341417 /nfs/dbraw/zinc/34/14/17/820341417.db2.gz AKWNTJDHZDAAOW-UHFFFAOYSA-N 1 0 269.261 -0.287 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](CO)[C@H](CO)C2)n1 ZINC001175568832 820429870 /nfs/dbraw/zinc/42/98/70/820429870.db2.gz GUFVYKNMMBNXLA-AOOOYVTPSA-N 1 0 270.289 -0.676 20 5 CBBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC001195012089 824099138 /nfs/dbraw/zinc/09/91/38/824099138.db2.gz GPABCQXXIZBCKO-RTXFEEFZSA-N 1 0 282.296 -0.087 20 5 CBBDRO NC(=O)[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC001196092547 824148271 /nfs/dbraw/zinc/14/82/71/824148271.db2.gz INAXHTUOIYMNLX-GHMZBOCLSA-N 1 0 292.295 -0.387 20 5 CBBDRO CCOC(=O)CCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001205072137 824373892 /nfs/dbraw/zinc/37/38/92/824373892.db2.gz GFMGXCIYDHKMNF-SNVBAGLBSA-N 1 0 262.326 -0.060 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCCO)CC1 ZINC001205229569 824376580 /nfs/dbraw/zinc/37/65/80/824376580.db2.gz FATAACUYTAABHC-VXGBXAGGSA-N 1 0 285.344 -0.138 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC[C@@H]1COCCO1 ZINC001210625740 824480657 /nfs/dbraw/zinc/48/06/57/824480657.db2.gz QFPDRDYNCVVWCD-MNOVXSKESA-N 1 0 262.326 -0.598 20 5 CBBDRO CNC(=O)C(C)(C)OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222569007 825216866 /nfs/dbraw/zinc/21/68/66/825216866.db2.gz JOKIDQVWXDEDMO-SECBINFHSA-O 1 0 261.342 -0.489 20 5 CBBDRO Cn1cnc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001223553112 825230455 /nfs/dbraw/zinc/23/04/55/825230455.db2.gz QPBWBJVHDNWILH-LLVKDONJSA-N 1 0 256.326 -0.080 20 5 CBBDRO COC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nn1 ZINC001226569504 825281924 /nfs/dbraw/zinc/28/19/24/825281924.db2.gz SHTLDMLNPYKRFM-SECBINFHSA-N 1 0 298.319 -0.374 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc([N+](=O)[O-])cn1 ZINC001226732538 825289200 /nfs/dbraw/zinc/28/92/00/825289200.db2.gz WOPLOHYLQGGFMD-SECBINFHSA-N 1 0 285.280 -0.253 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)N1 ZINC001246153280 825642684 /nfs/dbraw/zinc/64/26/84/825642684.db2.gz RKPLLVOUMDPYOM-WDCWCFNPSA-N 1 0 268.317 -0.401 20 5 CBBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1N ZINC001246935738 825734075 /nfs/dbraw/zinc/73/40/75/825734075.db2.gz YJRQTNRGJNEHQA-LNFKQOIKSA-N 1 0 271.317 -0.136 20 5 CBBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C(N)=O ZINC001254540061 825965530 /nfs/dbraw/zinc/96/55/30/825965530.db2.gz OWJYAWYKRMKMQS-WCBMZHEXSA-N 1 0 267.285 -0.038 20 5 CBBDRO [NH3+]CCS(=O)(=O)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572568 825965599 /nfs/dbraw/zinc/96/55/99/825965599.db2.gz QCUHDLIVPNMRHU-JTQLQIEISA-N 1 0 285.325 -0.060 20 5 CBBDRO C[C@@H](C[NH3+])N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001261492096 826524762 /nfs/dbraw/zinc/52/47/62/826524762.db2.gz QVGXHEBRXARPHP-QMMMGPOBSA-N 1 0 268.273 -0.438 20 5 CBBDRO CC[C@H]([NH3+])CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001261494966 826525398 /nfs/dbraw/zinc/52/53/98/826525398.db2.gz LQDIBWAWIYFIJQ-QMMMGPOBSA-N 1 0 268.273 -0.390 20 5 CBBDRO CC[C@@H]([NH3+])CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001261494965 826525474 /nfs/dbraw/zinc/52/54/74/826525474.db2.gz LQDIBWAWIYFIJQ-MRVPVSSYSA-N 1 0 268.273 -0.390 20 5 CBBDRO Cn1cc(CC[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001266273472 826968548 /nfs/dbraw/zinc/96/85/48/826968548.db2.gz SPEFDKYHUYSPBB-VXGBXAGGSA-N 1 0 295.343 -0.324 20 5 CBBDRO C[C@@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]C1 ZINC001350422922 890984449 /nfs/dbraw/zinc/98/44/49/890984449.db2.gz LCHBWFHVEPWPEY-SECBINFHSA-N 1 0 254.250 -0.946 20 5 CBBDRO C[NH2+]C[C@H](C)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC001326073025 884898347 /nfs/dbraw/zinc/89/83/47/884898347.db2.gz ABQASNDWDBXKFV-ZETCQYMHSA-N 1 0 255.278 -0.086 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001326451059 885029676 /nfs/dbraw/zinc/02/96/76/885029676.db2.gz KWIAOWFNDYVMRE-MRVPVSSYSA-N 1 0 283.288 -0.482 20 5 CBBDRO [NH3+][C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC001326611186 885087407 /nfs/dbraw/zinc/08/74/07/885087407.db2.gz DCEDBWRJLFTIMA-ZETCQYMHSA-N 1 0 254.250 -0.960 20 5 CBBDRO COCC[NH2+]CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC001328237540 885609720 /nfs/dbraw/zinc/60/97/20/885609720.db2.gz ZDZFDQYUPJGXCO-UHFFFAOYSA-N 1 0 271.277 -0.706 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC001328243615 885610893 /nfs/dbraw/zinc/61/08/93/885610893.db2.gz PFPSSKQOFIGXQN-ZCFIWIBFSA-N 1 0 255.234 -0.882 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC001329483113 886089184 /nfs/dbraw/zinc/08/91/84/886089184.db2.gz JIDJDDCNDJNLRG-HTQZYQBOSA-N 1 0 268.277 -0.618 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC2(C[NH2+]C2)C1 ZINC001329975796 886310881 /nfs/dbraw/zinc/31/08/81/886310881.db2.gz IWKUVGWVYQDPFJ-UHFFFAOYSA-N 1 0 267.245 -0.868 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[NH+]1CC=CC1 ZINC001330695695 886535957 /nfs/dbraw/zinc/53/59/57/886535957.db2.gz SBVIECJYSBSEBR-UHFFFAOYSA-N 1 0 265.273 -0.221 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH2+]CC1 ZINC001332157307 887134697 /nfs/dbraw/zinc/13/46/97/887134697.db2.gz QVPVKJZWEMWNPX-UHFFFAOYSA-N 1 0 253.262 -0.190 20 5 CBBDRO [NH3+]CC[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001332449486 887287422 /nfs/dbraw/zinc/28/74/22/887287422.db2.gz GDTJNUYXBRUWNG-SECBINFHSA-N 1 0 282.304 -0.226 20 5 CBBDRO C[NH+]1CCN(C2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC001332563917 887358015 /nfs/dbraw/zinc/35/80/15/887358015.db2.gz NMCSHCMFEUTPDX-UHFFFAOYSA-N 1 0 294.315 -0.610 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001333409690 887627333 /nfs/dbraw/zinc/62/73/33/887627333.db2.gz NAXZGIVAXMGENK-SECBINFHSA-N 1 0 280.288 -0.507 20 5 CBBDRO O=C(CNCC[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC001335454863 888538711 /nfs/dbraw/zinc/53/87/11/888538711.db2.gz ZJESROOSMLYXBR-UHFFFAOYSA-N 1 0 258.322 -0.545 20 5 CBBDRO O=[N+]([O-])CCNCCS(=O)(=O)C(F)(F)F ZINC001338521620 889170382 /nfs/dbraw/zinc/17/03/82/889170382.db2.gz VIOFKIPKDHKQQL-UHFFFAOYSA-N 1 0 250.198 -0.213 20 5 CBBDRO C[NH+]1CCC2(CCN2C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001342659343 889810301 /nfs/dbraw/zinc/81/03/01/889810301.db2.gz IABMCKNNCHGRKV-UHFFFAOYSA-N 1 0 294.315 -0.117 20 5 CBBDRO O=[N+]([O-])c1ncn(Cc2nc(N3CC[NH2+]CC3)no2)n1 ZINC001345667875 890150662 /nfs/dbraw/zinc/15/06/62/890150662.db2.gz APFXYSQITMIMIC-UHFFFAOYSA-N 1 0 280.248 -0.973 20 5 CBBDRO [NH3+]CC(=O)NCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345780795 890164440 /nfs/dbraw/zinc/16/44/40/890164440.db2.gz ISXXFUFMMFFEOA-UHFFFAOYSA-N 1 0 278.268 -0.488 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001346046413 890205530 /nfs/dbraw/zinc/20/55/30/890205530.db2.gz JCMXRJLWYGXNMA-SECBINFHSA-N 1 0 280.284 -0.423 20 5 CBBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001350332308 890963234 /nfs/dbraw/zinc/96/32/34/890963234.db2.gz ROXZPOBIGYQODI-SECBINFHSA-N 1 0 294.311 -0.065 20 5 CBBDRO CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001355614978 891695684 /nfs/dbraw/zinc/69/56/84/891695684.db2.gz RBVYKDMFJVCAAI-GHMZBOCLSA-N 1 0 298.343 -0.678 20 5 CBBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC001454609450 914234181 /nfs/dbraw/zinc/23/41/81/914234181.db2.gz XINMSPNJLCDIEJ-QMMMGPOBSA-N 1 0 297.315 -0.107 20 5 CBBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c[nH]nc1[N+](=O)[O-] ZINC001468292416 915286764 /nfs/dbraw/zinc/28/67/64/915286764.db2.gz SWEFZYNAEPECEH-VIFPVBQESA-N 1 0 297.315 -0.106 20 5 CBBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC001469258337 915392993 /nfs/dbraw/zinc/39/29/93/915392993.db2.gz FXZBXUOQDQBJDV-SECBINFHSA-N 1 0 297.315 -0.106 20 5 CBBDRO Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001483008424 917374461 /nfs/dbraw/zinc/37/44/61/917374461.db2.gz VUJPPUMCNKTCHS-JGLYPNHGSA-N 1 0 293.327 -0.153 20 5 CBBDRO CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485250329 918036392 /nfs/dbraw/zinc/03/63/92/918036392.db2.gz AUYJNERIDOAODU-RKDXNWHRSA-N 1 0 286.332 -0.789 20 5 CBBDRO CNC(=O)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001490372547 918895921 /nfs/dbraw/zinc/89/59/21/918895921.db2.gz SABSKSZNKONWBA-GHMZBOCLSA-N 1 0 298.343 -0.632 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001515553654 922238067 /nfs/dbraw/zinc/23/80/67/922238067.db2.gz LNJWTNCNGMMAKX-GDGBQDQQSA-N 1 0 279.300 -0.224 20 5 CBBDRO NC(=O)[C@@]1(O)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000375701403 230249214 /nfs/dbraw/zinc/24/92/14/230249214.db2.gz NIKGBVWBYGAOHX-CYBMUJFWSA-N 1 0 295.295 -0.104 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274584042 352541945 /nfs/dbraw/zinc/54/19/45/352541945.db2.gz TUTKCOYOHJZUTN-UHFFFAOYSA-N 1 0 270.289 -0.033 20 5 CBBDRO CN1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000084086975 282684284 /nfs/dbraw/zinc/68/42/84/282684284.db2.gz TXYZCPDKVNRCBX-KOLCDFICSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000352119218 219327616 /nfs/dbraw/zinc/32/76/16/219327616.db2.gz CTUHLPMZTBNEKS-LLVKDONJSA-N 1 0 285.304 -0.250 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000339782178 215338649 /nfs/dbraw/zinc/33/86/49/215338649.db2.gz WXKGXNOSZBQAGF-VXGBXAGGSA-N 1 0 284.316 -0.001 20 5 CBBDRO C[C@H](NC(=O)CNC(=O)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766598 351404441 /nfs/dbraw/zinc/40/44/41/351404441.db2.gz MRLPAEPQMPEZRP-QMMMGPOBSA-N 1 0 280.284 -0.153 20 5 CBBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC000045107360 351449004 /nfs/dbraw/zinc/44/90/04/351449004.db2.gz PQWHHYUQFNBSSM-ONGXEEELSA-N 1 0 271.321 -0.308 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+](CCO)CC1 ZINC000071349574 351644552 /nfs/dbraw/zinc/64/45/52/351644552.db2.gz JAANFHKHORSISK-UHFFFAOYSA-N 1 0 269.305 -0.167 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+](C)C ZINC000068467434 351618948 /nfs/dbraw/zinc/61/89/48/351618948.db2.gz YYDBVINQDFTPQQ-UHFFFAOYSA-N 1 0 255.278 -0.222 20 5 CBBDRO CN(C)C(=O)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075619329 351668743 /nfs/dbraw/zinc/66/87/43/351668743.db2.gz CBHQIGJJZIUTHK-JTQLQIEISA-N 1 0 285.304 -0.828 20 5 CBBDRO CCNC(=O)C[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075598042 351668936 /nfs/dbraw/zinc/66/89/36/351668936.db2.gz KZJSVSZXWWWBNB-LLVKDONJSA-N 1 0 299.331 -0.390 20 5 CBBDRO C[N@H+](CCn1cccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075722017 351671262 /nfs/dbraw/zinc/67/12/62/351671262.db2.gz KBQSDJNKQWLULL-GFCCVEGCSA-N 1 0 294.315 -0.019 20 5 CBBDRO C[C@@H](CCO)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000097440672 351777607 /nfs/dbraw/zinc/77/76/07/351777607.db2.gz RXPMVWDLWYDFJD-ONGXEEELSA-N 1 0 272.305 -0.240 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCOC2)c1 ZINC000109546710 351798822 /nfs/dbraw/zinc/79/88/22/351798822.db2.gz LQGWBGJYDBSGSU-GXSJLCMTSA-N 1 0 270.289 -0.079 20 5 CBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)nc1 ZINC000095091929 351767877 /nfs/dbraw/zinc/76/78/77/351767877.db2.gz KRZFDGLIDPHKAJ-ZETCQYMHSA-N 1 0 272.286 -0.370 20 5 CBBDRO CC(C)[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000124821330 351856885 /nfs/dbraw/zinc/85/68/85/351856885.db2.gz ISXYKLSKARLBER-MNOVXSKESA-N 1 0 272.305 -0.241 20 5 CBBDRO CC[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000124699496 351857148 /nfs/dbraw/zinc/85/71/48/351857148.db2.gz CAURWXJAHKHDRF-VHSXEESVSA-N 1 0 258.278 -0.487 20 5 CBBDRO CN1CCO[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000129970192 351875843 /nfs/dbraw/zinc/87/58/43/351875843.db2.gz AHNHKCDERZMTKT-SNVBAGLBSA-N 1 0 283.288 -0.762 20 5 CBBDRO CC(C)N(CC[NH+](C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000151922802 351937896 /nfs/dbraw/zinc/93/78/96/351937896.db2.gz MWPVLBAYIMGELG-UHFFFAOYSA-N 1 0 284.320 -0.015 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000133025573 351897339 /nfs/dbraw/zinc/89/73/39/351897339.db2.gz LKLFNZVYFQUZRN-SNVBAGLBSA-N 1 0 270.293 -0.309 20 5 CBBDRO CC[C@@H](CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134393150 351905469 /nfs/dbraw/zinc/90/54/69/351905469.db2.gz XPJKEZZCBWIREF-GXSJLCMTSA-N 1 0 272.305 -0.097 20 5 CBBDRO CC[C@@H](CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134393104 351905871 /nfs/dbraw/zinc/90/58/71/351905871.db2.gz XPJKEZZCBWIREF-ONGXEEELSA-N 1 0 272.305 -0.097 20 5 CBBDRO NC(=O)c1ccc(CN2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000165009778 351985502 /nfs/dbraw/zinc/98/55/02/351985502.db2.gz MERJKXGJYSIHOL-NSHDSACASA-N 1 0 294.311 -0.147 20 5 CBBDRO COCC[N@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174870079 352052402 /nfs/dbraw/zinc/05/24/02/352052402.db2.gz ATUUZNJFJBMIMA-UHFFFAOYSA-N 1 0 258.278 -0.268 20 5 CBBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000173343293 352035659 /nfs/dbraw/zinc/03/56/59/352035659.db2.gz KQGGEECLPNTXGR-VHSXEESVSA-N 1 0 299.331 -0.358 20 5 CBBDRO C[N@@H+](CC(=O)NC1CC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173501285 352038144 /nfs/dbraw/zinc/03/81/44/352038144.db2.gz DRADBXSIQGBFMK-LLVKDONJSA-N 1 0 297.315 -0.637 20 5 CBBDRO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173563616 352039561 /nfs/dbraw/zinc/03/95/61/352039561.db2.gz CZVQRAWAACHZFR-QWRGUYRKSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186707034 352129824 /nfs/dbraw/zinc/12/98/24/352129824.db2.gz ZFSLFOSAOWNECT-PSASIEDQSA-N 1 0 267.289 -0.095 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(CO)CC1 ZINC000186789095 352131749 /nfs/dbraw/zinc/13/17/49/352131749.db2.gz FIRCCRBIJTXUSK-LLVKDONJSA-N 1 0 284.316 -0.144 20 5 CBBDRO NC(=O)c1ccc(CN2C[C@@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000179171312 352088781 /nfs/dbraw/zinc/08/87/81/352088781.db2.gz PGCQDIKYMJFMTI-MNOVXSKESA-N 1 0 295.295 -0.379 20 5 CBBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000190374898 352179273 /nfs/dbraw/zinc/17/92/73/352179273.db2.gz IXPSBSOCJWHIOH-ADEWGFFLSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@@H](O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO ZINC000190817004 352184133 /nfs/dbraw/zinc/18/41/33/352184133.db2.gz QMSURNZKPXZMGW-VHSXEESVSA-N 1 0 272.305 -0.145 20 5 CBBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000187703625 352142478 /nfs/dbraw/zinc/14/24/78/352142478.db2.gz BIWIUKLRDHSINK-LLVKDONJSA-N 1 0 283.332 -0.210 20 5 CBBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000212705205 352229735 /nfs/dbraw/zinc/22/97/35/352229735.db2.gz WMFMJOIMQYRQBI-UHFFFAOYSA-N 1 0 270.289 -0.101 20 5 CBBDRO Cn1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000227227829 352256431 /nfs/dbraw/zinc/25/64/31/352256431.db2.gz POVWJVFOKXVPBO-GFCCVEGCSA-N 1 0 294.315 -0.282 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000228747122 352265209 /nfs/dbraw/zinc/26/52/09/352265209.db2.gz MIXSHMBGJAHROT-LLVKDONJSA-N 1 0 270.289 -0.035 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C[NH2+]1 ZINC000237443429 352304811 /nfs/dbraw/zinc/30/48/11/352304811.db2.gz HJLYDTPTBZYAMO-HTQZYQBOSA-N 1 0 268.277 -0.605 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000237576841 352306751 /nfs/dbraw/zinc/30/67/51/352306751.db2.gz PULNNSSFBWOMFN-VIFPVBQESA-N 1 0 267.289 -0.047 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C[NH2+]1 ZINC000237615756 352307952 /nfs/dbraw/zinc/30/79/52/352307952.db2.gz HJLYDTPTBZYAMO-YUMQZZPRSA-N 1 0 268.277 -0.605 20 5 CBBDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248602159 352354091 /nfs/dbraw/zinc/35/40/91/352354091.db2.gz URSZEJVXCWYOGT-HOSYDEDBSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@@]1(O)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245880912 352325512 /nfs/dbraw/zinc/32/55/12/352325512.db2.gz ICPORKCTRWXGMI-VXGBXAGGSA-N 1 0 284.316 -0.001 20 5 CBBDRO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247226940 352344810 /nfs/dbraw/zinc/34/48/10/352344810.db2.gz CZVQRAWAACHZFR-MNOVXSKESA-N 1 0 297.315 -0.637 20 5 CBBDRO NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247475094 352347474 /nfs/dbraw/zinc/34/74/74/352347474.db2.gz JOPJPZIPFSHDCK-ZJUUUORDSA-N 1 0 283.288 -0.898 20 5 CBBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249616185 352369685 /nfs/dbraw/zinc/36/96/85/352369685.db2.gz SUXYVRUSVAJWFD-FBIMIBRVSA-N 1 0 297.315 -0.734 20 5 CBBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1CO ZINC000248910807 352357456 /nfs/dbraw/zinc/35/74/56/352357456.db2.gz IXPSBSOCJWHIOH-USWWRNFRSA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@]1(C[NH3+])CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000262078757 352406571 /nfs/dbraw/zinc/40/65/71/352406571.db2.gz SZQHHHXSUUWZTB-LLVKDONJSA-N 1 0 267.289 -0.011 20 5 CBBDRO COc1cc(C[NH2+]C[C@@H](O)CO)c([N+](=O)[O-])cc1O ZINC000276704292 352561151 /nfs/dbraw/zinc/56/11/51/352561151.db2.gz FRYKCWJDVKQTHQ-MRVPVSSYSA-N 1 0 272.257 -0.248 20 5 CBBDRO O=[N+]([O-])c1cnn(CC[NH+]2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287623109 352658298 /nfs/dbraw/zinc/65/82/98/352658298.db2.gz ZWUBESRXISWXRO-NXEZZACHSA-N 1 0 270.289 -0.391 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287614815 352658558 /nfs/dbraw/zinc/65/85/58/352658558.db2.gz ZMLMSMLIBZNTOX-VXGBXAGGSA-N 1 0 297.311 -0.426 20 5 CBBDRO C[N@@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298688727 352714241 /nfs/dbraw/zinc/71/42/41/352714241.db2.gz CMPAOWMNXCYADM-UHFFFAOYSA-N 1 0 267.289 -0.045 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](O)C2)c1 ZINC000304289840 352746416 /nfs/dbraw/zinc/74/64/16/352746416.db2.gz BYJJXERTCMSEHA-VHSXEESVSA-N 1 0 256.262 -0.781 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000304380530 352746649 /nfs/dbraw/zinc/74/66/49/352746649.db2.gz YFEHPDRWCVORFL-ZYHUDNBSSA-N 1 0 284.316 -0.144 20 5 CBBDRO CC[NH+]1CCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000331018303 352867181 /nfs/dbraw/zinc/86/71/81/352867181.db2.gz ZAEFRBWXSWOCEY-UHFFFAOYSA-N 1 0 296.331 -0.315 20 5 CBBDRO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CCO ZINC000331120248 352880117 /nfs/dbraw/zinc/88/01/17/352880117.db2.gz AOPWUHCJRVHMNN-SNVBAGLBSA-N 1 0 283.332 -0.173 20 5 CBBDRO CC1(C)CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000331251578 352896596 /nfs/dbraw/zinc/89/65/96/352896596.db2.gz PKNMWQKTHYJIQP-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO C[C@H]1C[N@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256443 352897551 /nfs/dbraw/zinc/89/75/51/352897551.db2.gz WKMZPVSXSYSIOG-CMPLNLGQSA-N 1 0 283.332 -0.212 20 5 CBBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000340948717 353194114 /nfs/dbraw/zinc/19/41/14/353194114.db2.gz GCEFGOSXDSRQLB-VIFPVBQESA-N 1 0 298.303 -0.977 20 5 CBBDRO C[C@H](C[NH+](C)C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000346238117 353367272 /nfs/dbraw/zinc/36/72/72/353367272.db2.gz ZXBDWHCJTLLIEU-SECBINFHSA-N 1 0 282.300 -0.177 20 5 CBBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000346303190 353370457 /nfs/dbraw/zinc/37/04/57/353370457.db2.gz WUPGZPWPDOLJSW-GFCCVEGCSA-N 1 0 294.315 -0.260 20 5 CBBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000346303192 353370598 /nfs/dbraw/zinc/37/05/98/353370598.db2.gz WUPGZPWPDOLJSW-LBPRGKRZSA-N 1 0 294.315 -0.260 20 5 CBBDRO C[N@H+](CCCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000349919197 353467689 /nfs/dbraw/zinc/46/76/89/353467689.db2.gz GUVWPXDJCAQPCO-LLVKDONJSA-N 1 0 272.305 -0.144 20 5 CBBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354006707 353538251 /nfs/dbraw/zinc/53/82/51/353538251.db2.gz NCTFHCWMWNHADI-SECBINFHSA-N 1 0 282.304 -0.261 20 5 CBBDRO Cn1c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358046027 353620902 /nfs/dbraw/zinc/62/09/02/353620902.db2.gz KBTCZWIFLDSBRV-GFCCVEGCSA-N 1 0 282.300 -0.270 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358046273 353621575 /nfs/dbraw/zinc/62/15/75/353621575.db2.gz KOKOBGQZODHOQO-LBPRGKRZSA-N 1 0 297.315 -0.717 20 5 CBBDRO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+](C)C ZINC000357858376 353610158 /nfs/dbraw/zinc/61/01/58/353610158.db2.gz AHUJTLOMLQGLAD-ZETCQYMHSA-N 1 0 256.266 -0.747 20 5 CBBDRO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CCO1 ZINC000371649938 353705149 /nfs/dbraw/zinc/70/51/49/353705149.db2.gz KTKPDLHESFBBHU-KXUCPTDWSA-N 1 0 257.290 -0.559 20 5 CBBDRO CCOC(=O)C1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000374642184 353747735 /nfs/dbraw/zinc/74/77/35/353747735.db2.gz BQHMJFCJEZIUDV-NXEZZACHSA-N 1 0 299.327 -0.205 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405303586 353807143 /nfs/dbraw/zinc/80/71/43/353807143.db2.gz JUIQRXQUZXIXBQ-VHSXEESVSA-N 1 0 280.284 -0.186 20 5 CBBDRO Nc1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1[N+](=O)[O-] ZINC000405288335 353807365 /nfs/dbraw/zinc/80/73/65/353807365.db2.gz YRHPTGPFEADOFY-DTWKUNHWSA-N 1 0 279.300 -0.173 20 5 CBBDRO COCC(COC)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388482235 353789579 /nfs/dbraw/zinc/78/95/79/353789579.db2.gz VWRODZOQIVHWLO-LLVKDONJSA-N 1 0 288.304 -0.597 20 5 CBBDRO C[C@H]1CN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000408111610 353850692 /nfs/dbraw/zinc/85/06/92/353850692.db2.gz DIMOCTBVDSUFPL-VIFPVBQESA-N 1 0 267.289 -0.046 20 5 CBBDRO C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000417908857 353985402 /nfs/dbraw/zinc/98/54/02/353985402.db2.gz JCXNBYBHJOUPFS-SECBINFHSA-N 1 0 282.304 -0.205 20 5 CBBDRO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[NH2+]1 ZINC000446439208 354287466 /nfs/dbraw/zinc/28/74/66/354287466.db2.gz VWKIWXDUOPALAB-ZETCQYMHSA-N 1 0 253.262 -0.238 20 5 CBBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000562978092 354691102 /nfs/dbraw/zinc/69/11/02/354691102.db2.gz WVNOVWIAHJUKJF-HTQZYQBOSA-N 1 0 255.278 -0.109 20 5 CBBDRO COC[C@]1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CCC[NH2+]1 ZINC000564449621 354713061 /nfs/dbraw/zinc/71/30/61/354713061.db2.gz GTRMFOREQQPKHH-GFCCVEGCSA-N 1 0 297.315 -0.173 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc[nH]n2)c1 ZINC000566107673 354752524 /nfs/dbraw/zinc/75/25/24/354752524.db2.gz PLYVDKUPPRNMNY-SNVBAGLBSA-N 1 0 266.261 -0.335 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000565370795 354736870 /nfs/dbraw/zinc/73/68/70/354736870.db2.gz MCAQQRRFEUYNMH-WPRPVWTQSA-N 1 0 269.305 -0.565 20 5 CBBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000568867241 354833948 /nfs/dbraw/zinc/83/39/48/354833948.db2.gz PEFVXVZPBSYTPX-HTQZYQBOSA-N 1 0 268.273 -0.392 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000569358659 354843123 /nfs/dbraw/zinc/84/31/23/354843123.db2.gz FYQFGZBAIWBZBH-HTQZYQBOSA-N 1 0 265.273 -0.001 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573111087 354904849 /nfs/dbraw/zinc/90/48/49/354904849.db2.gz SJWZTGNNIXFKOO-LBPRGKRZSA-N 1 0 294.315 -0.212 20 5 CBBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000571816462 354881401 /nfs/dbraw/zinc/88/14/01/354881401.db2.gz NXJGGKHUDQDXGJ-UHFFFAOYSA-N 1 0 298.347 -0.069 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000580191613 354989588 /nfs/dbraw/zinc/98/95/88/354989588.db2.gz QCRCCEUNBDZOIE-RQJHMYQMSA-N 1 0 291.333 -0.175 20 5 CBBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000590445762 355080827 /nfs/dbraw/zinc/08/08/27/355080827.db2.gz RPAWIOGWPCVYJC-IUCAKERBSA-N 1 0 280.288 -0.651 20 5 CBBDRO Cc1n[nH]c(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000588867576 355061871 /nfs/dbraw/zinc/06/18/71/355061871.db2.gz XLEWPKZLXYROJP-VIFPVBQESA-N 1 0 297.315 -0.187 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000588863655 355062440 /nfs/dbraw/zinc/06/24/40/355062440.db2.gz BIZLZDCHSJZIEZ-SECBINFHSA-N 1 0 285.304 -0.780 20 5 CBBDRO CC(C)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000592543532 355160091 /nfs/dbraw/zinc/16/00/91/355160091.db2.gz FRUGVSHZTRVSHV-SECBINFHSA-N 1 0 282.304 -0.357 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592553357 355162598 /nfs/dbraw/zinc/16/25/98/355162598.db2.gz JUXMRWJNWOMBIE-QMMMGPOBSA-N 1 0 297.271 -0.705 20 5 CBBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000592224680 355144510 /nfs/dbraw/zinc/14/45/10/355144510.db2.gz OFGSFAVQKKEIRM-WCBMZHEXSA-N 1 0 267.289 -0.095 20 5 CBBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000592224681 355144799 /nfs/dbraw/zinc/14/47/99/355144799.db2.gz OFGSFAVQKKEIRM-WPRPVWTQSA-N 1 0 267.289 -0.095 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000592383325 355150463 /nfs/dbraw/zinc/15/04/63/355150463.db2.gz NMVHJRBDTNHTQJ-KNVOCYPGSA-N 1 0 289.317 -0.421 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(CO)CCC2)c1 ZINC000592430203 355152690 /nfs/dbraw/zinc/15/26/90/355152690.db2.gz HQRDXYWLNXCYGF-NSHDSACASA-N 1 0 284.316 -0.096 20 5 CBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000592477201 355156077 /nfs/dbraw/zinc/15/60/77/355156077.db2.gz SLURAZXATHXFNB-PSASIEDQSA-N 1 0 283.288 -0.634 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000592477266 355156492 /nfs/dbraw/zinc/15/64/92/355156492.db2.gz UMGZFCBSQWJBSI-BDAKNGLRSA-N 1 0 283.288 -0.634 20 5 CBBDRO CCO[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000593916384 355230161 /nfs/dbraw/zinc/23/01/61/355230161.db2.gz JEBDMNYKQXJYCQ-NXEZZACHSA-N 1 0 297.315 -0.387 20 5 CBBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(F)(F)F ZINC000594451128 355248640 /nfs/dbraw/zinc/24/86/40/355248640.db2.gz LLFHBKYPJWIVJO-SCSAIBSYSA-N 1 0 267.167 -0.063 20 5 CBBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393780 355245041 /nfs/dbraw/zinc/24/50/41/355245041.db2.gz PQLNSIBDYNZFOS-WDEREUQCSA-N 1 0 292.295 -0.119 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594387567 355245422 /nfs/dbraw/zinc/24/54/22/355245422.db2.gz UMCCZNYOHCVIDG-JGVFFNPUSA-N 1 0 281.272 -0.791 20 5 CBBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595101871 355271545 /nfs/dbraw/zinc/27/15/45/355271545.db2.gz HRUHFUNFCQPGJE-ZETCQYMHSA-N 1 0 274.302 -0.043 20 5 CBBDRO [NH3+][C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@H]1F ZINC000595261407 355275572 /nfs/dbraw/zinc/27/55/72/355275572.db2.gz ZFBQRPPDCSSKCJ-HTQZYQBOSA-N 1 0 271.252 -0.311 20 5 CBBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000594624762 355255073 /nfs/dbraw/zinc/25/50/73/355255073.db2.gz AZPLLDTVYZVNNU-HTQZYQBOSA-N 1 0 268.277 -0.476 20 5 CBBDRO [NH3+]C[C@H](O)CCc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649834 355256351 /nfs/dbraw/zinc/25/63/51/355256351.db2.gz OAEJRFYHEJJTKC-SNVBAGLBSA-N 1 0 278.272 -0.177 20 5 CBBDRO [NH3+][C@H](CO)Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594652775 355256677 /nfs/dbraw/zinc/25/66/77/355256677.db2.gz OGVHKYMQDPISMU-ZETCQYMHSA-N 1 0 279.256 -0.257 20 5 CBBDRO [NH3+][C@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])s3)CCN2C1=O ZINC000594694783 355258367 /nfs/dbraw/zinc/25/83/67/355258367.db2.gz SZNCBGQSPKCJBP-BQBZGAKWSA-N 1 0 283.313 -0.201 20 5 CBBDRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595765591 355305251 /nfs/dbraw/zinc/30/52/51/355305251.db2.gz JQRKEAHDYVJREI-MVWJERBFSA-N 1 0 284.316 -0.003 20 5 CBBDRO C[NH2+]C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000595984921 355335592 /nfs/dbraw/zinc/33/55/92/355335592.db2.gz XYRBWGXZASMMPL-QMMMGPOBSA-N 1 0 268.273 -0.519 20 5 CBBDRO COc1ccc(CN(CC[NH3+])C[C@H](O)CO)cc1[N+](=O)[O-] ZINC000595901182 355316707 /nfs/dbraw/zinc/31/67/07/355316707.db2.gz CYSJUKYMPLXIKL-NSHDSACASA-N 1 0 299.327 -0.283 20 5 CBBDRO [NH3+]CCN(Cc1csc([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000595901148 355316710 /nfs/dbraw/zinc/31/67/10/355316710.db2.gz BOBJOKGFGCRGHX-SECBINFHSA-N 1 0 275.330 -0.230 20 5 CBBDRO [NH3+]CCN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000595902181 355316856 /nfs/dbraw/zinc/31/68/56/355316856.db2.gz LCWZQDZSJJJNSP-LLVKDONJSA-N 1 0 269.301 -0.291 20 5 CBBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C1(O)C[NH2+]C1 ZINC000595924980 355319270 /nfs/dbraw/zinc/31/92/70/355319270.db2.gz LSQXNIXVXBIAOW-UHFFFAOYSA-N 1 0 251.242 -0.455 20 5 CBBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595956595 355328168 /nfs/dbraw/zinc/32/81/68/355328168.db2.gz OFRRDKYSUXMRSQ-NXEZZACHSA-N 1 0 283.288 -0.729 20 5 CBBDRO C[C@@]1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[NH2+]C1 ZINC000595993119 355337079 /nfs/dbraw/zinc/33/70/79/355337079.db2.gz VVBQHPWOULLUDA-GFCCVEGCSA-N 1 0 280.284 -0.375 20 5 CBBDRO [NH3+]CC12CC(C1)CN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000595965727 355330533 /nfs/dbraw/zinc/33/05/33/355330533.db2.gz JAPSZTSSELFYKG-UHFFFAOYSA-N 1 0 292.295 -0.294 20 5 CBBDRO C[C@]1(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC000597430901 355386361 /nfs/dbraw/zinc/38/63/61/355386361.db2.gz BCTCZBGNDHJZDB-NSHDSACASA-N 1 0 282.304 -0.158 20 5 CBBDRO Cn1c(C(=O)N2CCOC3(C[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000596097182 355343785 /nfs/dbraw/zinc/34/37/85/355343785.db2.gz FYARXNVHRGZMBS-UHFFFAOYSA-N 1 0 280.284 -0.252 20 5 CBBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC2(C[NH2+]C2)C1 ZINC000596581565 355359024 /nfs/dbraw/zinc/35/90/24/355359024.db2.gz ZZQRQACGZKFIBZ-UHFFFAOYSA-N 1 0 266.257 -0.263 20 5 CBBDRO CCc1n[nH]c(C(=O)N[C@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000597654995 355403481 /nfs/dbraw/zinc/40/34/81/355403481.db2.gz XBVNWBCWAIMDIJ-ZETCQYMHSA-N 1 0 285.304 -0.467 20 5 CBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597654218 355403494 /nfs/dbraw/zinc/40/34/94/355403494.db2.gz PSCQSZJBWZLISZ-ZETCQYMHSA-N 1 0 256.262 -0.425 20 5 CBBDRO C[NH+](C)C[C@H](CO)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597652403 355403830 /nfs/dbraw/zinc/40/38/30/355403830.db2.gz AZWZCKLFESDQBW-SECBINFHSA-N 1 0 299.331 -0.435 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+](C)C)n1 ZINC000597655570 355404627 /nfs/dbraw/zinc/40/46/27/355404627.db2.gz YPZBUPOGESUKJE-MRVPVSSYSA-N 1 0 285.304 -0.537 20 5 CBBDRO CN(CCC[NH+](C)C)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597989850 355425497 /nfs/dbraw/zinc/42/54/97/355425497.db2.gz KPGCSNWFMGZOJV-UHFFFAOYSA-N 1 0 298.347 -0.069 20 5 CBBDRO CC(C)[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000598569866 355445568 /nfs/dbraw/zinc/44/55/68/355445568.db2.gz FRUGVSHZTRVSHV-VIFPVBQESA-N 1 0 282.304 -0.357 20 5 CBBDRO C[NH+]1CC2(C1)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000597571414 355396802 /nfs/dbraw/zinc/39/68/02/355396802.db2.gz IMAFMBXGZLCPTC-UHFFFAOYSA-N 1 0 280.288 -0.650 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC12CCC[NH+]1CCC2 ZINC000597586687 355397595 /nfs/dbraw/zinc/39/75/95/355397595.db2.gz HJIMBHKMTFAFSH-UHFFFAOYSA-N 1 0 294.315 -0.069 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643639 355505767 /nfs/dbraw/zinc/50/57/67/355505767.db2.gz BIDMCIXGZPICSW-DTORHVGOSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643685 355505877 /nfs/dbraw/zinc/50/58/77/355505877.db2.gz DEIRWKBCKQJFJQ-NGZCFLSTSA-N 1 0 297.315 -0.652 20 5 CBBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000598915816 355455730 /nfs/dbraw/zinc/45/57/30/355455730.db2.gz QIAGGXCLKFAEAU-URLYPYJESA-N 1 0 290.279 -0.133 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)C[NH3+])n1 ZINC000599097050 355463616 /nfs/dbraw/zinc/46/36/16/355463616.db2.gz DMSRSQGLARCNRW-UHFFFAOYSA-N 1 0 277.306 -0.656 20 5 CBBDRO CCN(CC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599098078 355463833 /nfs/dbraw/zinc/46/38/33/355463833.db2.gz AYJHAKDOIPWHIN-UHFFFAOYSA-N 1 0 274.302 -0.041 20 5 CBBDRO CN(CCOCC[NH3+])C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599612888 355504233 /nfs/dbraw/zinc/50/42/33/355504233.db2.gz NBACXNFIENABAD-UHFFFAOYSA-N 1 0 283.288 -0.149 20 5 CBBDRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccncc1[N+](=O)[O-] ZINC000599614948 355504289 /nfs/dbraw/zinc/50/42/89/355504289.db2.gz WPIQFYQSCJRZIB-MRVPVSSYSA-N 1 0 281.272 -0.478 20 5 CBBDRO CN1CCOC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000599159346 355467684 /nfs/dbraw/zinc/46/76/84/355467684.db2.gz AQFYRBZYAVKHDH-MRVPVSSYSA-N 1 0 295.299 -0.169 20 5 CBBDRO NC(=O)c1ccnc(NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199648 355472082 /nfs/dbraw/zinc/47/20/82/355472082.db2.gz OKHIAWRGIODUPT-QMMMGPOBSA-N 1 0 295.299 -0.433 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCN(C)C2)n1 ZINC000599218256 355473116 /nfs/dbraw/zinc/47/31/16/355473116.db2.gz OJZCCKATQLTVRM-SSDOTTSWSA-N 1 0 289.317 -0.689 20 5 CBBDRO CN(CC[NH+](C)C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247504 355473939 /nfs/dbraw/zinc/47/39/39/355473939.db2.gz CRDBJNKWTJNTSD-UHFFFAOYSA-N 1 0 291.333 -0.490 20 5 CBBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000599921333 355518495 /nfs/dbraw/zinc/51/84/95/355518495.db2.gz QXEJYIJBSHFBGJ-WCBMZHEXSA-N 1 0 282.304 -0.159 20 5 CBBDRO CN1CCOC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600756726 355564625 /nfs/dbraw/zinc/56/46/25/355564625.db2.gz OVSXPFQXRGXCBW-VXGBXAGGSA-N 1 0 299.331 -0.928 20 5 CBBDRO CN1CCOC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600756724 355565345 /nfs/dbraw/zinc/56/53/45/355565345.db2.gz OVSXPFQXRGXCBW-NWDGAFQWSA-N 1 0 299.331 -0.928 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590722 355664006 /nfs/dbraw/zinc/66/40/06/355664006.db2.gz YXXRTYNHERCZIH-YUMQZZPRSA-N 1 0 251.246 -0.636 20 5 CBBDRO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000602124189 355631827 /nfs/dbraw/zinc/63/18/27/355631827.db2.gz KWWTXXOKQAFZJI-MRVPVSSYSA-N 1 0 255.278 -0.142 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCO1 ZINC000603430130 355715257 /nfs/dbraw/zinc/71/52/57/355715257.db2.gz SWFWDGZHXBDSIM-SCZZXKLOSA-N 1 0 269.305 -0.124 20 5 CBBDRO CN(CC(=O)N1CC[NH2+]CC1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000603427306 355715324 /nfs/dbraw/zinc/71/53/24/355715324.db2.gz CNDAXULGBMICGA-UHFFFAOYSA-N 1 0 296.331 -0.808 20 5 CBBDRO Cn1cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])n1 ZINC000603428661 355715331 /nfs/dbraw/zinc/71/53/31/355715331.db2.gz LATYLGZUXGRLKR-LBPRGKRZSA-N 1 0 294.359 -0.192 20 5 CBBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602836476 355674615 /nfs/dbraw/zinc/67/46/15/355674615.db2.gz FNYYOBGENQHBFX-JTQLQIEISA-N 1 0 283.332 -0.173 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609383435 355769009 /nfs/dbraw/zinc/76/90/09/355769009.db2.gz NUZZCWVONIEGAL-SNVBAGLBSA-N 1 0 294.315 -0.213 20 5 CBBDRO C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000604532470 355725781 /nfs/dbraw/zinc/72/57/81/355725781.db2.gz PIDSPGUGHAEMSA-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCCO)C2CC2)c1 ZINC000610369664 355777840 /nfs/dbraw/zinc/77/78/40/355777840.db2.gz RRMSYBXJWNOKLV-GFCCVEGCSA-N 1 0 284.316 -0.001 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000574037256 334986743 /nfs/dbraw/zinc/98/67/43/334986743.db2.gz JSAVBXOPMYYDJF-JQWIXIFHSA-N 1 0 279.300 -0.093 20 5 CBBDRO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC([NH3+])C1 ZINC000294872161 199225264 /nfs/dbraw/zinc/22/52/64/199225264.db2.gz PIFLZKMOWCWUCF-UHFFFAOYSA-N 1 0 280.284 -0.295 20 5 CBBDRO C[NH2+]CCN(C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000263259717 283525185 /nfs/dbraw/zinc/52/51/85/283525185.db2.gz SEBICTWHQKVJDY-UHFFFAOYSA-N 1 0 255.278 -0.072 20 5 CBBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249616186 283573526 /nfs/dbraw/zinc/57/35/26/283573526.db2.gz SUXYVRUSVAJWFD-IEBDPFPHSA-N 1 0 297.315 -0.734 20 5 CBBDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000183150801 189348504 /nfs/dbraw/zinc/34/85/04/189348504.db2.gz URSZEJVXCWYOGT-UMNHJUIQSA-N 1 0 284.316 -0.145 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000183975336 189373416 /nfs/dbraw/zinc/37/34/16/189373416.db2.gz ZKERYOAUOLDIMS-UHFFFAOYSA-N 1 0 271.277 -0.638 20 5 CBBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@H]21 ZINC000342763781 216517717 /nfs/dbraw/zinc/51/77/17/216517717.db2.gz YVOSJJLIJYIDJQ-LPEHRKFASA-N 1 0 294.315 -0.228 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(O)C1 ZINC000331609266 204009969 /nfs/dbraw/zinc/00/99/69/204009969.db2.gz PAUXQGINEIXBKG-RFBVYIQQSA-N 1 0 270.289 -0.393 20 5 CBBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238091412 189899534 /nfs/dbraw/zinc/89/95/34/189899534.db2.gz BKHUZGBWWUCNBF-ONGXEEELSA-N 1 0 294.311 -0.154 20 5 CBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285817223 372944348 /nfs/dbraw/zinc/94/43/48/372944348.db2.gz GPWVMDZOBSJADD-MRVPVSSYSA-N 1 0 282.304 -0.707 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000514672378 373759677 /nfs/dbraw/zinc/75/96/77/373759677.db2.gz NEYRYBMJDKNFSL-LURJTMIESA-N 1 0 255.234 -0.882 20 5 CBBDRO C[NH+](C)CCOCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554863487 374284696 /nfs/dbraw/zinc/28/46/96/374284696.db2.gz KCTSNDSNENJWQG-UHFFFAOYSA-N 1 0 271.277 -0.374 20 5 CBBDRO COCCN(CC[NH+](C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000264188810 190095297 /nfs/dbraw/zinc/09/52/97/190095297.db2.gz OCJDAPNAWWYODA-UHFFFAOYSA-N 1 0 299.331 -0.172 20 5 CBBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000264584179 190120506 /nfs/dbraw/zinc/12/05/06/190120506.db2.gz UZEKMAHBWWVKOM-JTQLQIEISA-N 1 0 297.315 -0.372 20 5 CBBDRO COCC[NH2+]CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000237276273 248164827 /nfs/dbraw/zinc/16/48/27/248164827.db2.gz SOQUSFDRDRTDSJ-UHFFFAOYSA-N 1 0 285.304 -0.466 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357451132 248365016 /nfs/dbraw/zinc/36/50/16/248365016.db2.gz FTMUKDCJFXOPSC-GFCCVEGCSA-N 1 0 295.299 -0.433 20 5 CBBDRO CCn1cc(S(=O)(=O)N(C)C2C[NH2+]C2)c([N+](=O)[O-])n1 ZINC000357488352 248369857 /nfs/dbraw/zinc/36/98/57/248369857.db2.gz TUQGYKPBFLNUHV-UHFFFAOYSA-N 1 0 289.317 -0.597 20 5 CBBDRO CO[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000267639536 190343330 /nfs/dbraw/zinc/34/33/30/190343330.db2.gz IKCQFSKWNDMRBJ-QWRGUYRKSA-N 1 0 270.289 -0.127 20 5 CBBDRO CO[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000267639534 190343530 /nfs/dbraw/zinc/34/35/30/190343530.db2.gz IKCQFSKWNDMRBJ-MNOVXSKESA-N 1 0 270.289 -0.127 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2CCO)c1 ZINC000426257370 208044671 /nfs/dbraw/zinc/04/46/71/208044671.db2.gz VPZJLVZWIISJRA-CMPLNLGQSA-N 1 0 284.316 -0.001 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](CC)CCO)n1 ZINC000427687737 208068251 /nfs/dbraw/zinc/06/82/51/208068251.db2.gz ACEMBCXLQRWVKT-UHFFFAOYSA-N 1 0 299.331 -0.145 20 5 CBBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCN1CCO ZINC000428144793 208079360 /nfs/dbraw/zinc/07/93/60/208079360.db2.gz JNSJOGPDXGGDKO-SECBINFHSA-N 1 0 297.315 -0.533 20 5 CBBDRO [NH3+]CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000428470232 208088949 /nfs/dbraw/zinc/08/89/49/208088949.db2.gz NLUJAVHPJBOVSF-UHFFFAOYSA-N 1 0 254.246 -0.779 20 5 CBBDRO [NH3+]C[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000428514459 208090814 /nfs/dbraw/zinc/09/08/14/208090814.db2.gz WDGNPCRELXHSPO-SNVBAGLBSA-N 1 0 294.311 -0.046 20 5 CBBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000428514457 208091537 /nfs/dbraw/zinc/09/15/37/208091537.db2.gz WDGNPCRELXHSPO-JTQLQIEISA-N 1 0 294.311 -0.046 20 5 CBBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428627638 208094750 /nfs/dbraw/zinc/09/47/50/208094750.db2.gz XYNQSAMKZXXAOP-VIFPVBQESA-N 1 0 267.289 -0.011 20 5 CBBDRO [NH3+]C[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428627637 208094780 /nfs/dbraw/zinc/09/47/80/208094780.db2.gz XYNQSAMKZXXAOP-SECBINFHSA-N 1 0 267.289 -0.011 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CC[NH2+]CC1 ZINC000428648427 208094817 /nfs/dbraw/zinc/09/48/17/208094817.db2.gz LLXJLLDEMSYVQM-UHFFFAOYSA-N 1 0 296.331 -0.879 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000429008814 208105078 /nfs/dbraw/zinc/10/50/78/208105078.db2.gz NXWLJTOKSKLYFV-QMMMGPOBSA-N 1 0 253.262 -0.341 20 5 CBBDRO CC(C)[C@H]([NH3+])CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429178996 208115090 /nfs/dbraw/zinc/11/50/90/208115090.db2.gz FWAPAEHCACAUPY-SSDOTTSWSA-N 1 0 256.266 -0.714 20 5 CBBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000432516993 208224532 /nfs/dbraw/zinc/22/45/32/208224532.db2.gz YMLLPEBMEMYEEM-KOLCDFICSA-N 1 0 294.311 -0.129 20 5 CBBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000434707106 208267638 /nfs/dbraw/zinc/26/76/38/208267638.db2.gz PTKGJDNDSUQESQ-YUMQZZPRSA-N 1 0 268.277 -0.557 20 5 CBBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O ZINC000440964166 208348047 /nfs/dbraw/zinc/34/80/47/208348047.db2.gz NLPBFMHJEJIQKK-WDEREUQCSA-N 1 0 297.315 -0.637 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)C2CCC2)c1 ZINC000439270724 208321601 /nfs/dbraw/zinc/32/16/01/208321601.db2.gz HJLXUUOSSZNSAV-GFCCVEGCSA-N 1 0 284.316 -0.001 20 5 CBBDRO C[C@H](C[NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000441617707 208351463 /nfs/dbraw/zinc/35/14/63/208351463.db2.gz DETIRZWUSFTODC-MRVPVSSYSA-N 1 0 268.273 -0.533 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278659509 285165380 /nfs/dbraw/zinc/16/53/80/285165380.db2.gz HTICRBQHTSHOIZ-JLLWLGSASA-N 1 0 298.295 -0.628 20 5 CBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372589482 304382993 /nfs/dbraw/zinc/38/29/93/304382993.db2.gz UHYLEGFYOBBUKV-WISYIIOYSA-N 1 0 283.328 -0.291 20 5 CBBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000285751243 196387922 /nfs/dbraw/zinc/38/79/22/196387922.db2.gz LMHDYKWURQAWEF-ZJUUUORDSA-N 1 0 295.299 -0.137 20 5 CBBDRO CC[NH+](CC)CCOCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000347884691 419800378 /nfs/dbraw/zinc/80/03/78/419800378.db2.gz XHKVNICZGRFYAL-UHFFFAOYSA-N 1 0 298.347 0.159 20 5 CBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000358803704 419920966 /nfs/dbraw/zinc/92/09/66/419920966.db2.gz SUQBVWKZFYILGX-MNOVXSKESA-N 1 0 295.295 -0.058 20 5 CBBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000359284825 419957295 /nfs/dbraw/zinc/95/72/95/419957295.db2.gz VDJNDVZNZBZLJC-UWVGGRQHSA-N 1 0 251.290 -0.058 20 5 CBBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000364932885 420051282 /nfs/dbraw/zinc/05/12/82/420051282.db2.gz FOJZWLILKJADPY-VIFPVBQESA-N 1 0 297.315 -0.153 20 5 CBBDRO O=C1NC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]12 ZINC000368232768 420128126 /nfs/dbraw/zinc/12/81/26/420128126.db2.gz SYZIAYHVIBYADT-ONGXEEELSA-N 1 0 279.300 -0.141 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000368834847 420145031 /nfs/dbraw/zinc/14/50/31/420145031.db2.gz POWISWZEWLFXQG-NSHDSACASA-N 1 0 281.316 -0.192 20 5 CBBDRO Cc1nn(C)c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405268951 420226029 /nfs/dbraw/zinc/22/60/29/420226029.db2.gz NNFNMGWPMSUWPV-VHSXEESVSA-N 1 0 281.316 -0.108 20 5 CBBDRO Cn1c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405232266 420227416 /nfs/dbraw/zinc/22/74/16/420227416.db2.gz REUNRYRYSLCKPA-VHSXEESVSA-N 1 0 294.311 -0.176 20 5 CBBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000419007288 420244260 /nfs/dbraw/zinc/24/42/60/420244260.db2.gz RICBERHOTZAWQF-RKDXNWHRSA-N 1 0 296.331 -0.142 20 5 CBBDRO Nc1nc(NC[C@H]2CCC[N@@H+]2CCCO)ncc1[N+](=O)[O-] ZINC000450600279 420299598 /nfs/dbraw/zinc/29/95/98/420299598.db2.gz VGTOFNJDQSSTFA-SECBINFHSA-N 1 0 296.331 -0.352 20 5 CBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCN2C1=O ZINC000519613886 420384555 /nfs/dbraw/zinc/38/45/55/420384555.db2.gz LJSRUQLAUWBCJW-JGVFFNPUSA-N 1 0 293.283 -0.693 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1O ZINC000565494093 420443233 /nfs/dbraw/zinc/44/32/33/420443233.db2.gz ZAKRDFMFILIGAU-IUCAKERBSA-N 1 0 295.299 -0.681 20 5 CBBDRO Nc1nc(N2CC[C@H]3CC[NH2+][C@H]3C2)ncc1[N+](=O)[O-] ZINC000591439669 420479226 /nfs/dbraw/zinc/47/92/26/420479226.db2.gz XNYVNPXLMBRSHL-SFYZADRCSA-N 1 0 264.289 0.155 20 5 CBBDRO Nc1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000594601631 420486136 /nfs/dbraw/zinc/48/61/36/420486136.db2.gz FEPNHGKIEVSLPW-JGVFFNPUSA-N 1 0 280.288 -0.778 20 5 CBBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)nc1 ZINC000599175649 420491440 /nfs/dbraw/zinc/49/14/40/420491440.db2.gz GRYQBCGUTGSLJF-SNVBAGLBSA-N 1 0 252.274 0.468 20 5 CBBDRO Nc1ccc(NCC[N@@H+]2CC[C@H](O)C2)nc1[N+](=O)[O-] ZINC000599199658 420491813 /nfs/dbraw/zinc/49/18/13/420491813.db2.gz ORPFGUQNKZXXHQ-QMMMGPOBSA-N 1 0 267.289 0.051 20 5 CBBDRO Nc1nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000609075044 420494448 /nfs/dbraw/zinc/49/44/48/420494448.db2.gz MWSUZMIZTRGYGX-RNFRBKRXSA-N 1 0 250.262 -0.377 20 5 CBBDRO O=C([C@H]1C[NH2+]CCO1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000424173984 275009349 /nfs/dbraw/zinc/00/93/49/275009349.db2.gz OVQMEVIFPKFMHN-GFCCVEGCSA-N 1 0 292.295 -0.137 20 5 CBBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000261791478 279158217 /nfs/dbraw/zinc/15/82/17/279158217.db2.gz GNRYRCIEQNPWFK-ZDUSSCGKSA-N 1 0 294.311 -0.046 20 5 CBBDRO COCC(COC)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388482236 327883584 /nfs/dbraw/zinc/88/35/84/327883584.db2.gz VWRODZOQIVHWLO-NSHDSACASA-N 1 0 288.304 -0.597 20 5 CBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000571047633 327984861 /nfs/dbraw/zinc/98/48/61/327984861.db2.gz GFSHBPJAWBSZOA-SECBINFHSA-N 1 0 293.327 -0.190 20 5 CBBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000563645578 328080798 /nfs/dbraw/zinc/08/07/98/328080798.db2.gz FGGUXFZLCYBBMW-VIFPVBQESA-N 1 0 282.304 -0.261 20 5 CBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000394068329 329100911 /nfs/dbraw/zinc/10/09/11/329100911.db2.gz NDHULTHMVXEKQF-MRVPVSSYSA-N 1 0 267.289 -0.444 20 5 CBBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000571880954 329927653 /nfs/dbraw/zinc/92/76/53/329927653.db2.gz RLMHDKPVICHTSZ-UHFFFAOYSA-N 1 0 284.272 -0.339 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C(CO)CO ZINC000575400999 335100810 /nfs/dbraw/zinc/10/08/10/335100810.db2.gz CMVRVHOVCGHXJJ-SNVBAGLBSA-N 1 0 286.284 -0.723 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1CC[NH2+]CC1 ZINC000575915643 335130512 /nfs/dbraw/zinc/13/05/12/335130512.db2.gz GCVSOMMHYAVADX-UHFFFAOYSA-N 1 0 294.311 -0.128 20 5 CBBDRO C[C@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC000576148297 335160597 /nfs/dbraw/zinc/16/05/97/335160597.db2.gz XQOHJZGVECULID-NSHDSACASA-N 1 0 267.289 -0.093 20 5 CBBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000564841250 334523424 /nfs/dbraw/zinc/52/34/24/334523424.db2.gz SBBCWHDHQGAXCL-SSDOTTSWSA-N 1 0 270.293 -0.324 20 5 CBBDRO NC(=O)[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577221270 335325476 /nfs/dbraw/zinc/32/54/76/335325476.db2.gz KPXUBADIHSMBPX-JTQLQIEISA-N 1 0 296.283 -0.641 20 5 CBBDRO Cc1nn(C)c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000577887145 335417314 /nfs/dbraw/zinc/41/73/14/335417314.db2.gz GKIIIQGYLOHIGA-BDAKNGLRSA-N 1 0 294.315 -0.615 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000578235911 335590186 /nfs/dbraw/zinc/59/01/86/335590186.db2.gz JEYUXNAOKCTFFL-MRVPVSSYSA-N 1 0 282.304 -0.957 20 5 CBBDRO C[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)S(C)(=O)=O ZINC000578619175 335654446 /nfs/dbraw/zinc/65/44/46/335654446.db2.gz DBBKHRNPKBIRQR-MRVPVSSYSA-N 1 0 276.318 -0.186 20 5 CBBDRO CN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000581883045 336159002 /nfs/dbraw/zinc/15/90/02/336159002.db2.gz FGDRRHVKTCMTML-JTQLQIEISA-N 1 0 296.331 -0.717 20 5 CBBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)O ZINC000386757094 336177862 /nfs/dbraw/zinc/17/78/62/336177862.db2.gz HRTVMCKIUMLTGI-MIMYLULJSA-N 1 0 272.305 -0.099 20 5 CBBDRO COC(=O)NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000308224114 534121097 /nfs/dbraw/zinc/12/10/97/534121097.db2.gz DHGPFEHTIFCALE-VIFPVBQESA-N 1 0 287.276 -0.902 20 5 CBBDRO C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000743272072 582276356 /nfs/dbraw/zinc/27/63/56/582276356.db2.gz MANSSKMJJGVFOF-JQWIXIFHSA-N 1 0 283.332 -0.212 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)C2CC2)c1 ZINC000763060454 582319302 /nfs/dbraw/zinc/31/93/02/582319302.db2.gz UMCGJSLDDLGMCE-VXGBXAGGSA-N 1 0 284.316 -0.097 20 5 CBBDRO NC(=O)[C@@]1(O)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473212 582386126 /nfs/dbraw/zinc/38/61/26/582386126.db2.gz IDTPJSZXMPDCNK-DGCLKSJQSA-N 1 0 295.295 -0.450 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(N2CC[NH2+]CC2)no1 ZINC000823334161 582667076 /nfs/dbraw/zinc/66/70/76/582667076.db2.gz AXBAAUCSMUBQNV-UHFFFAOYSA-N 1 0 293.287 -0.059 20 5 CBBDRO CCO[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C[NH+](C)C ZINC000831712745 582997032 /nfs/dbraw/zinc/99/70/32/582997032.db2.gz FJWTZVFEXBTSQS-IVZWLZJFSA-N 1 0 259.306 -0.266 20 5 CBBDRO CCO[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C[NH+](C)C ZINC000831712746 582997189 /nfs/dbraw/zinc/99/71/89/582997189.db2.gz FJWTZVFEXBTSQS-OPRDCNLKSA-N 1 0 259.306 -0.266 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000839666824 583157224 /nfs/dbraw/zinc/15/72/24/583157224.db2.gz UHYLEGFYOBBUKV-KKOKHZNYSA-N 1 0 283.328 -0.291 20 5 CBBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000839682805 583157737 /nfs/dbraw/zinc/15/77/37/583157737.db2.gz ISIWMHYSQCINBC-JHJVBQTASA-N 1 0 296.371 -0.110 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000839702496 583158211 /nfs/dbraw/zinc/15/82/11/583158211.db2.gz XICYSMDIZUPVRF-QJPTWQEYSA-N 1 0 283.328 -0.168 20 5 CBBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840452967 583165015 /nfs/dbraw/zinc/16/50/15/583165015.db2.gz MBCZRMRJPVWNGZ-GMTAPVOTSA-N 1 0 271.317 -0.385 20 5 CBBDRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840500428 583165330 /nfs/dbraw/zinc/16/53/30/583165330.db2.gz WPEFRENJGYISBS-IVZWLZJFSA-N 1 0 285.300 -0.785 20 5 CBBDRO O=C(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NCCO ZINC000843072081 583199850 /nfs/dbraw/zinc/19/98/50/583199850.db2.gz TWEUVTOFSAUUGL-LLVKDONJSA-N 1 0 283.284 -0.674 20 5 CBBDRO CNC(=O)[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843109838 583202065 /nfs/dbraw/zinc/20/20/65/583202065.db2.gz HFVUUXZECYCNJO-MNOVXSKESA-N 1 0 283.284 -0.675 20 5 CBBDRO CNC(=O)[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843112169 583202845 /nfs/dbraw/zinc/20/28/45/583202845.db2.gz WUDZHCMTUYLVLN-WDEREUQCSA-N 1 0 283.284 -0.675 20 5 CBBDRO CNC(=O)[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843112168 583203079 /nfs/dbraw/zinc/20/30/79/583203079.db2.gz WUDZHCMTUYLVLN-QWRGUYRKSA-N 1 0 283.284 -0.675 20 5 CBBDRO C[NH+](C)CCONC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848159838 583434704 /nfs/dbraw/zinc/43/47/04/583434704.db2.gz KEQLRMFTUNVVAJ-UHFFFAOYSA-N 1 0 269.261 -0.205 20 5 CBBDRO O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1 ZINC000880069252 584260322 /nfs/dbraw/zinc/26/03/22/584260322.db2.gz BCBOEYIUFYKVTR-WCQYABFASA-N 1 0 295.343 -0.068 20 5 CBBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000882486658 584318528 /nfs/dbraw/zinc/31/85/28/584318528.db2.gz UKVMTYQEZNTCCQ-SNVBAGLBSA-N 1 0 294.311 -0.033 20 5 CBBDRO CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888982238 584511180 /nfs/dbraw/zinc/51/11/80/584511180.db2.gz KSHFRPPNOVEHKG-GHMZBOCLSA-N 1 0 270.333 -0.643 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](C)CCN1C ZINC000892467662 584617015 /nfs/dbraw/zinc/61/70/15/584617015.db2.gz KCARCXMSNOFGQK-SECBINFHSA-N 1 0 268.321 -0.014 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000894782787 584664372 /nfs/dbraw/zinc/66/43/72/584664372.db2.gz ZRORAGZNRIWIST-MRVPVSSYSA-N 1 0 255.278 -0.193 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000894833816 584665498 /nfs/dbraw/zinc/66/54/98/584665498.db2.gz ZRORAGZNRIWIST-QMMMGPOBSA-N 1 0 255.278 -0.193 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903869295 584902793 /nfs/dbraw/zinc/90/27/93/584902793.db2.gz GKYCOCVAQPOIDN-STQMWFEESA-N 1 0 295.343 -0.020 20 5 CBBDRO C[C@@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000928447577 659023365 /nfs/dbraw/zinc/02/33/65/659023365.db2.gz KZNJUUDLIITELC-KOLCDFICSA-N 1 0 294.311 -0.035 20 5 CBBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+](CCO)CCO)c1 ZINC000062351212 656033815 /nfs/dbraw/zinc/03/38/15/656033815.db2.gz FQEMGCHNAGYCOB-LBPRGKRZSA-N 1 0 270.285 -0.085 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000236537653 656115666 /nfs/dbraw/zinc/11/56/66/656115666.db2.gz NMUANVMADOYGAB-YUMQZZPRSA-N 1 0 298.221 -0.335 20 5 CBBDRO CN1CC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000712587280 656210226 /nfs/dbraw/zinc/21/02/26/656210226.db2.gz RTRJIVZEZDXTSM-MWLCHTKSSA-N 1 0 269.305 -0.554 20 5 CBBDRO CN(C)C(=O)CC[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905105486 656339048 /nfs/dbraw/zinc/33/90/48/656339048.db2.gz KNXQWWXXEHREFH-UHFFFAOYSA-N 1 0 272.349 -0.205 20 5 CBBDRO O=C(NCC1CC[NH+](CCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001398432 656809884 /nfs/dbraw/zinc/80/98/84/656809884.db2.gz DWMJHYKDNOBXMX-VXGBXAGGSA-N 1 0 285.344 -0.138 20 5 CBBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC001005382247 656899834 /nfs/dbraw/zinc/89/98/34/656899834.db2.gz OUEPLZNEBYQTIA-GHMZBOCLSA-N 1 0 271.317 -0.433 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911788385 657130273 /nfs/dbraw/zinc/13/02/73/657130273.db2.gz QFKYKZBWRYZNCL-VIFPVBQESA-N 1 0 267.289 -0.080 20 5 CBBDRO NC(=O)CC[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916577337 657780236 /nfs/dbraw/zinc/78/02/36/657780236.db2.gz RVHVSNNYMORZNU-JQWIXIFHSA-N 1 0 283.284 -0.546 20 5 CBBDRO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923285411 658194478 /nfs/dbraw/zinc/19/44/78/658194478.db2.gz BJAWIUBBGPUIBC-ONGXEEELSA-N 1 0 269.305 -0.554 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923360129 658230954 /nfs/dbraw/zinc/23/09/54/658230954.db2.gz WIEXXRIYPPFYGV-RTXFEEFZSA-N 1 0 295.343 -0.164 20 5 CBBDRO C[NH2+]CCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923361958 658237192 /nfs/dbraw/zinc/23/71/92/658237192.db2.gz PEOGTOTXMURPIB-SNVBAGLBSA-N 1 0 257.294 -0.697 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000923417074 658271515 /nfs/dbraw/zinc/27/15/15/658271515.db2.gz ULYSHYMGTJWNCN-AGIUHOORSA-N 1 0 295.343 -0.022 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928563818 659044916 /nfs/dbraw/zinc/04/49/16/659044916.db2.gz SKEKOPRGDJKZQU-VIFPVBQESA-N 1 0 267.289 -0.080 20 5 CBBDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000931279878 659425114 /nfs/dbraw/zinc/42/51/14/659425114.db2.gz RLGCEEPHFMHJEP-WUHRBBMRSA-N 1 0 295.343 -0.356 20 5 CBBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931394957 659443267 /nfs/dbraw/zinc/44/32/67/659443267.db2.gz JHLYBEKAZCKSPJ-NTZNESFSSA-N 1 0 295.343 -0.069 20 5 CBBDRO COc1nc(N2CCN3CC[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164393935 718828382 /nfs/dbraw/zinc/82/83/82/718828382.db2.gz XPKUFDAPEOMKHV-VIFPVBQESA-N 1 0 294.315 -0.513 20 5 CBBDRO COc1ncnc(N2CCN3CC[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC001164398914 718833905 /nfs/dbraw/zinc/83/39/05/718833905.db2.gz LZCXAIXOFNMRSD-VIFPVBQESA-N 1 0 294.315 -0.513 20 5 CBBDRO Nc1cc(N2CCN3CC[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164398126 718835434 /nfs/dbraw/zinc/83/54/34/718835434.db2.gz CDSRCPJJENXZDJ-SECBINFHSA-N 1 0 278.316 -0.334 20 5 CBBDRO Nc1nc(N2CCN3CC[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164398574 718835873 /nfs/dbraw/zinc/83/58/73/718835873.db2.gz GXEVDJKXDWKNRM-VIFPVBQESA-N 1 0 278.316 -0.334 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399264 718836551 /nfs/dbraw/zinc/83/65/51/718836551.db2.gz RICFOFSNKMPSSO-NSHDSACASA-N 1 0 293.327 -0.370 20 5 CBBDRO COc1nc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164667108 719368732 /nfs/dbraw/zinc/36/87/32/719368732.db2.gz IBYMRGQTPSWDLP-NXEZZACHSA-N 1 0 295.299 -0.087 20 5 CBBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001164672010 719370819 /nfs/dbraw/zinc/37/08/19/719370819.db2.gz XXMQVJFCOCXTHX-GHMZBOCLSA-N 1 0 280.284 -0.253 20 5 CBBDRO COc1ncnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1[N+](=O)[O-] ZINC001164668471 719394158 /nfs/dbraw/zinc/39/41/58/719394158.db2.gz RTOJSIBSYSFHIA-BDAKNGLRSA-N 1 0 295.299 -0.087 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2COCCO2)c1 ZINC000038061310 790322734 /nfs/dbraw/zinc/32/27/34/790322734.db2.gz FPJPITMCHCIKGL-GHMZBOCLSA-N 1 0 286.288 -0.843 20 5 CBBDRO CC[S@](=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000132754310 790389703 /nfs/dbraw/zinc/38/97/03/790389703.db2.gz MJODRRAHPYPXCL-APBUJDDRSA-N 1 0 290.345 -0.490 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000687591236 790654090 /nfs/dbraw/zinc/65/40/90/790654090.db2.gz VHXYEQALXIIYKC-LLVKDONJSA-N 1 0 283.332 -0.292 20 5 CBBDRO [NH3+]C[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000702049326 790719325 /nfs/dbraw/zinc/71/93/25/790719325.db2.gz KWMSQKOFGMEIFZ-QMMMGPOBSA-N 1 0 253.262 -0.402 20 5 CBBDRO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034643412 799849794 /nfs/dbraw/zinc/84/97/94/799849794.db2.gz OJAPHIBJMAJIEX-ZYUZMQFOSA-N 1 0 284.316 -0.846 20 5 CBBDRO CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055575285 802400048 /nfs/dbraw/zinc/40/00/48/802400048.db2.gz QBRDLPNKPMFSRQ-VXGBXAGGSA-N 1 0 298.343 -0.632 20 5 CBBDRO C[NH2+]CCCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001118135351 812475152 /nfs/dbraw/zinc/47/51/52/812475152.db2.gz MYVYYYCIVAFFBJ-UHFFFAOYSA-N 1 0 254.246 -0.535 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CC[NH+](C)C ZINC001133294336 814237110 /nfs/dbraw/zinc/23/71/10/814237110.db2.gz DBZBQKSROPCECY-UHFFFAOYSA-N 1 0 298.347 -0.514 20 5 CBBDRO NC(=O)C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323419341 804024717 /nfs/dbraw/zinc/02/47/17/804024717.db2.gz PELVHHJSYUFTEA-KOLCDFICSA-N 1 0 297.315 -0.651 20 5 CBBDRO NC(=O)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323419343 804025273 /nfs/dbraw/zinc/02/52/73/804025273.db2.gz PELVHHJSYUFTEA-ONGXEEELSA-N 1 0 297.315 -0.651 20 5 CBBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001154644258 815231496 /nfs/dbraw/zinc/23/14/96/815231496.db2.gz RGXDODRIQJPJSO-SNVBAGLBSA-N 1 0 296.331 -0.014 20 5 CBBDRO O=[N+]([O-])c1cnc(NCCn2ccnn2)nc1C1C[NH2+]C1 ZINC001154626354 815232086 /nfs/dbraw/zinc/23/20/86/815232086.db2.gz FFXNTPOHBPZARW-UHFFFAOYSA-N 1 0 290.287 -0.225 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1cc([N+](=O)[O-])ccn1 ZINC001154764640 815237903 /nfs/dbraw/zinc/23/79/03/815237903.db2.gz CUVAMGYYMFXNDT-UHFFFAOYSA-N 1 0 260.275 -0.286 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1COC[C@@H]1[NH3+] ZINC001155352849 815278061 /nfs/dbraw/zinc/27/80/61/815278061.db2.gz IARHDCCZUOYXAB-JGVFFNPUSA-N 1 0 254.246 -0.325 20 5 CBBDRO COc1ncnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1[N+](=O)[O-] ZINC001155541809 815291289 /nfs/dbraw/zinc/29/12/89/815291289.db2.gz QKRAHRCJVMHNPS-RDDDGLTNSA-N 1 0 281.272 -0.064 20 5 CBBDRO COc1cnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001155569174 815293535 /nfs/dbraw/zinc/29/35/35/815293535.db2.gz DIFXWSDIWRBXTK-JOYOIKCWSA-N 1 0 293.283 -0.012 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cccc([N+](=O)[O-])n2)N1 ZINC001155571529 815295330 /nfs/dbraw/zinc/29/53/30/815295330.db2.gz SRFFHYNOJVKQJB-CPCISQLKSA-N 1 0 263.257 -0.020 20 5 CBBDRO Nc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155574627 815296717 /nfs/dbraw/zinc/29/67/17/815296717.db2.gz IVDUAWHKXRXDBV-CPCISQLKSA-N 1 0 278.272 -0.438 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1 ZINC001155637448 815302149 /nfs/dbraw/zinc/30/21/49/815302149.db2.gz UETCIQJMKFYXPI-YWVKMMECSA-N 1 0 266.257 -0.231 20 5 CBBDRO [NH3+]CCN(CCO)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155949752 815325200 /nfs/dbraw/zinc/32/52/00/815325200.db2.gz VRLLLQZADOHBFE-UHFFFAOYSA-N 1 0 271.233 -0.345 20 5 CBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(CC[NH3+])CCO)n1 ZINC001155954228 815326248 /nfs/dbraw/zinc/32/62/48/815326248.db2.gz ZZGJHXVMFKDYAQ-UHFFFAOYSA-N 1 0 284.272 -0.466 20 5 CBBDRO COc1ncnc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-] ZINC001156236350 815348646 /nfs/dbraw/zinc/34/86/46/815348646.db2.gz GGSNXOUBACEGQX-UHFFFAOYSA-N 1 0 291.289 -0.882 20 5 CBBDRO Cc1ncc([N+](=O)[O-])c(N(C)S(=O)(=O)CC[NH3+])n1 ZINC001156236598 815348767 /nfs/dbraw/zinc/34/87/67/815348767.db2.gz NKTZNRVLVZDEQI-UHFFFAOYSA-N 1 0 275.290 -0.582 20 5 CBBDRO CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001087257060 810291453 /nfs/dbraw/zinc/29/14/53/810291453.db2.gz YBMMAYQYZSZCKY-RKDXNWHRSA-N 1 0 295.299 -0.427 20 5 CBBDRO CN[C@H]1CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156649578 815371003 /nfs/dbraw/zinc/37/10/03/815371003.db2.gz YZPDWEQQJVWKLY-SECBINFHSA-N 1 0 293.331 -0.450 20 5 CBBDRO COc1ncnc(-n2c(C)ncc(C[NH3+])c2=N)c1[N+](=O)[O-] ZINC001156829724 815383185 /nfs/dbraw/zinc/38/31/85/815383185.db2.gz UIJKQYGNPUHCBP-UHFFFAOYSA-N 1 0 291.271 -0.174 20 5 CBBDRO Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C ZINC001157767472 815462892 /nfs/dbraw/zinc/46/28/92/815462892.db2.gz NYASCVFPSTVWOU-VXGBXAGGSA-N 1 0 295.343 -0.010 20 5 CBBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC1 ZINC001157760282 815463006 /nfs/dbraw/zinc/46/30/06/815463006.db2.gz AKHVTWUOQFJJLQ-GHMZBOCLSA-N 1 0 298.343 -0.630 20 5 CBBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2nnnc2C[NH3+])n1 ZINC001158075421 815502014 /nfs/dbraw/zinc/50/20/14/815502014.db2.gz YVLGOTMWXKKQFJ-UHFFFAOYSA-N 1 0 270.640 -0.219 20 5 CBBDRO [NH3+]Cc1nnnn1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001158077481 815502531 /nfs/dbraw/zinc/50/25/31/815502531.db2.gz ROWGPFOSOLEEBN-UHFFFAOYSA-N 1 0 271.624 -0.684 20 5 CBBDRO CCOC(=O)c1ccnc(-n2nnnc2C[NH3+])c1[N+](=O)[O-] ZINC001158080763 815502612 /nfs/dbraw/zinc/50/26/12/815502612.db2.gz YZUJDMMDNPVOSB-UHFFFAOYSA-N 1 0 293.243 -0.399 20 5 CBBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001116148009 812226191 /nfs/dbraw/zinc/22/61/91/812226191.db2.gz WKIGEMIOICBURC-JTQLQIEISA-N 1 0 296.331 -0.014 20 5 CBBDRO C[NH+]1CCN(CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001116420283 812258376 /nfs/dbraw/zinc/25/83/76/812258376.db2.gz RLRFDCKDVWHNJW-UHFFFAOYSA-N 1 0 296.331 -0.315 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001117737925 812441264 /nfs/dbraw/zinc/44/12/64/812441264.db2.gz XUVQGWJHZHOZTB-BDAKNGLRSA-N 1 0 295.299 -0.401 20 5 CBBDRO C[NH2+][C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001118085890 812468879 /nfs/dbraw/zinc/46/88/79/812468879.db2.gz MWXYIZINSQNUMU-SSDOTTSWSA-N 1 0 254.250 -0.993 20 5 CBBDRO COc1nc(-n2nncc2C[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001158423178 815528229 /nfs/dbraw/zinc/52/82/29/815528229.db2.gz NEGPWWYPMSIZBD-UHFFFAOYSA-N 1 0 281.232 -0.559 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC001118139945 812477944 /nfs/dbraw/zinc/47/79/44/812477944.db2.gz DBUAKYRRZQNGHY-CBAPKCEASA-N 1 0 297.315 -0.175 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC001118141221 812478019 /nfs/dbraw/zinc/47/80/19/812478019.db2.gz VBGCFTXDOLEITJ-ZETCQYMHSA-N 1 0 253.262 -0.251 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC001118139946 812478210 /nfs/dbraw/zinc/47/82/10/812478210.db2.gz DBUAKYRRZQNGHY-IONNQARKSA-N 1 0 297.315 -0.175 20 5 CBBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001118569134 812577481 /nfs/dbraw/zinc/57/74/81/812577481.db2.gz BQYKUSQDMRHQMG-ZETCQYMHSA-N 1 0 253.262 -0.272 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001158765509 815546495 /nfs/dbraw/zinc/54/64/95/815546495.db2.gz DDYJERDKFVGDEZ-SNVBAGLBSA-N 1 0 280.284 -0.299 20 5 CBBDRO O=[N+]([O-])CC[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC001120472815 812971242 /nfs/dbraw/zinc/97/12/42/812971242.db2.gz UFURVRYPEYSOFV-UHFFFAOYSA-N 1 0 280.332 -0.535 20 5 CBBDRO NC(=O)NCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123235414 813224867 /nfs/dbraw/zinc/22/48/67/813224867.db2.gz LXCJNEQGJNMNDV-UHFFFAOYSA-N 1 0 295.299 -0.531 20 5 CBBDRO NC(=O)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125080046 813515197 /nfs/dbraw/zinc/51/51/97/813515197.db2.gz MNYUCXCBPYEMTR-UHFFFAOYSA-N 1 0 280.284 -0.324 20 5 CBBDRO Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936423 813696519 /nfs/dbraw/zinc/69/65/19/813696519.db2.gz GZGKBUFUASTDKO-GHMZBOCLSA-N 1 0 281.316 -0.400 20 5 CBBDRO O=C(NCC[NH2+]CCn1cccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936262 813697503 /nfs/dbraw/zinc/69/75/03/813697503.db2.gz DERLPZYHZSINKV-NXEZZACHSA-N 1 0 267.289 -0.746 20 5 CBBDRO Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001126938533 813697513 /nfs/dbraw/zinc/69/75/13/813697513.db2.gz CXJBJXFANQLFBO-GHMZBOCLSA-N 1 0 279.300 -0.344 20 5 CBBDRO O=C(NCC[NH2+]CCOC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936399 813697561 /nfs/dbraw/zinc/69/75/61/813697561.db2.gz FXTBWOAPGYEVFO-GHMZBOCLSA-N 1 0 271.317 -0.074 20 5 CBBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001159671067 815583578 /nfs/dbraw/zinc/58/35/78/815583578.db2.gz HZOFXOPFAMZJDF-SVRRBLITSA-N 1 0 283.244 -0.110 20 5 CBBDRO COc1nc(N[C@H]2C[NH2+]C[C@H]2CO)ccc1[N+](=O)[O-] ZINC001159673814 815585397 /nfs/dbraw/zinc/58/53/97/815585397.db2.gz ZLKUIEQFYKWDQL-YUMQZZPRSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001159675038 815585575 /nfs/dbraw/zinc/58/55/75/815585575.db2.gz BGYWSSAASVXOQC-SFYZADRCSA-N 1 0 283.288 -0.306 20 5 CBBDRO COC(=O)c1ccnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001159678077 815586811 /nfs/dbraw/zinc/58/68/11/815586811.db2.gz NRKXMTWCHXVXMZ-VXNVDRBHSA-N 1 0 296.283 -0.231 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159677341 815587377 /nfs/dbraw/zinc/58/73/77/815587377.db2.gz KJFCSFJYLJTEPR-RQJHMYQMSA-N 1 0 288.691 -0.126 20 5 CBBDRO Nc1cc(N[C@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159679974 815588178 /nfs/dbraw/zinc/58/81/78/815588178.db2.gz WURFWLZLMHTHFD-XPUUQOCRSA-N 1 0 253.262 -0.436 20 5 CBBDRO COc1ccnc(N(CC[NH3+])S(C)(=O)=O)c1[N+](=O)[O-] ZINC001162123833 815802363 /nfs/dbraw/zinc/80/23/63/815802363.db2.gz FHXZPIORXOAFHF-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1nccc(N)c1[N+](=O)[O-] ZINC001162126004 815805198 /nfs/dbraw/zinc/80/51/98/815805198.db2.gz BSLXOLDIGDQJGQ-UHFFFAOYSA-N 1 0 275.290 -0.703 20 5 CBBDRO CS(=O)(=O)N(CC[NH3+])c1cnc([N+](=O)[O-])cn1 ZINC001162129123 815805339 /nfs/dbraw/zinc/80/53/39/815805339.db2.gz SPJZOTMCCNUDIX-UHFFFAOYSA-N 1 0 261.263 -0.891 20 5 CBBDRO O=C1C=C(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCN1 ZINC001162651021 815838692 /nfs/dbraw/zinc/83/86/92/815838692.db2.gz WFUUQMPQSKPGTN-UHFFFAOYSA-N 1 0 290.283 -0.113 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2COC[C@@H]2[NH3+])n1 ZINC001162917339 815849069 /nfs/dbraw/zinc/84/90/69/815849069.db2.gz MKBJAMNBJOAMLI-IONNQARKSA-N 1 0 282.256 -0.086 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163106283 815860221 /nfs/dbraw/zinc/86/02/21/815860221.db2.gz YQLSSJBBBYBJSZ-KBVBSXBZSA-N 1 0 280.284 -0.126 20 5 CBBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])N1 ZINC001163236343 815868005 /nfs/dbraw/zinc/86/80/05/815868005.db2.gz HSYDONBMCHVBDU-RDDDGLTNSA-N 1 0 297.246 -0.643 20 5 CBBDRO Nc1ccnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001163243266 815871273 /nfs/dbraw/zinc/87/12/73/815871273.db2.gz SBJWQPFSIQTYBT-CPCISQLKSA-N 1 0 278.272 -0.438 20 5 CBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncccc2[N+](=O)[O-])N1 ZINC001163243449 815871527 /nfs/dbraw/zinc/87/15/27/815871527.db2.gz SLWXQYJKTCXMNP-GZMMTYOYSA-N 1 0 263.257 -0.020 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163249596 815873172 /nfs/dbraw/zinc/87/31/72/815873172.db2.gz KNIYYKBFJLQVSQ-UFBFGSQYSA-N 1 0 293.283 -0.012 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163249593 815873383 /nfs/dbraw/zinc/87/33/83/815873383.db2.gz KNIYYKBFJLQVSQ-PRHODGIISA-N 1 0 293.283 -0.012 20 5 CBBDRO C[NH2+]C1CN(c2nc(OC)c([N+](=O)[O-])c(OC)n2)C1 ZINC001163702099 815896347 /nfs/dbraw/zinc/89/63/47/815896347.db2.gz XNWSKBYPBRDPNY-UHFFFAOYSA-N 1 0 269.261 -0.190 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C)CC2)n1 ZINC001293987585 816531270 /nfs/dbraw/zinc/53/12/70/816531270.db2.gz LNHLARXTQCEEGU-UHFFFAOYSA-N 1 0 297.315 -0.485 20 5 CBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001304085159 816778730 /nfs/dbraw/zinc/77/87/30/816778730.db2.gz RUUWFGUIVDFOGB-ZETCQYMHSA-N 1 0 281.272 -0.479 20 5 CBBDRO Nc1nc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001307200273 816798199 /nfs/dbraw/zinc/79/81/99/816798199.db2.gz JHGRPXJYZOQFAA-DTWKUNHWSA-N 1 0 294.315 -0.388 20 5 CBBDRO CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320735169 817383011 /nfs/dbraw/zinc/38/30/11/817383011.db2.gz UPLXZCVPOOZAML-NXEZZACHSA-N 1 0 286.332 -0.822 20 5 CBBDRO [NH3+]CCN(CCO)c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001163828226 819854292 /nfs/dbraw/zinc/85/42/92/819854292.db2.gz UKLZOFJJQWDYQS-UHFFFAOYSA-N 1 0 260.225 -0.875 20 5 CBBDRO COc1ccc(N(CC[NH3+])CCO)nc1[N+](=O)[O-] ZINC001163828200 819854795 /nfs/dbraw/zinc/85/47/95/819854795.db2.gz SHJAKEAAHRVBPX-UHFFFAOYSA-N 1 0 256.262 -0.244 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1N(CC[NH3+])CCO ZINC001163832318 819856085 /nfs/dbraw/zinc/85/60/85/819856085.db2.gz MPLUABKOOUGKBL-UHFFFAOYSA-N 1 0 256.262 -0.244 20 5 CBBDRO COc1ccc([N+](=O)[O-])c(N(C)S(=O)(=O)CC[NH3+])n1 ZINC001164287076 819900219 /nfs/dbraw/zinc/90/02/19/819900219.db2.gz AWWKBTYHYWJKPV-UHFFFAOYSA-N 1 0 290.301 -0.277 20 5 CBBDRO CNc1cc([N+](=O)[O-])cnc1N(C)S(=O)(=O)CC[NH3+] ZINC001164292730 819901935 /nfs/dbraw/zinc/90/19/35/819901935.db2.gz ZTZVPDVKULFILG-UHFFFAOYSA-N 1 0 289.317 -0.244 20 5 CBBDRO O=C(NCCC1(C[NH2+]CCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494813 819916006 /nfs/dbraw/zinc/91/60/06/819916006.db2.gz UEFSUJJCFCPAQQ-GHMZBOCLSA-N 1 0 285.344 -0.090 20 5 CBBDRO COc1nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165268860 819944554 /nfs/dbraw/zinc/94/45/54/819944554.db2.gz NOPOHNNRYIRYAG-WPRPVWTQSA-N 1 0 295.299 -0.040 20 5 CBBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001165282897 819946145 /nfs/dbraw/zinc/94/61/45/819946145.db2.gz FWORYKBLQZUKKL-MFKMUULPSA-N 1 0 294.311 -0.445 20 5 CBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1 ZINC001165269392 819946491 /nfs/dbraw/zinc/94/64/91/819946491.db2.gz KKOZCDJURNODFH-QWRGUYRKSA-N 1 0 280.284 -0.205 20 5 CBBDRO O=C1NCCN(c2ncc(Cl)cc2[N+](=O)[O-])C12C[NH2+]C2 ZINC001165297794 819950763 /nfs/dbraw/zinc/95/07/63/819950763.db2.gz LDJHNFFBRYXWSC-UHFFFAOYSA-N 1 0 297.702 -0.079 20 5 CBBDRO COc1nc(N2CCNC(=O)C23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165298506 819953380 /nfs/dbraw/zinc/95/33/80/819953380.db2.gz WWKXBPHCYMNKNW-UHFFFAOYSA-N 1 0 293.283 -0.723 20 5 CBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1cccc([N+](=O)[O-])n1 ZINC001165436196 819961396 /nfs/dbraw/zinc/96/13/96/819961396.db2.gz IMFYHZYDKSSISE-QMMMGPOBSA-N 1 0 266.257 -0.059 20 5 CBBDRO CS(=O)(=O)N(c1ncc([N+](=O)[O-])cc1F)C1C[NH2+]C1 ZINC001166969852 820057464 /nfs/dbraw/zinc/05/74/64/820057464.db2.gz YUSRHGXOJVGCSD-UHFFFAOYSA-N 1 0 290.276 -0.133 20 5 CBBDRO CCOC(=O)c1ccnc(N2C[C@@H](O)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001167089450 820069160 /nfs/dbraw/zinc/06/91/60/820069160.db2.gz JNRNLPFFXYRKED-DTWKUNHWSA-N 1 0 296.283 -0.325 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001167090355 820069623 /nfs/dbraw/zinc/06/96/23/820069623.db2.gz PAYQDGZZRJJLIJ-DTWKUNHWSA-N 1 0 282.256 -0.715 20 5 CBBDRO COc1ccc([N+](=O)[O-])nc1-n1nnc(CC[NH3+])n1 ZINC001167790192 820118024 /nfs/dbraw/zinc/11/80/24/820118024.db2.gz BNFBMCYQLQCTNH-UHFFFAOYSA-N 1 0 265.233 -0.525 20 5 CBBDRO COc1nc(-n2nnc(CC[NH3+])n2)nc(C)c1[N+](=O)[O-] ZINC001167790994 820119387 /nfs/dbraw/zinc/11/93/87/820119387.db2.gz HBTDHXKZURKZHQ-UHFFFAOYSA-N 1 0 280.248 -0.821 20 5 CBBDRO Cn1cc(-n2ccnc2C(N)=[NH2+])cc([N+](=O)[O-])c1=O ZINC001168416588 820160129 /nfs/dbraw/zinc/16/01/29/820160129.db2.gz WSYYCJMYSSAUET-UHFFFAOYSA-N 1 0 262.229 -0.237 20 5 CBBDRO NC(=[NH2+])c1nccn1-c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001168409328 820160876 /nfs/dbraw/zinc/16/08/76/820160876.db2.gz ALYBBLIFOJIFDU-UHFFFAOYSA-N 1 0 275.228 -0.442 20 5 CBBDRO O=[N+]([O-])c1c(NCCn2cnnc2)ncnc1C1C[NH2+]C1 ZINC001168872064 820187336 /nfs/dbraw/zinc/18/73/36/820187336.db2.gz VNACYFVNJANVMB-UHFFFAOYSA-N 1 0 290.287 -0.225 20 5 CBBDRO CC(=O)Nc1ccc(-n2nnnc2C[NH3+])cc1[N+](=O)[O-] ZINC001168924708 820194574 /nfs/dbraw/zinc/19/45/74/820194574.db2.gz PXMONLYJDAEJCX-UHFFFAOYSA-N 1 0 277.244 -0.012 20 5 CBBDRO NC(=O)c1ccnc(-n2cc(CC[NH3+])cn2)c1[N+](=O)[O-] ZINC001168946685 820195153 /nfs/dbraw/zinc/19/51/53/820195153.db2.gz PBMPAKAHKUIDAS-UHFFFAOYSA-N 1 0 276.256 -0.224 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])cn1 ZINC001168949343 820196245 /nfs/dbraw/zinc/19/62/45/820196245.db2.gz ZUIPWTPDOVCDHJ-UHFFFAOYSA-N 1 0 276.256 -0.224 20 5 CBBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001168972589 820197570 /nfs/dbraw/zinc/19/75/70/820197570.db2.gz NLIUTLADEPGGNH-OJEYFTNHSA-N 1 0 274.317 -0.876 20 5 CBBDRO CCOC(=O)CNC(=O)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168971354 820197829 /nfs/dbraw/zinc/19/78/29/820197829.db2.gz JOFLISULCAZKQP-ZJUUUORDSA-N 1 0 287.316 -0.299 20 5 CBBDRO COC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984945 820199038 /nfs/dbraw/zinc/19/90/38/820199038.db2.gz RHELAIGAXILCED-RKDXNWHRSA-N 1 0 273.289 -0.689 20 5 CBBDRO O=C1C[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C(=O)N1 ZINC001168987971 820200100 /nfs/dbraw/zinc/20/01/00/820200100.db2.gz LXYMRVDZMXROHC-HLTSFMKQSA-N 1 0 255.274 -0.316 20 5 CBBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)NCC(N)=O ZINC001168998642 820200589 /nfs/dbraw/zinc/20/05/89/820200589.db2.gz PGTVEZYUTAJFLD-YIZRAAEISA-N 1 0 272.305 -0.989 20 5 CBBDRO CS(=O)(=O)N(C1C[NH2+]C1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033031 820201350 /nfs/dbraw/zinc/20/13/50/820201350.db2.gz BEEXEUTYKGPXFK-RKDXNWHRSA-N 1 0 277.346 -0.335 20 5 CBBDRO NC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040200 820201384 /nfs/dbraw/zinc/20/13/84/820201384.db2.gz YRALAMBUAXGTTR-BBBLOLIVSA-N 1 0 257.290 -0.382 20 5 CBBDRO NC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040199 820201931 /nfs/dbraw/zinc/20/19/31/820201931.db2.gz YRALAMBUAXGTTR-AEJSXWLSSA-N 1 0 257.290 -0.382 20 5 CBBDRO Nc1ccnc(-n2cncc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001169072020 820205688 /nfs/dbraw/zinc/20/56/88/820205688.db2.gz JTINVCRCCOJQOB-SSDOTTSWSA-N 1 0 278.272 -0.380 20 5 CBBDRO NC(=O)c1nc(NC[C@@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001170036268 820274582 /nfs/dbraw/zinc/27/45/82/820274582.db2.gz WXFFCRDBUCNPMK-SSDOTTSWSA-N 1 0 281.272 -0.511 20 5 CBBDRO O=C(CCO)CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001170099624 820279007 /nfs/dbraw/zinc/27/90/07/820279007.db2.gz UVQLHCQOEPFFLX-UHFFFAOYSA-N 1 0 281.272 -0.565 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(NCCN(C)CC[NH3+])n1 ZINC001170497317 820294395 /nfs/dbraw/zinc/29/43/95/820294395.db2.gz GQDZYTRCJWZIRP-UHFFFAOYSA-N 1 0 270.293 -0.304 20 5 CBBDRO CN(CC[NH3+])CCNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170501870 820296325 /nfs/dbraw/zinc/29/63/25/820296325.db2.gz GRRFZMJWQJNDFT-UHFFFAOYSA-N 1 0 269.305 -0.404 20 5 CBBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170567524 820308127 /nfs/dbraw/zinc/30/81/27/820308127.db2.gz DVVGLSVRCQWLSX-CBAPKCEASA-N 1 0 295.299 -0.123 20 5 CBBDRO NC(=O)c1nc(N[C@H]2C[NH2+]C[C@H]2CO)ccc1[N+](=O)[O-] ZINC001170773587 820316051 /nfs/dbraw/zinc/31/60/51/820316051.db2.gz PCZMWECLVBWRCH-BQBZGAKWSA-N 1 0 281.272 -0.919 20 5 CBBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170773418 820316202 /nfs/dbraw/zinc/31/62/02/820316202.db2.gz GQKUBGGIBPHQRZ-NKWVEPMBSA-N 1 0 269.261 -0.614 20 5 CBBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@H]3C[NH2+]C[C@@H]3CO)c12 ZINC001170774182 820318003 /nfs/dbraw/zinc/31/80/03/820318003.db2.gz LTHNKSZDPWKQRD-RQJHMYQMSA-N 1 0 278.272 -0.142 20 5 CBBDRO COc1ccnc(N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170773784 820318543 /nfs/dbraw/zinc/31/85/43/820318543.db2.gz QOYRSUMOHGYZCP-YUMQZZPRSA-N 1 0 268.273 -0.009 20 5 CBBDRO COc1cc(N[C@H]2C[NH2+]C[C@@H]2CO)cnc1[N+](=O)[O-] ZINC001170778782 820321220 /nfs/dbraw/zinc/32/12/20/820321220.db2.gz AUWHIXWQWBCWDS-APPZFPTMSA-N 1 0 268.273 -0.009 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](CO)[C@H]2CO)n1 ZINC001174992821 820419967 /nfs/dbraw/zinc/41/99/67/820419967.db2.gz BBBXJTUVYRMLEK-WDEREUQCSA-N 1 0 284.316 -0.144 20 5 CBBDRO CN1C(=O)[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]2C1=O ZINC001175436116 820426757 /nfs/dbraw/zinc/42/67/57/820426757.db2.gz GFBVJAOSFZFJIR-AOOOYVTPSA-N 1 0 293.283 -0.662 20 5 CBBDRO CN(CC[N@H+](C)CCO)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001187035152 821210348 /nfs/dbraw/zinc/21/03/48/821210348.db2.gz SDAUEXDFKUGNGU-UHFFFAOYSA-N 1 0 297.315 -0.551 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC001195559474 824123065 /nfs/dbraw/zinc/12/30/65/824123065.db2.gz UDADJNPAMFYQER-NSHDSACASA-N 1 0 283.288 -0.666 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(C(N)=O)CCOC1 ZINC001195559472 824123565 /nfs/dbraw/zinc/12/35/65/824123565.db2.gz UDADJNPAMFYQER-LLVKDONJSA-N 1 0 283.288 -0.666 20 5 CBBDRO CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205223821 824376389 /nfs/dbraw/zinc/37/63/89/824376389.db2.gz JMLGKMHIKAMIAG-GHMZBOCLSA-N 1 0 298.343 -0.774 20 5 CBBDRO COC(=O)CCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001206208224 824395400 /nfs/dbraw/zinc/39/54/00/824395400.db2.gz UKOUVZPOQFLUMA-SNVBAGLBSA-N 1 0 262.326 -0.060 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc[nH]c1=O ZINC001227049089 825295211 /nfs/dbraw/zinc/29/52/11/825295211.db2.gz QHOLELCNVZIBGS-MRVPVSSYSA-O 1 0 256.282 -0.455 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(C(N)=O)n1 ZINC001227835781 825309603 /nfs/dbraw/zinc/30/96/03/825309603.db2.gz XQYWLNCIERKYRZ-SECBINFHSA-O 1 0 282.320 -0.457 20 5 CBBDRO CCn1nnnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228283082 825315416 /nfs/dbraw/zinc/31/54/16/825315416.db2.gz AVJNGJGGDNCQDN-MRVPVSSYSA-N 1 0 258.302 -0.944 20 5 CBBDRO CN(C)c1cnnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001229219034 825328423 /nfs/dbraw/zinc/32/84/23/825328423.db2.gz AFVXHIXTHZSPEC-LLVKDONJSA-N 1 0 283.352 -0.095 20 5 CBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c[nH]ccc1=O ZINC001229509894 825332859 /nfs/dbraw/zinc/33/28/59/825332859.db2.gz PQTVIJOQZWLUIO-SECBINFHSA-O 1 0 255.294 -0.263 20 5 CBBDRO CCn1c(C)nnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234098843 825450194 /nfs/dbraw/zinc/45/01/94/825450194.db2.gz WFFDPERJLROTGW-SNVBAGLBSA-N 1 0 271.341 -0.031 20 5 CBBDRO C[NH+]1CCC(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001251459999 825782345 /nfs/dbraw/zinc/78/23/45/825782345.db2.gz UQOMWLUJNFRXQL-UHFFFAOYSA-N 1 0 282.304 -0.356 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([NH3+])(CO)CC1 ZINC001252590220 825877360 /nfs/dbraw/zinc/87/73/60/825877360.db2.gz QGDAGEMSPONNMK-UHFFFAOYSA-N 1 0 255.278 -0.382 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)C[NH+](C)C)n1 ZINC001254104852 825941877 /nfs/dbraw/zinc/94/18/77/825941877.db2.gz OFKDCLVIPAELDA-LLVKDONJSA-N 1 0 285.304 -0.629 20 5 CBBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001254550045 825965003 /nfs/dbraw/zinc/96/50/03/825965003.db2.gz ZQDDBZOEFPKVCI-SCZZXKLOSA-N 1 0 294.311 -0.155 20 5 CBBDRO C[NH2+]C[C@@H](C)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001261492241 826524245 /nfs/dbraw/zinc/52/42/45/826524245.db2.gz WDSOPMOULARPHK-SSDOTTSWSA-N 1 0 256.266 -0.842 20 5 CBBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001261492165 826524409 /nfs/dbraw/zinc/52/44/09/826524409.db2.gz SQKJFHHVHARPKG-IUCAKERBSA-N 1 0 282.304 -0.228 20 5 CBBDRO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001261773134 826578086 /nfs/dbraw/zinc/57/80/86/826578086.db2.gz UALLZNZJFXKREK-ZYHUDNBSSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[C@H]([NH3+])CONC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001263140725 826743030 /nfs/dbraw/zinc/74/30/30/826743030.db2.gz DGOMMJKCBIRVNM-ZETCQYMHSA-N 1 0 257.250 -0.424 20 5 CBBDRO O=C(NCC[N@@H+](CCO)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266591962 827028237 /nfs/dbraw/zinc/02/82/37/827028237.db2.gz DMCPFNDCRFZPFC-NXEZZACHSA-N 1 0 257.290 -0.776 20 5 CBBDRO CN(CC[NH2+]CC(=O)NCC1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696863 827053562 /nfs/dbraw/zinc/05/35/62/827053562.db2.gz UWUXNLADMJNNDY-GHMZBOCLSA-N 1 0 298.343 -0.774 20 5 CBBDRO NC(=O)C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001268583452 827370656 /nfs/dbraw/zinc/37/06/56/827370656.db2.gz AOTKHHUTGAMRIH-OWOJBTEDSA-N 1 0 292.295 -0.158 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC(C[NH+](C)C)C2)n1 ZINC001328722916 885791251 /nfs/dbraw/zinc/79/12/51/885791251.db2.gz VHIIHABZBFLLPZ-UHFFFAOYSA-N 1 0 267.289 -0.038 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C[C@@H]2CO)c1 ZINC001175678146 884695036 /nfs/dbraw/zinc/69/50/36/884695036.db2.gz MLDUXHNVKMTHGO-MWLCHTKSSA-N 1 0 268.273 -0.615 20 5 CBBDRO NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458336 884707228 /nfs/dbraw/zinc/70/72/28/884707228.db2.gz BGDWOGDJCAIKQO-NXEZZACHSA-N 1 0 286.332 -0.597 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC001325894989 884840213 /nfs/dbraw/zinc/84/02/13/884840213.db2.gz CVRUOWBFOVAVIR-SSDOTTSWSA-N 1 0 294.271 -0.091 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001326260815 884959870 /nfs/dbraw/zinc/95/98/70/884959870.db2.gz QYUDHKMAJGEDFL-ZETCQYMHSA-N 1 0 253.262 -0.205 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCC[NH2+]CC1 ZINC001326612126 885088410 /nfs/dbraw/zinc/08/84/10/885088410.db2.gz PDELTMBQFFWZEM-QMMMGPOBSA-N 1 0 268.277 -0.555 20 5 CBBDRO O=[N+]([O-])c1cnn(CCN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC001326692153 885112783 /nfs/dbraw/zinc/11/27/83/885112783.db2.gz DWLZYTKUKGZRGB-LBPRGKRZSA-N 1 0 294.359 -0.229 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1=CC[NH2+]CC1 ZINC001326845394 885170675 /nfs/dbraw/zinc/17/06/75/885170675.db2.gz KHGHWXKUEVNMRH-UHFFFAOYSA-N 1 0 265.273 -0.022 20 5 CBBDRO Cc1nn(C)c(C(=O)NC[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC001328236794 885610418 /nfs/dbraw/zinc/61/04/18/885610418.db2.gz SWEVQEZGAQOEGR-ZCFIWIBFSA-N 1 0 255.278 -0.039 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@@H+]2CC[C@H]1C2 ZINC001328329447 885639121 /nfs/dbraw/zinc/63/91/21/885639121.db2.gz WNYMLDQXWPLCEV-QMMMGPOBSA-N 1 0 266.261 -0.897 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001329111509 885932751 /nfs/dbraw/zinc/93/27/51/885932751.db2.gz RORDOGYCJGSCEH-MRVPVSSYSA-N 1 0 283.288 -0.875 20 5 CBBDRO CNC(=O)[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001329426494 886064217 /nfs/dbraw/zinc/06/42/17/886064217.db2.gz FCVKEUXMLHPVTD-MNOVXSKESA-N 1 0 283.284 -0.675 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001329925437 886283995 /nfs/dbraw/zinc/28/39/95/886283995.db2.gz QGVCGHOWLOEPRP-DTWKUNHWSA-N 1 0 295.299 -0.781 20 5 CBBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[NH2+]C1 ZINC001331477349 886817060 /nfs/dbraw/zinc/81/70/60/886817060.db2.gz WNFCKNVEPKDQMS-UHFFFAOYSA-N 1 0 292.295 -0.659 20 5 CBBDRO C[C@H](Cn1cncn1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001331962921 887066274 /nfs/dbraw/zinc/06/62/74/887066274.db2.gz QPSZIYVBYNVXHT-MWLCHTKSSA-N 1 0 295.303 -0.578 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CC[NH2+]CC1 ZINC001332402967 887261042 /nfs/dbraw/zinc/26/10/42/887261042.db2.gz ZFRWRFBSUZEOJO-UHFFFAOYSA-N 1 0 280.284 -0.375 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC001334770334 888320878 /nfs/dbraw/zinc/32/08/78/888320878.db2.gz HDMWISMRPQNTSG-IVZWLZJFSA-N 1 0 256.262 -0.735 20 5 CBBDRO CNC(=O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336702780 888847937 /nfs/dbraw/zinc/84/79/37/888847937.db2.gz FBENNSGBPPSCPW-SNVBAGLBSA-N 1 0 283.284 -0.330 20 5 CBBDRO C[C@@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC(=O)N1 ZINC001345619365 890146373 /nfs/dbraw/zinc/14/63/73/890146373.db2.gz RESADNWSJQIVBO-PWSUYJOCSA-N 1 0 297.315 -0.590 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC2(CC[NH2+]C2)CC1 ZINC001346045492 890200673 /nfs/dbraw/zinc/20/06/73/890200673.db2.gz BIPULZAQKVYYOX-UHFFFAOYSA-N 1 0 294.315 -0.212 20 5 CBBDRO [NH3+]CC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)F ZINC001346055732 890203297 /nfs/dbraw/zinc/20/32/97/890203297.db2.gz DEFSMFDMTWLHMB-YFKPBYRVSA-N 1 0 278.219 -0.715 20 5 CBBDRO Cc1c(C[NH3+])c(NC(=O)Cn2ccc([N+](=O)[O-])n2)nn1C ZINC001350412821 890983423 /nfs/dbraw/zinc/98/34/23/890983423.db2.gz YLZGCWQVSSGXTE-UHFFFAOYSA-N 1 0 293.287 -0.069 20 5 CBBDRO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001356368556 891751873 /nfs/dbraw/zinc/75/18/73/891751873.db2.gz DIKPVOBLXPBIDJ-VROVMSAKSA-N 1 0 265.273 -0.533 20 5 CBBDRO C[NH+](C)CCC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001357808283 891937465 /nfs/dbraw/zinc/93/74/65/891937465.db2.gz JVKOHCYZLIATMR-YIZUVKHSSA-N 1 0 298.343 -0.608 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001473538951 915833691 /nfs/dbraw/zinc/83/36/91/915833691.db2.gz ZVCKJVAZXZSONQ-ONGXEEELSA-N 1 0 283.284 -0.959 20 5 CBBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001473744992 915853311 /nfs/dbraw/zinc/85/33/11/915853311.db2.gz GUZLEQVTWZYVGV-USWWRNFRSA-N 1 0 284.316 -0.003 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](CO)[C@H](CCO)C2)n1 ZINC001473894437 915881725 /nfs/dbraw/zinc/88/17/25/915881725.db2.gz XVNRYOPLHSHSJB-GHMZBOCLSA-N 1 0 284.316 -0.286 20 5 CBBDRO Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001483008422 917374996 /nfs/dbraw/zinc/37/49/96/917374996.db2.gz VUJPPUMCNKTCHS-JDEDCZITSA-N 1 0 293.327 -0.153 20 5 CBBDRO CCOCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001494553165 919730007 /nfs/dbraw/zinc/73/00/07/919730007.db2.gz OFVUVMCYKULPEE-GHMZBOCLSA-N 1 0 271.317 -0.264 20 5 CBBDRO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001544139076 923301169 /nfs/dbraw/zinc/30/11/69/923301169.db2.gz JHNYCYIFKPTNEV-WCBMZHEXSA-N 1 0 296.331 -0.318 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558548912 924181053 /nfs/dbraw/zinc/18/10/53/924181053.db2.gz JTVQXRQNOXMHPR-ZETCQYMHSA-N 1 0 281.272 -0.479 20 5 CBBDRO C[NH+](C)C[C@]1(O)CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001559261213 924216840 /nfs/dbraw/zinc/21/68/40/924216840.db2.gz QAWRNNMIDYFBJG-LLVKDONJSA-N 1 0 282.304 -0.530 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001559261214 924217901 /nfs/dbraw/zinc/21/79/01/924217901.db2.gz QAWRNNMIDYFBJG-NSHDSACASA-N 1 0 282.304 -0.530 20 5 CBBDRO C[N@H+](CCOCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337487390 214115530 /nfs/dbraw/zinc/11/55/30/214115530.db2.gz JHHCGEQRHZFULV-NSHDSACASA-N 1 0 288.304 -0.907 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(CO)CO ZINC000269255567 529939655 /nfs/dbraw/zinc/93/96/55/529939655.db2.gz CZRIAVZXZNUQPQ-UHFFFAOYSA-N 1 0 272.305 -0.286 20 5 CBBDRO CCc1n[nH]c(C(=O)NCC[N@H+](CC)CCO)c1[N+](=O)[O-] ZINC000274505972 352539166 /nfs/dbraw/zinc/53/91/66/352539166.db2.gz GDPSHPDEZYZLJY-UHFFFAOYSA-N 1 0 299.331 -0.076 20 5 CBBDRO O=C(NCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000036278199 351390292 /nfs/dbraw/zinc/39/02/92/351390292.db2.gz NZYNMVUFKFXWHL-UHFFFAOYSA-N 1 0 267.289 -0.442 20 5 CBBDRO Cc1c(NC(=O)CNC(=O)C[NH3+])cccc1[N+](=O)[O-] ZINC000037629041 351400960 /nfs/dbraw/zinc/40/09/60/351400960.db2.gz SUORBHJUSDYVMZ-UHFFFAOYSA-N 1 0 266.257 -0.083 20 5 CBBDRO Cc1ccc(NC(=O)CNC(=O)C[NH3+])cc1[N+](=O)[O-] ZINC000037623289 351401362 /nfs/dbraw/zinc/40/13/62/351401362.db2.gz SEWGLEVZBLPGCE-UHFFFAOYSA-N 1 0 266.257 -0.083 20 5 CBBDRO [NH3+]CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000020001376 351353191 /nfs/dbraw/zinc/35/31/91/351353191.db2.gz GOEJDMNHBVKVLX-UHFFFAOYSA-N 1 0 259.287 -0.027 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000037882051 351409654 /nfs/dbraw/zinc/40/96/54/351409654.db2.gz BYTAMAXDRVHIEN-QWRGUYRKSA-N 1 0 270.289 -0.079 20 5 CBBDRO O=C(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]CC1 ZINC000040507977 351416788 /nfs/dbraw/zinc/41/67/88/351416788.db2.gz JKFOIGPUSWFUAZ-UHFFFAOYSA-N 1 0 281.272 -0.916 20 5 CBBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](O)C[NH2+]1 ZINC000050015952 351497585 /nfs/dbraw/zinc/49/75/85/351497585.db2.gz IJQDMLSHAVVODG-VHSXEESVSA-N 1 0 265.269 -0.066 20 5 CBBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](O)C[NH2+]1 ZINC000050015954 351497657 /nfs/dbraw/zinc/49/76/57/351497657.db2.gz IJQDMLSHAVVODG-NXEZZACHSA-N 1 0 265.269 -0.066 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)C2CC2)c1 ZINC000071304731 351643047 /nfs/dbraw/zinc/64/30/47/351643047.db2.gz LULOMGOMDYMRDL-QWRGUYRKSA-N 1 0 270.289 -0.487 20 5 CBBDRO CC(C)[N@@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611833 351668660 /nfs/dbraw/zinc/66/86/60/351668660.db2.gz XDNRFQSHILCMKE-SNVBAGLBSA-N 1 0 285.304 -0.652 20 5 CBBDRO C[C@H](CO)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000086631477 351720785 /nfs/dbraw/zinc/72/07/85/351720785.db2.gz SVJSQCXZWBDCHG-WCBMZHEXSA-N 1 0 258.278 -0.630 20 5 CBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1C[NH2+]C1 ZINC000090289250 351740251 /nfs/dbraw/zinc/74/02/51/351740251.db2.gz SYXWFELRZBGEIZ-UHFFFAOYSA-N 1 0 287.297 -0.147 20 5 CBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+](CCO)CCO ZINC000090525923 351741478 /nfs/dbraw/zinc/74/14/78/351741478.db2.gz DYUFEDDGVXPIAD-UHFFFAOYSA-N 1 0 271.273 -0.957 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCOC2)c1 ZINC000131563091 351887626 /nfs/dbraw/zinc/88/76/26/351887626.db2.gz KGSWCONSTOOJOI-PSASIEDQSA-N 1 0 256.262 -0.469 20 5 CBBDRO CC[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174646079 352049966 /nfs/dbraw/zinc/04/99/66/352049966.db2.gz SGSIOASESQLBHR-LBPRGKRZSA-N 1 0 283.332 -0.210 20 5 CBBDRO CC1(O)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000177333277 352072901 /nfs/dbraw/zinc/07/29/01/352072901.db2.gz RNDHWNXGSZMSRR-LLVKDONJSA-N 1 0 284.316 -0.001 20 5 CBBDRO C[N@@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171768758 352017159 /nfs/dbraw/zinc/01/71/59/352017159.db2.gz NDEYDMZAXDBXPW-SECBINFHSA-N 1 0 267.289 -0.141 20 5 CBBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186707019 352130283 /nfs/dbraw/zinc/13/02/83/352130283.db2.gz ZFSLFOSAOWNECT-WPRPVWTQSA-N 1 0 267.289 -0.095 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184211710 352112135 /nfs/dbraw/zinc/11/21/35/352112135.db2.gz PZAIQSRNKKRMJB-UHFFFAOYSA-N 1 0 297.315 -0.120 20 5 CBBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000185130939 352115482 /nfs/dbraw/zinc/11/54/82/352115482.db2.gz GDIMCROPUZEUFC-JMJZKYOTSA-N 1 0 279.300 -0.013 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](O)C[C@@H]2CO)n1 ZINC000185175823 352116618 /nfs/dbraw/zinc/11/66/18/352116618.db2.gz LJWMXKDUIBZBJP-RKDXNWHRSA-N 1 0 256.262 -0.781 20 5 CBBDRO CN1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000191135599 352187504 /nfs/dbraw/zinc/18/75/04/352187504.db2.gz OQJLGTCVVZHCMG-NSHDSACASA-N 1 0 297.315 -0.684 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195255652 352223912 /nfs/dbraw/zinc/22/39/12/352223912.db2.gz FLGHEGKOBREZBH-AOOOYVTPSA-N 1 0 279.300 -0.141 20 5 CBBDRO C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228113303 352261430 /nfs/dbraw/zinc/26/14/30/352261430.db2.gz PCQWISNNIRXJSQ-ATZCPNFKSA-N 1 0 272.305 -0.099 20 5 CBBDRO CC(C)NC(=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000228361404 352261896 /nfs/dbraw/zinc/26/18/96/352261896.db2.gz ZFHYEKRBPSIYEQ-LLVKDONJSA-N 1 0 299.331 -0.344 20 5 CBBDRO Cn1c(C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000228748249 352265227 /nfs/dbraw/zinc/26/52/27/352265227.db2.gz IMBYTORLGRARQF-LBPRGKRZSA-N 1 0 284.316 -0.024 20 5 CBBDRO CC(C)(C(=O)N1CC[NH2+]CC1)n1cc([N+](=O)[O-])cn1 ZINC000236691841 352292264 /nfs/dbraw/zinc/29/22/64/352292264.db2.gz GGZQRMDKJXTTQI-UHFFFAOYSA-N 1 0 267.289 -0.042 20 5 CBBDRO C[NH2+]CCN(C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000237296242 352303204 /nfs/dbraw/zinc/30/32/04/352303204.db2.gz KZDYXPFHHJKQEX-UHFFFAOYSA-N 1 0 255.278 -0.222 20 5 CBBDRO C[C@H](C[NH3+])CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000237528639 352307201 /nfs/dbraw/zinc/30/72/01/352307201.db2.gz BAJWLSRVNOSSKQ-MRVPVSSYSA-N 1 0 255.278 -0.108 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)[NH3+] ZINC000237575998 352307462 /nfs/dbraw/zinc/30/74/62/352307462.db2.gz LYJMRINZDCZTAV-UHFFFAOYSA-N 1 0 255.278 -0.047 20 5 CBBDRO [NH3+]C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000237881721 352311153 /nfs/dbraw/zinc/31/11/53/352311153.db2.gz BHARJEUIYYKVJH-JTQLQIEISA-N 1 0 280.284 -0.390 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCC[NH2+]C1 ZINC000238142957 352314618 /nfs/dbraw/zinc/31/46/18/352314618.db2.gz BKTSQAKWFGFIQC-SECBINFHSA-N 1 0 280.284 -0.375 20 5 CBBDRO C[C@H](O)[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248602164 352353623 /nfs/dbraw/zinc/35/36/23/352353623.db2.gz URSZEJVXCWYOGT-JBLDHEPKSA-N 1 0 284.316 -0.145 20 5 CBBDRO Cn1c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000252407506 352376123 /nfs/dbraw/zinc/37/61/23/352376123.db2.gz HNVKAYLCYVBCQX-MTBHXBHISA-N 1 0 250.258 -0.119 20 5 CBBDRO C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C[NH3+])C1 ZINC000261700025 352394125 /nfs/dbraw/zinc/39/41/25/352394125.db2.gz FKYGWUMCRBDXCE-BDAKNGLRSA-N 1 0 282.304 -0.228 20 5 CBBDRO C[NH2+][C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000261689397 352394164 /nfs/dbraw/zinc/39/41/64/352394164.db2.gz IFJCSOHYHHCKTK-QMMMGPOBSA-N 1 0 268.277 -0.603 20 5 CBBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1CO ZINC000248910798 352357297 /nfs/dbraw/zinc/35/72/97/352357297.db2.gz IXPSBSOCJWHIOH-JLLWLGSASA-N 1 0 284.316 -0.145 20 5 CBBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262110495 352407506 /nfs/dbraw/zinc/40/75/06/352407506.db2.gz ZZWFODCPXIXAMR-ZJUUUORDSA-N 1 0 294.311 -0.048 20 5 CBBDRO COc1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1[N+](=O)[O-] ZINC000269256158 352465316 /nfs/dbraw/zinc/46/53/16/352465316.db2.gz PBHCMYDEPHYRQS-VHSXEESVSA-N 1 0 295.295 -0.058 20 5 CBBDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000270696196 352498306 /nfs/dbraw/zinc/49/83/06/352498306.db2.gz ANMFBAJMXRVNNK-UHFFFAOYSA-N 1 0 265.273 -0.161 20 5 CBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274985108 352550150 /nfs/dbraw/zinc/55/01/50/352550150.db2.gz QKVXFJZCKSVQRD-LBPRGKRZSA-N 1 0 298.299 -0.262 20 5 CBBDRO C[C@@]1(C(N)=O)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280676929 352595876 /nfs/dbraw/zinc/59/58/76/352595876.db2.gz GIMXGGPDVFKEOQ-CYBMUJFWSA-N 1 0 294.311 -0.046 20 5 CBBDRO C[C@]1(C(N)=O)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280676933 352595982 /nfs/dbraw/zinc/59/59/82/352595982.db2.gz GIMXGGPDVFKEOQ-ZDUSSCGKSA-N 1 0 294.311 -0.046 20 5 CBBDRO C[N@H+](CCOCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000282492569 352606861 /nfs/dbraw/zinc/60/68/61/352606861.db2.gz NBRSLDQOOAZUJC-UHFFFAOYSA-N 1 0 258.278 -0.268 20 5 CBBDRO C[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286281755 352641236 /nfs/dbraw/zinc/64/12/36/352641236.db2.gz VZLADYJGNPFRBK-UHFFFAOYSA-N 1 0 283.288 -0.496 20 5 CBBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000295492127 352706251 /nfs/dbraw/zinc/70/62/51/352706251.db2.gz OQJLZTJYLVXWJY-SECBINFHSA-N 1 0 297.315 -0.106 20 5 CBBDRO CN1CCO[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290702908 352678659 /nfs/dbraw/zinc/67/86/59/352678659.db2.gz WHTPWJMSXYWTNU-MRVPVSSYSA-N 1 0 295.299 -0.169 20 5 CBBDRO C[N@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000299497809 352723768 /nfs/dbraw/zinc/72/37/68/352723768.db2.gz JYRMMUJUHQJGJY-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO C[NH+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299535513 352725218 /nfs/dbraw/zinc/72/52/18/352725218.db2.gz UATLHQZSRYHBDF-UHFFFAOYSA-N 1 0 268.273 -0.566 20 5 CBBDRO C[C@H](O)C[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331193393 352890623 /nfs/dbraw/zinc/89/06/23/352890623.db2.gz WXTKMRKFQBTXFL-JTQLQIEISA-N 1 0 283.332 -0.173 20 5 CBBDRO C[C@@H]1C[N@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256446 352897157 /nfs/dbraw/zinc/89/71/57/352897157.db2.gz WKMZPVSXSYSIOG-ZYHUDNBSSA-N 1 0 283.332 -0.212 20 5 CBBDRO Cc1n[nH]c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000337447408 353083604 /nfs/dbraw/zinc/08/36/04/353083604.db2.gz JBCGOUQWAGSEMD-NSHDSACASA-N 1 0 285.304 -0.331 20 5 CBBDRO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C[NH+](C)C ZINC000341230146 353206239 /nfs/dbraw/zinc/20/62/39/353206239.db2.gz PSNMOJNKLCXLFH-MRVPVSSYSA-N 1 0 270.293 -0.500 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000155081893 188181339 /nfs/dbraw/zinc/18/13/39/188181339.db2.gz DOMTVSKALZADEV-MRVPVSSYSA-N 1 0 267.289 -0.080 20 5 CBBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000345804525 353349319 /nfs/dbraw/zinc/34/93/19/353349319.db2.gz AVHWWTMBGWGHKT-UHFFFAOYSA-N 1 0 270.289 -0.033 20 5 CBBDRO CN(C)C(=O)NCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000348917685 353441107 /nfs/dbraw/zinc/44/11/07/353441107.db2.gz JHTIHBAOAOKHJP-UHFFFAOYSA-N 1 0 284.320 -0.006 20 5 CBBDRO C[NH+](C)CC(C)(C)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000349730350 353462191 /nfs/dbraw/zinc/46/21/91/353462191.db2.gz QBQRDPIHVDDGIC-UHFFFAOYSA-N 1 0 284.320 -0.110 20 5 CBBDRO Cc1nn(C)c(C(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000353084080 353520079 /nfs/dbraw/zinc/52/00/79/353520079.db2.gz DYZXSEYUJWFIDD-UHFFFAOYSA-N 1 0 253.262 -0.318 20 5 CBBDRO CCn1cc(S(=O)(=O)NCC[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000353217285 353527986 /nfs/dbraw/zinc/52/79/86/353527986.db2.gz LSOMSFULBUVWNR-ZETCQYMHSA-N 1 0 291.333 -0.173 20 5 CBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1O ZINC000352661010 353499819 /nfs/dbraw/zinc/49/98/19/353499819.db2.gz QEMYBLCNIUGYTB-SRVKXCTJSA-N 1 0 284.316 -0.003 20 5 CBBDRO [NH3+]C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000358512672 353648894 /nfs/dbraw/zinc/64/88/94/353648894.db2.gz HVBZCOAHDNPUTN-JTQLQIEISA-N 1 0 283.288 -0.633 20 5 CBBDRO CN(CC[NH+](C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357916517 353614535 /nfs/dbraw/zinc/61/45/35/353614535.db2.gz TYTVSBLJYIUOBA-UHFFFAOYSA-N 1 0 255.278 -0.038 20 5 CBBDRO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CCO1 ZINC000371649933 353704761 /nfs/dbraw/zinc/70/47/61/353704761.db2.gz KTKPDLHESFBBHU-BBBLOLIVSA-N 1 0 257.290 -0.559 20 5 CBBDRO CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000374642193 353747706 /nfs/dbraw/zinc/74/77/06/353747706.db2.gz BQHMJFCJEZIUDV-ZJUUUORDSA-N 1 0 299.327 -0.205 20 5 CBBDRO C[N@H+]1C[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@H]2C1 ZINC000408375972 353906637 /nfs/dbraw/zinc/90/66/37/353906637.db2.gz VNJXPGNVFSXYOU-DTORHVGOSA-N 1 0 280.288 -0.794 20 5 CBBDRO Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC000495112990 354498117 /nfs/dbraw/zinc/49/81/17/354498117.db2.gz VOTIJAKPEGGBNS-ZMONIFLSSA-N 1 0 251.246 -0.426 20 5 CBBDRO CC(C)(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)n1cc([N+](=O)[O-])cn1 ZINC000495177378 354499631 /nfs/dbraw/zinc/49/96/31/354499631.db2.gz ZTICZKKPEWMBRF-MYJAWHEDSA-N 1 0 279.300 -0.140 20 5 CBBDRO COC(=O)N1CC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000496420231 354544975 /nfs/dbraw/zinc/54/49/75/354544975.db2.gz SJQJERDGWLIVGI-JTQLQIEISA-N 1 0 299.287 -0.808 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000547294431 354657477 /nfs/dbraw/zinc/65/74/77/354657477.db2.gz ORPZCAQVPXIFJZ-GFCCVEGCSA-N 1 0 282.300 -0.270 20 5 CBBDRO Cc1n[nH]c(C(=O)NCCOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000540848703 354621173 /nfs/dbraw/zinc/62/11/73/354621173.db2.gz WNASBQSSSFZTGP-UHFFFAOYSA-N 1 0 285.304 -0.066 20 5 CBBDRO CCOC[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000563952468 354708019 /nfs/dbraw/zinc/70/80/19/354708019.db2.gz IOJQXEWZPHDFHP-JTQLQIEISA-N 1 0 258.278 -0.222 20 5 CBBDRO [NH3+][C@H]1C[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000571702584 354877916 /nfs/dbraw/zinc/87/79/16/354877916.db2.gz NMXGHLKRVDNQGH-KOLCDFICSA-N 1 0 294.315 -0.965 20 5 CBBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CC([NH3+])C1 ZINC000569843443 354848138 /nfs/dbraw/zinc/84/81/38/354848138.db2.gz AGUXQNKKRREYTD-UHFFFAOYSA-N 1 0 253.262 -0.110 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573111081 354904620 /nfs/dbraw/zinc/90/46/20/354904620.db2.gz SJWZTGNNIXFKOO-GFCCVEGCSA-N 1 0 294.315 -0.212 20 5 CBBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCC[NH+](C)C ZINC000573837162 354923284 /nfs/dbraw/zinc/92/32/84/354923284.db2.gz OIXHPBNEXKNISP-QMMMGPOBSA-N 1 0 297.315 -0.281 20 5 CBBDRO CCn1cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000580191610 354989863 /nfs/dbraw/zinc/98/98/63/354989863.db2.gz QCRCCEUNBDZOIE-BQBZGAKWSA-N 1 0 291.333 -0.175 20 5 CBBDRO CC(=O)NCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000583498102 355018114 /nfs/dbraw/zinc/01/81/14/355018114.db2.gz YIOSGBSMEUGQGS-UHFFFAOYSA-N 1 0 255.278 -0.141 20 5 CBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000590005375 355072952 /nfs/dbraw/zinc/07/29/52/355072952.db2.gz FBVGFXSJTPTYNV-MYJAWHEDSA-N 1 0 252.274 -0.039 20 5 CBBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000590369292 355076425 /nfs/dbraw/zinc/07/64/25/355076425.db2.gz ATOYCYBUEWJMDP-VIFPVBQESA-N 1 0 282.300 -0.049 20 5 CBBDRO CCCc1n[nH]c(C(=O)N[C@@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000588863769 355061937 /nfs/dbraw/zinc/06/19/37/355061937.db2.gz KHQRDTXQQWZOFE-MRVPVSSYSA-N 1 0 299.331 -0.077 20 5 CBBDRO CC1(C)C[NH2+][C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000591686788 355107620 /nfs/dbraw/zinc/10/76/20/355107620.db2.gz ZNXODDFVPQFCSS-VIFPVBQESA-N 1 0 267.289 -0.095 20 5 CBBDRO CC1(C)C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000591678506 355107704 /nfs/dbraw/zinc/10/77/04/355107704.db2.gz VUBJSVYVZHFEGN-UHFFFAOYSA-N 1 0 294.311 -0.033 20 5 CBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000592308401 355147360 /nfs/dbraw/zinc/14/73/60/355147360.db2.gz LIUIEOGZDDNTNE-XPUUQOCRSA-N 1 0 269.261 -0.494 20 5 CBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCO1 ZINC000592306046 355147387 /nfs/dbraw/zinc/14/73/87/355147387.db2.gz AETYQTSJRNNJKM-XCBNKYQSSA-N 1 0 296.283 -0.116 20 5 CBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000592310027 355147511 /nfs/dbraw/zinc/14/75/11/355147511.db2.gz VFJZZPSDPYVYHN-PSASIEDQSA-N 1 0 297.315 -0.001 20 5 CBBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1[nH]ncc1[N+](=O)[O-] ZINC000592338208 355148870 /nfs/dbraw/zinc/14/88/70/355148870.db2.gz RDUGLBVGNLSPLX-WDSKDSINSA-N 1 0 257.225 -0.252 20 5 CBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)CO ZINC000592430497 355152572 /nfs/dbraw/zinc/15/25/72/355152572.db2.gz UVOYBECDTVDNPI-ZJUUUORDSA-N 1 0 286.284 -0.723 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000592432687 355153955 /nfs/dbraw/zinc/15/39/55/355153955.db2.gz LTMZGKGUGFHWOH-CYZMBNFOSA-N 1 0 298.295 -0.316 20 5 CBBDRO CC[NH2+]CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000592459632 355154944 /nfs/dbraw/zinc/15/49/44/355154944.db2.gz OIWXWISQFJHECQ-UHFFFAOYSA-N 1 0 255.278 -0.093 20 5 CBBDRO COC(=O)[C@H]1C[NH2+]CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000592489374 355156980 /nfs/dbraw/zinc/15/69/80/355156980.db2.gz RPFFIGVKTHMCBP-SNVBAGLBSA-N 1 0 297.315 -0.372 20 5 CBBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593062169 355191922 /nfs/dbraw/zinc/19/19/22/355191922.db2.gz AXGGBUSAARXHSC-NWDGAFQWSA-N 1 0 297.311 -0.162 20 5 CBBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(F)(F)F ZINC000594451127 355248644 /nfs/dbraw/zinc/24/86/44/355248644.db2.gz LLFHBKYPJWIVJO-BYPYZUCNSA-N 1 0 267.167 -0.063 20 5 CBBDRO C[C@H](O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000594064168 355236229 /nfs/dbraw/zinc/23/62/29/355236229.db2.gz KZRRLDACWPUBBA-CABZTGNLSA-N 1 0 284.316 -0.003 20 5 CBBDRO [NH3+]C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000594451889 355248833 /nfs/dbraw/zinc/24/88/33/355248833.db2.gz RWPLZAIXUGERPL-RXMQYKEDSA-N 1 0 281.194 -0.203 20 5 CBBDRO Cc1n[nH]c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594391626 355245005 /nfs/dbraw/zinc/24/50/05/355245005.db2.gz AURQYWGLZNVXFG-DTWKUNHWSA-N 1 0 295.299 -0.483 20 5 CBBDRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595106365 355271337 /nfs/dbraw/zinc/27/13/37/355271337.db2.gz UFLRZLDUKABVTC-SSDOTTSWSA-N 1 0 272.286 -0.289 20 5 CBBDRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108866 355271463 /nfs/dbraw/zinc/27/14/63/355271463.db2.gz VKGLLHMEPGZLHM-SSDOTTSWSA-N 1 0 274.302 -0.137 20 5 CBBDRO C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH3+] ZINC000595229105 355273856 /nfs/dbraw/zinc/27/38/56/355273856.db2.gz RHZLMRJZBZLJHN-SCZZXKLOSA-N 1 0 267.289 -0.013 20 5 CBBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@H]2C[NH2+]CCO2)c1 ZINC000594699201 355258035 /nfs/dbraw/zinc/25/80/35/355258035.db2.gz REDMBPPGLVEKIY-SECBINFHSA-N 1 0 297.267 -0.469 20 5 CBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC12CC(C1)C[NH2+]2 ZINC000595986026 355335628 /nfs/dbraw/zinc/33/56/28/355335628.db2.gz HHSFIZXORZYASQ-UHFFFAOYSA-N 1 0 265.273 -0.341 20 5 CBBDRO [NH3+]CCN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000595902238 355316509 /nfs/dbraw/zinc/31/65/09/355316509.db2.gz OHYUHPOGEWZOIY-LBPRGKRZSA-N 1 0 299.327 -0.413 20 5 CBBDRO [NH3+]CCN(CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000595903714 355316691 /nfs/dbraw/zinc/31/66/91/355316691.db2.gz ZYJYNWLCPUODQV-LLVKDONJSA-N 1 0 299.327 -0.413 20 5 CBBDRO CC[C@@H]([NH2+]C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595925614 355318980 /nfs/dbraw/zinc/31/89/80/355318980.db2.gz ADLBFJGQMHMIOA-SECBINFHSA-N 1 0 255.278 -0.095 20 5 CBBDRO [NH3+]C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCC1 ZINC000595967228 355330690 /nfs/dbraw/zinc/33/06/90/355330690.db2.gz ORICEIAEEKUHCN-UHFFFAOYSA-N 1 0 268.277 -0.426 20 5 CBBDRO C[C@]1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[NH2+]C1 ZINC000595993121 355337139 /nfs/dbraw/zinc/33/71/39/355337139.db2.gz VVBQHPWOULLUDA-LBPRGKRZSA-N 1 0 280.284 -0.375 20 5 CBBDRO [NH3+]CC12CC(C1)CN2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595269610 355277303 /nfs/dbraw/zinc/27/73/03/355277303.db2.gz VCNZKDXKVAFYCR-UHFFFAOYSA-N 1 0 294.315 -0.076 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596108219 355341670 /nfs/dbraw/zinc/34/16/70/355341670.db2.gz ZLLCGJKOEHIYCL-UHFFFAOYSA-N 1 0 295.299 -0.699 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596578748 355359143 /nfs/dbraw/zinc/35/91/43/355359143.db2.gz DHNXPXZFCYDCDA-UHFFFAOYSA-N 1 0 280.284 -0.252 20 5 CBBDRO CN1CCOC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000599160803 355467703 /nfs/dbraw/zinc/46/77/03/355467703.db2.gz OKLIWIPIJANLLS-SECBINFHSA-N 1 0 295.299 -0.169 20 5 CBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599176010 355469936 /nfs/dbraw/zinc/46/99/36/355469936.db2.gz NYZVMFKMLQGRHE-SECBINFHSA-N 1 0 295.299 -0.433 20 5 CBBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599202948 355472266 /nfs/dbraw/zinc/47/22/66/355472266.db2.gz SIINGAOTSNATMO-QMMMGPOBSA-N 1 0 255.278 -0.193 20 5 CBBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600537125 355557814 /nfs/dbraw/zinc/55/78/14/355557814.db2.gz XXJRRXHFNDSYHZ-SECBINFHSA-N 1 0 294.311 -0.027 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccncc1[N+](=O)[O-] ZINC000599767356 355514145 /nfs/dbraw/zinc/51/41/45/355514145.db2.gz WPIDQFXWWYPBGF-SECBINFHSA-N 1 0 295.299 -0.400 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[NH2+]C1 ZINC000599920382 355518437 /nfs/dbraw/zinc/51/84/37/355518437.db2.gz JHBUSJBFRNVXHG-MRVPVSSYSA-N 1 0 268.277 -0.548 20 5 CBBDRO Cn1c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600808220 355566857 /nfs/dbraw/zinc/56/68/57/355566857.db2.gz MYXUJEDEOZNRBJ-VIFPVBQESA-N 1 0 282.300 -0.270 20 5 CBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600808822 355567131 /nfs/dbraw/zinc/56/71/31/355567131.db2.gz SGQAGRXKYQSDHT-VIFPVBQESA-N 1 0 296.283 -0.508 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000610336112 355778069 /nfs/dbraw/zinc/77/80/69/355778069.db2.gz KHAMQPCWBTWWGP-JFGNBEQYSA-N 1 0 281.316 -0.697 20 5 CBBDRO C[C@@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000610654048 355784280 /nfs/dbraw/zinc/78/42/80/355784280.db2.gz FROMOJQYFFCYCV-BDAKNGLRSA-N 1 0 294.315 -0.072 20 5 CBBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000618923311 356200400 /nfs/dbraw/zinc/20/04/00/356200400.db2.gz DUSQOWXTTWKDNS-LBPRGKRZSA-N 1 0 297.315 -0.153 20 5 CBBDRO [NH3+][C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178323271 189106628 /nfs/dbraw/zinc/10/66/28/189106628.db2.gz GEINCBOFPVVOOY-MRVPVSSYSA-N 1 0 253.262 -0.259 20 5 CBBDRO [NH3+]C[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178271462 189101645 /nfs/dbraw/zinc/10/16/45/189101645.db2.gz GBRCWCYWRMORIG-QMMMGPOBSA-N 1 0 253.262 -0.259 20 5 CBBDRO [NH3+]C[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178271452 189101932 /nfs/dbraw/zinc/10/19/32/189101932.db2.gz GBRCWCYWRMORIG-MRVPVSSYSA-N 1 0 253.262 -0.259 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178740740 189142211 /nfs/dbraw/zinc/14/22/11/189142211.db2.gz WSATXCZYPZRISC-VIFPVBQESA-N 1 0 267.289 -0.032 20 5 CBBDRO NC(=O)c1ccc(CN(CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC000342404806 216340730 /nfs/dbraw/zinc/34/07/30/216340730.db2.gz ZDCOCRQGBHIHRZ-UHFFFAOYSA-N 1 0 282.300 -0.553 20 5 CBBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000185196998 189406666 /nfs/dbraw/zinc/40/66/66/189406666.db2.gz YIWORVQUTBKBER-OPRDCNLKSA-N 1 0 279.300 -0.013 20 5 CBBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@H]21 ZINC000342763779 216518517 /nfs/dbraw/zinc/51/85/17/216518517.db2.gz YVOSJJLIJYIDJQ-IVZWLZJFSA-N 1 0 294.315 -0.228 20 5 CBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000330650995 203078751 /nfs/dbraw/zinc/07/87/51/203078751.db2.gz JYUSCFYZWGVLFX-SECBINFHSA-N 1 0 297.315 -0.269 20 5 CBBDRO CC(C)(C(=O)NC[C@@H]1C[NH2+]CCO1)n1cc([N+](=O)[O-])cn1 ZINC000574311714 335009213 /nfs/dbraw/zinc/00/92/13/335009213.db2.gz CGYGDMVPQMPYIF-JTQLQIEISA-N 1 0 297.315 -0.369 20 5 CBBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@]1(CO)CCOC1 ZINC000330910532 203380723 /nfs/dbraw/zinc/38/07/23/203380723.db2.gz VLTRLOUEYRYOGX-LLVKDONJSA-N 1 0 270.289 -0.126 20 5 CBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574392020 335015321 /nfs/dbraw/zinc/01/53/21/335015321.db2.gz JTZDWDYEYGEGKC-JTQLQIEISA-N 1 0 296.331 -0.880 20 5 CBBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]CC1 ZINC000170319239 372828386 /nfs/dbraw/zinc/82/83/86/372828386.db2.gz WUSDLLHPXUMFIO-UHFFFAOYSA-N 1 0 278.268 -0.035 20 5 CBBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(CO)CO ZINC000270344613 372919609 /nfs/dbraw/zinc/91/96/09/372919609.db2.gz PXWMPUWBJFISEF-UHFFFAOYSA-N 1 0 272.305 -0.286 20 5 CBBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(N)=O ZINC000286088893 372955593 /nfs/dbraw/zinc/95/55/93/372955593.db2.gz HRKSPRAKWRHOLO-PSASIEDQSA-N 1 0 267.289 -0.156 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCOCC[NH+](C)C ZINC000360662556 373224448 /nfs/dbraw/zinc/22/44/48/373224448.db2.gz GYYZFTAJVOYRHN-UHFFFAOYSA-N 1 0 285.304 -0.364 20 5 CBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000360842330 373240748 /nfs/dbraw/zinc/24/07/48/373240748.db2.gz WDOGQGQFTYQLSL-LLVKDONJSA-N 1 0 283.288 -0.875 20 5 CBBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000362089704 373367993 /nfs/dbraw/zinc/36/79/93/373367993.db2.gz JUQJNGNJBWVYKM-CKYFFXLPSA-N 1 0 284.316 -0.288 20 5 CBBDRO CN(CC(=O)N1CC[NH2+]CC1)Cc1c([N+](=O)[O-])ncn1C ZINC000430659602 373673032 /nfs/dbraw/zinc/67/30/32/373673032.db2.gz ZWXRGCMISFYLJN-UHFFFAOYSA-N 1 0 296.331 -0.808 20 5 CBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000518763016 373821399 /nfs/dbraw/zinc/82/13/99/373821399.db2.gz MCUXKRDPDMXSMV-UHFFFAOYSA-N 1 0 295.343 -0.090 20 5 CBBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262471586 190055651 /nfs/dbraw/zinc/05/56/51/190055651.db2.gz ZCNZSNXHUXZASZ-GHMZBOCLSA-N 1 0 279.296 -0.024 20 5 CBBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356453284 248252016 /nfs/dbraw/zinc/25/20/16/248252016.db2.gz ZJHPRXRRIQOTDE-UHFFFAOYSA-N 1 0 285.304 -0.364 20 5 CBBDRO C[C@@H]1COCCN1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356467312 248255276 /nfs/dbraw/zinc/25/52/76/248255276.db2.gz ZMGCRAFZWIQAMJ-SECBINFHSA-N 1 0 297.315 -0.221 20 5 CBBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356461361 248255288 /nfs/dbraw/zinc/25/52/88/248255288.db2.gz OURSMYPOXQCYNR-VIFPVBQESA-N 1 0 297.315 -0.221 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@H+]1CC=CCC1 ZINC000357637968 248384583 /nfs/dbraw/zinc/38/45/83/248384583.db2.gz ULIDVSLIGJDQFE-UHFFFAOYSA-N 1 0 280.288 -0.436 20 5 CBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000278717471 194119827 /nfs/dbraw/zinc/11/98/27/194119827.db2.gz KMLDZBBXBYPQCP-RAIGVLPGSA-N 1 0 298.295 -0.628 20 5 CBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000266564195 190267611 /nfs/dbraw/zinc/26/76/11/190267611.db2.gz YXLBUENQGHFVFL-GXSJLCMTSA-N 1 0 270.289 -0.127 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)[NH2+]1 ZINC000153312816 207383501 /nfs/dbraw/zinc/38/35/01/207383501.db2.gz GWEJDZGKDBTGEH-YUMQZZPRSA-N 1 0 268.277 -0.605 20 5 CBBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000427573568 208064622 /nfs/dbraw/zinc/06/46/22/208064622.db2.gz KKGNABTYKQRKSS-JGVFFNPUSA-N 1 0 268.277 -0.700 20 5 CBBDRO C[NH2+][C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428449530 208088588 /nfs/dbraw/zinc/08/85/88/208088588.db2.gz UDXKSHABSLUMQA-QMMMGPOBSA-N 1 0 253.262 -0.388 20 5 CBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCC[NH2+]C1 ZINC000428628351 208094550 /nfs/dbraw/zinc/09/45/50/208094550.db2.gz UHQMYKIEACZXKZ-SNVBAGLBSA-N 1 0 294.311 -0.128 20 5 CBBDRO CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[NH2+]C1 ZINC000429108907 208109492 /nfs/dbraw/zinc/10/94/92/208109492.db2.gz IVWIKAHBADYSEA-VIFPVBQESA-N 1 0 282.304 -0.213 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000429186844 208114035 /nfs/dbraw/zinc/11/40/35/208114035.db2.gz VNAYICGDEIVECD-DTWKUNHWSA-N 1 0 267.289 -0.013 20 5 CBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1[NH3+] ZINC000429180352 208114087 /nfs/dbraw/zinc/11/40/87/208114087.db2.gz XRNFMRHYRZHQMX-KOLCDFICSA-N 1 0 294.311 -0.048 20 5 CBBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000429184475 208114116 /nfs/dbraw/zinc/11/41/16/208114116.db2.gz BQCIJSPHEHAHPP-HTQZYQBOSA-N 1 0 268.277 -0.570 20 5 CBBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1[NH3+] ZINC000429180351 208115281 /nfs/dbraw/zinc/11/52/81/208115281.db2.gz XRNFMRHYRZHQMX-GXSJLCMTSA-N 1 0 294.311 -0.048 20 5 CBBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000432514613 208225992 /nfs/dbraw/zinc/22/59/92/208225992.db2.gz MXDZAUNEORSXCK-DTWKUNHWSA-N 1 0 267.289 -0.095 20 5 CBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435244919 208276149 /nfs/dbraw/zinc/27/61/49/208276149.db2.gz JBOPYMBEZUPRMZ-VIFPVBQESA-N 1 0 280.288 -0.461 20 5 CBBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000434672741 208264717 /nfs/dbraw/zinc/26/47/17/208264717.db2.gz ZLVFBTOWZHVGEA-JGVFFNPUSA-N 1 0 268.277 -0.605 20 5 CBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000353772007 220323268 /nfs/dbraw/zinc/32/32/68/220323268.db2.gz XPOUATBWANKDCT-UHFFFAOYSA-N 1 0 267.289 -0.093 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)c1 ZINC000575040620 335057855 /nfs/dbraw/zinc/05/78/55/335057855.db2.gz BQEBAWYZKOVRJC-ZNSHCXBVSA-N 1 0 268.273 -0.613 20 5 CBBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000262078758 289161886 /nfs/dbraw/zinc/16/18/86/289161886.db2.gz SZQHHHXSUUWZTB-NSHDSACASA-N 1 0 267.289 -0.011 20 5 CBBDRO O=C(NCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000035307409 172121042 /nfs/dbraw/zinc/12/10/42/172121042.db2.gz YHWUYHZKJVIYLL-UHFFFAOYSA-N 1 0 281.316 -0.052 20 5 CBBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285500435 196306336 /nfs/dbraw/zinc/30/63/36/196306336.db2.gz XPVPDHVPERNNTQ-UHFFFAOYSA-N 1 0 285.304 -0.032 20 5 CBBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000040676266 174373864 /nfs/dbraw/zinc/37/38/64/174373864.db2.gz SEJDAUWGLFXQHQ-NWDGAFQWSA-N 1 0 279.296 -0.024 20 5 CBBDRO Nc1ccc(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000367187918 227243354 /nfs/dbraw/zinc/24/33/54/227243354.db2.gz SXISXICNTOXKGY-NEPJUHHUSA-N 1 0 292.295 -0.010 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+](CCO)CCO ZINC000049753475 419453265 /nfs/dbraw/zinc/45/32/65/419453265.db2.gz NUAWGGUMEDOLSC-UHFFFAOYSA-N 1 0 258.278 -0.614 20 5 CBBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)C1CC[NH+](CCO)CC1 ZINC000357614239 419890559 /nfs/dbraw/zinc/89/05/59/419890559.db2.gz PBHHJNLKESTXOH-UHFFFAOYSA-N 1 0 296.331 -0.140 20 5 CBBDRO C[N@@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000358342517 419893770 /nfs/dbraw/zinc/89/37/70/419893770.db2.gz SCFUJUXLAZRQKZ-SNVBAGLBSA-N 1 0 268.277 -0.555 20 5 CBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000358803707 419921801 /nfs/dbraw/zinc/92/18/01/419921801.db2.gz SUQBVWKZFYILGX-QWRGUYRKSA-N 1 0 295.295 -0.058 20 5 CBBDRO C[C@H](Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)[NH+](C)C ZINC000358865041 419926155 /nfs/dbraw/zinc/92/61/55/419926155.db2.gz YTPNLRQZVJHTNY-SSDOTTSWSA-N 1 0 268.273 -0.195 20 5 CBBDRO CO[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1 ZINC000359211927 419948000 /nfs/dbraw/zinc/94/80/00/419948000.db2.gz KAUDIHNENVQUEZ-NXEZZACHSA-N 1 0 297.315 -0.244 20 5 CBBDRO CO[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000359210689 419948223 /nfs/dbraw/zinc/94/82/23/419948223.db2.gz BJQGAFSNUKPFLG-ONGXEEELSA-N 1 0 297.315 -0.244 20 5 CBBDRO O=[N+]([O-])c1ccn(CCN2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000359284821 419956459 /nfs/dbraw/zinc/95/64/59/419956459.db2.gz VDJNDVZNZBZLJC-AOOOYVTPSA-N 1 0 251.290 -0.058 20 5 CBBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000365334301 420060316 /nfs/dbraw/zinc/06/03/16/420060316.db2.gz ISIWMHYSQCINBC-RWMBFGLXSA-N 1 0 296.371 -0.110 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000368010895 420121496 /nfs/dbraw/zinc/12/14/96/420121496.db2.gz VCHPBAUTGHPPSR-GMTAPVOTSA-N 1 0 268.317 -0.842 20 5 CBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366532940 420087788 /nfs/dbraw/zinc/08/77/88/420087788.db2.gz SRMOKVRKGGATKE-JZYVYDRUSA-N 1 0 265.273 -0.485 20 5 CBBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH2+]CCO1 ZINC000423719698 420256740 /nfs/dbraw/zinc/25/67/40/420256740.db2.gz GEKVZVNEEOHYMP-JTQLQIEISA-N 1 0 291.267 0.398 20 5 CBBDRO CN1CCOC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000599160914 420491526 /nfs/dbraw/zinc/49/15/26/420491526.db2.gz LPHXLYVFSPTMAX-MRVPVSSYSA-N 1 0 267.289 0.315 20 5 CBBDRO Nc1nccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600536030 420492053 /nfs/dbraw/zinc/49/20/53/420492053.db2.gz VUJQKXASNJTUGU-MRVPVSSYSA-N 1 0 295.299 -0.632 20 5 CBBDRO CN1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000519596145 265486498 /nfs/dbraw/zinc/48/64/98/265486498.db2.gz KIBXWNZSBZUUKB-GHMZBOCLSA-N 1 0 297.315 -0.637 20 5 CBBDRO C[NH2+]C[C@@H](C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237298899 269580541 /nfs/dbraw/zinc/58/05/41/269580541.db2.gz AGEGZYKIAXMRDH-SECBINFHSA-N 1 0 282.300 -0.272 20 5 CBBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000193582974 277762402 /nfs/dbraw/zinc/76/24/02/277762402.db2.gz CLNPGVMBYWRBEK-SCZZXKLOSA-N 1 0 267.289 -0.095 20 5 CBBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000573923409 327273018 /nfs/dbraw/zinc/27/30/18/327273018.db2.gz QTGILBJZQRWBFZ-BDAKNGLRSA-N 1 0 282.300 -0.002 20 5 CBBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000575331430 327484153 /nfs/dbraw/zinc/48/41/53/327484153.db2.gz WHJWSATYOSJZES-NXEZZACHSA-N 1 0 277.284 -0.262 20 5 CBBDRO CN(C)C(=O)CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390031530 328965200 /nfs/dbraw/zinc/96/52/00/328965200.db2.gz DKKVZPZRQJLONM-NSHDSACASA-N 1 0 299.331 -0.390 20 5 CBBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCO1 ZINC000583023873 329299399 /nfs/dbraw/zinc/29/93/99/329299399.db2.gz RHAUAECAJHESPJ-MRVPVSSYSA-N 1 0 282.256 -0.505 20 5 CBBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1O ZINC000583033982 329305808 /nfs/dbraw/zinc/30/58/08/329305808.db2.gz MHWHOQAXHNEDQZ-YUMQZZPRSA-N 1 0 269.261 -0.935 20 5 CBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000584469229 329492853 /nfs/dbraw/zinc/49/28/53/329492853.db2.gz SDUBUDQYGMQQET-SVRRBLITSA-N 1 0 251.246 -0.248 20 5 CBBDRO O=C(C[C@@H]1C[NH2+]CCO1)NCCn1cc([N+](=O)[O-])cn1 ZINC000572400802 330060606 /nfs/dbraw/zinc/06/06/06/330060606.db2.gz AYENEJGIHAMQCF-SNVBAGLBSA-N 1 0 283.288 -0.714 20 5 CBBDRO CC(=O)NCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576277138 335181049 /nfs/dbraw/zinc/18/10/49/335181049.db2.gz QPMJWYGMCIIXDQ-LLVKDONJSA-N 1 0 285.304 -0.780 20 5 CBBDRO [NH3+]Cc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000565000825 334533798 /nfs/dbraw/zinc/53/37/98/334533798.db2.gz KWTYLLZZGZTITR-UHFFFAOYSA-N 1 0 290.283 -0.039 20 5 CBBDRO C[C@H](NC(=O)C(=O)NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000576612170 335226453 /nfs/dbraw/zinc/22/64/53/335226453.db2.gz XUWGRYHRMODEAH-QMMMGPOBSA-N 1 0 292.295 -0.140 20 5 CBBDRO C[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000576612169 335226560 /nfs/dbraw/zinc/22/65/60/335226560.db2.gz XUWGRYHRMODEAH-MRVPVSSYSA-N 1 0 292.295 -0.140 20 5 CBBDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCn1cc([N+](=O)[O-])cn1 ZINC000576936655 335266096 /nfs/dbraw/zinc/26/60/96/335266096.db2.gz DDFDNZBCZVTUBK-NSHDSACASA-N 1 0 297.315 -0.324 20 5 CBBDRO COCC[N@H+](C)C[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000385886666 336159439 /nfs/dbraw/zinc/15/94/39/336159439.db2.gz CQAROWDRSNTAAA-VIFPVBQESA-N 1 0 258.278 -0.270 20 5 CBBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000269292444 519796495 /nfs/dbraw/zinc/79/64/95/519796495.db2.gz UYCYRGIBYAFOJZ-VIFPVBQESA-N 1 0 255.278 -0.109 20 5 CBBDRO NC(=O)[C@]1(O)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000375701404 534466406 /nfs/dbraw/zinc/46/64/06/534466406.db2.gz NIKGBVWBYGAOHX-ZDUSSCGKSA-N 1 0 295.295 -0.104 20 5 CBBDRO O=C1NC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]12 ZINC000377683063 534789270 /nfs/dbraw/zinc/78/92/70/534789270.db2.gz ZBURGBPWQXCGFE-VHSXEESVSA-N 1 0 279.300 -0.141 20 5 CBBDRO CC(C)(C[NH3+])NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262553275 527070502 /nfs/dbraw/zinc/07/05/02/527070502.db2.gz UJCLBHSOWNJAEM-UHFFFAOYSA-N 1 0 268.273 -0.390 20 5 CBBDRO C[NH+](C)C[C@](C)(O)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357458082 535974192 /nfs/dbraw/zinc/97/41/92/535974192.db2.gz XLLYEJHATUEVFW-GFCCVEGCSA-N 1 0 297.315 -0.187 20 5 CBBDRO C[NH+](C)C[C@H](O)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000728051198 582143192 /nfs/dbraw/zinc/14/31/92/582143192.db2.gz REWQGZOSEMTBII-ZCFIWIBFSA-N 1 0 256.266 -0.699 20 5 CBBDRO Nc1nc(N2CCC([NH3+])(CO)CC2)ncc1[N+](=O)[O-] ZINC000733895830 582166407 /nfs/dbraw/zinc/16/64/07/582166407.db2.gz NCSJRKOUJRJOST-UHFFFAOYSA-N 1 0 268.277 -0.743 20 5 CBBDRO C[NH+](C)C1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000825856072 582748787 /nfs/dbraw/zinc/74/87/87/582748787.db2.gz MXIDTJRUNOIIMS-UHFFFAOYSA-N 1 0 290.287 -0.080 20 5 CBBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@H]21 ZINC000827335849 582811935 /nfs/dbraw/zinc/81/19/35/582811935.db2.gz AIOHPNCDYFGRFH-VHSXEESVSA-N 1 0 294.315 -0.261 20 5 CBBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839640903 583157462 /nfs/dbraw/zinc/15/74/62/583157462.db2.gz NGJSFTJEDAITRL-GMTAPVOTSA-N 1 0 271.317 -0.121 20 5 CBBDRO CCOCCN1CC(OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842339093 583183385 /nfs/dbraw/zinc/18/33/85/583183385.db2.gz UYWBTZUOOQDERN-NXEZZACHSA-N 1 0 258.274 -0.085 20 5 CBBDRO C[NH2+]C[C@@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843081722 583200714 /nfs/dbraw/zinc/20/07/14/583200714.db2.gz UQTALSYGTDQZQI-VXGBXAGGSA-N 1 0 269.301 -0.202 20 5 CBBDRO CNC(=O)[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843112167 583203096 /nfs/dbraw/zinc/20/30/96/583203096.db2.gz WUDZHCMTUYLVLN-MNOVXSKESA-N 1 0 283.284 -0.675 20 5 CBBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C[NH3+])C1 ZINC000843357093 583211988 /nfs/dbraw/zinc/21/19/88/583211988.db2.gz CEOHGBWOGSXOQF-SNVBAGLBSA-N 1 0 293.327 -0.108 20 5 CBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000844036401 583245542 /nfs/dbraw/zinc/24/55/42/583245542.db2.gz IKMAEQDJKNNHEA-OPRDCNLKSA-N 1 0 284.316 -0.770 20 5 CBBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846356 584093029 /nfs/dbraw/zinc/09/30/29/584093029.db2.gz YCOXGBXFKMCFSV-VHSXEESVSA-N 1 0 294.315 -0.119 20 5 CBBDRO Cn1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000880073580 584261345 /nfs/dbraw/zinc/26/13/45/584261345.db2.gz INTLNOJTOKUTFQ-NWDGAFQWSA-N 1 0 295.343 -0.031 20 5 CBBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@](O)(C[NH+](C)C)C1 ZINC000895010871 584669616 /nfs/dbraw/zinc/66/96/16/584669616.db2.gz XBJOIEYONYXCET-NSHDSACASA-N 1 0 269.305 -0.169 20 5 CBBDRO CCN(CCC[NH2+]CC[N+](=O)[O-])S(C)(=O)=O ZINC000899873845 584782467 /nfs/dbraw/zinc/78/24/67/584782467.db2.gz VRYVCNSYLYNDIF-UHFFFAOYSA-N 1 0 253.324 -0.476 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000236541774 656115212 /nfs/dbraw/zinc/11/52/12/656115212.db2.gz NMUANVMADOYGAB-SFYZADRCSA-N 1 0 298.221 -0.335 20 5 CBBDRO CN1CC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000712587281 656210746 /nfs/dbraw/zinc/21/07/46/656210746.db2.gz RTRJIVZEZDXTSM-ONGXEEELSA-N 1 0 269.305 -0.554 20 5 CBBDRO O=[N+]([O-])CC[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000905040521 656335708 /nfs/dbraw/zinc/33/57/08/656335708.db2.gz MRNKIOJVOAIJRB-UHFFFAOYSA-N 1 0 294.359 -0.145 20 5 CBBDRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]CC[N+](=O)[O-] ZINC000905389950 656356325 /nfs/dbraw/zinc/35/63/25/656356325.db2.gz NFMDTKPTGCUOBC-GFCCVEGCSA-N 1 0 273.333 -0.532 20 5 CBBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000905447322 656357696 /nfs/dbraw/zinc/35/76/96/656357696.db2.gz QCSCXHNYRDVBJO-ZDUSSCGKSA-N 1 0 286.376 -0.351 20 5 CBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCO)CC1 ZINC000996442515 656414528 /nfs/dbraw/zinc/41/45/28/656414528.db2.gz XHXNJNIDRABUFG-NXEZZACHSA-N 1 0 257.290 -0.776 20 5 CBBDRO C[NH2+][C@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000911656457 657097014 /nfs/dbraw/zinc/09/70/14/657097014.db2.gz NXHCHTXFCPHZNR-VIFPVBQESA-N 1 0 267.289 -0.080 20 5 CBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911810023 657137486 /nfs/dbraw/zinc/13/74/86/657137486.db2.gz KMIRRSOCRHCREI-QMMMGPOBSA-N 1 0 267.289 -0.080 20 5 CBBDRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000911945396 657171669 /nfs/dbraw/zinc/17/16/69/657171669.db2.gz JBFUTUVUERRZHY-GHMZBOCLSA-N 1 0 271.317 -0.433 20 5 CBBDRO Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138882 658016741 /nfs/dbraw/zinc/01/67/41/658016741.db2.gz GGEPSVBMMQYKOR-ZYUZMQFOSA-N 1 0 294.315 -0.783 20 5 CBBDRO Cn1cncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139292 658017238 /nfs/dbraw/zinc/01/72/38/658017238.db2.gz WXBKNNWZWRRVQP-CNVPUSNMSA-N 1 0 293.327 -0.178 20 5 CBBDRO C[NH2+][C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923284984 658194550 /nfs/dbraw/zinc/19/45/50/658194550.db2.gz YNKQMICAKXOZRF-PWSUYJOCSA-N 1 0 283.332 -0.164 20 5 CBBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923331021 658217424 /nfs/dbraw/zinc/21/74/24/658217424.db2.gz AFBTUYONKRXRRV-UMNHJUIQSA-N 1 0 283.332 -0.166 20 5 CBBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923344764 658223061 /nfs/dbraw/zinc/22/30/61/658223061.db2.gz IIYNARTXNAMHSO-UMNHJUIQSA-N 1 0 283.332 -0.166 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923360127 658229269 /nfs/dbraw/zinc/22/92/69/658229269.db2.gz WIEXXRIYPPFYGV-CYZMBNFOSA-N 1 0 295.343 -0.164 20 5 CBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923360130 658231094 /nfs/dbraw/zinc/23/10/94/658231094.db2.gz WIEXXRIYPPFYGV-UHTWSYAYSA-N 1 0 295.343 -0.164 20 5 CBBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC[N+](=O)[O-])CC1 ZINC000930073207 659202809 /nfs/dbraw/zinc/20/28/09/659202809.db2.gz XEQMWOYOBIMLCF-LLVKDONJSA-N 1 0 270.333 -0.323 20 5 CBBDRO O=C(C[NH+]1CCCC1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991746430 659844136 /nfs/dbraw/zinc/84/41/36/659844136.db2.gz FFJVZWIZPULEMA-GHMZBOCLSA-N 1 0 296.327 -0.926 20 5 CBBDRO