smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[N@@H+](C)CCO ZINC001173227520 912319067 /nfs/dbraw/zinc/31/90/67/912319067.db2.gz GSCCPDJAURTZOR-CYBMUJFWSA-N 2 1 295.383 1.430 20 5 CDBDMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968145 927592222 /nfs/dbraw/zinc/59/22/22/927592222.db2.gz WQDHTECYIXUZBT-AAEUAGOBSA-N 2 1 255.362 1.506 20 5 CDBDMP C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001262256843 946549357 /nfs/dbraw/zinc/54/93/57/946549357.db2.gz WJHNWBKETUPCQH-VXGBXAGGSA-N 2 1 255.362 1.506 20 5 CDBDMP C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001262256843 946549367 /nfs/dbraw/zinc/54/93/67/946549367.db2.gz WJHNWBKETUPCQH-VXGBXAGGSA-N 2 1 255.362 1.506 20 5 CDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC[NH2+]C1 ZINC000592495894 342696957 /nfs/dbraw/zinc/69/69/57/342696957.db2.gz WEOWIPSJWGRJHV-LBPRGKRZSA-N 2 1 263.341 1.679 20 5 CDBDMP COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168626921 361335466 /nfs/dbraw/zinc/33/54/66/361335466.db2.gz UPVSAEPPTGQZFF-JQWIXIFHSA-N 2 1 279.340 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168626921 361335469 /nfs/dbraw/zinc/33/54/69/361335469.db2.gz UPVSAEPPTGQZFF-JQWIXIFHSA-N 2 1 279.340 1.773 20 5 CDBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000420329352 374293704 /nfs/dbraw/zinc/29/37/04/374293704.db2.gz JPCWQKLJJQAVNN-UHFFFAOYSA-N 2 1 292.339 1.345 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000583094942 325106955 /nfs/dbraw/zinc/10/69/55/325106955.db2.gz RZDUSUKHYWDNIW-NEPJUHHUSA-N 2 1 279.340 1.963 20 5 CDBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC[N+](=O)[O-])C1 ZINC000905045924 626384557 /nfs/dbraw/zinc/38/45/57/626384557.db2.gz NDCBTAVKZPIHPO-BETUJISGSA-N 2 1 257.378 1.611 20 5 CDBDMP Cc1nc(NCC[NH+]2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000721981512 679141907 /nfs/dbraw/zinc/14/19/07/679141907.db2.gz QSYSTYAKRNCNHW-UHFFFAOYSA-N 2 1 279.344 1.133 20 5 CDBDMP C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCC([NH3+])CC1 ZINC001168975732 927598803 /nfs/dbraw/zinc/59/88/03/927598803.db2.gz XATMGWMMAUIBPF-YWPUVAFDSA-N 2 1 255.362 1.634 20 5 CDBDMP CN(CC[NH+](C)C)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163590909 939290406 /nfs/dbraw/zinc/29/04/06/939290406.db2.gz IZIPPJJMGQHBLD-VOTSOKGWSA-N 2 1 293.371 1.520 20 5 CDBDMP C[N+](C)(C)CCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224771299 941789845 /nfs/dbraw/zinc/78/98/45/941789845.db2.gz IVODJIMJWAMUNW-MRXNPFEDSA-N 2 1 263.405 1.984 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246930238 948525462 /nfs/dbraw/zinc/52/54/62/948525462.db2.gz IJMIEQDFVXUHPS-IGQOVBAYSA-N 2 1 267.373 1.363 20 5 CDBDMP CCO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000405810784 345486037 /nfs/dbraw/zinc/48/60/37/345486037.db2.gz UPRYDUAOBUEZEK-UKRRQHHQSA-N 2 1 293.367 1.699 20 5 CDBDMP CCO[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000405810784 345486040 /nfs/dbraw/zinc/48/60/40/345486040.db2.gz UPRYDUAOBUEZEK-UKRRQHHQSA-N 2 1 293.367 1.699 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+](C)C ZINC000453098624 252268925 /nfs/dbraw/zinc/26/89/25/252268925.db2.gz JQSQEHCICIHLGB-AAEUAGOBSA-N 2 1 281.356 1.038 20 5 CDBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000442760608 392492426 /nfs/dbraw/zinc/49/24/26/392492426.db2.gz VDCNFQPASODFGG-VXGBXAGGSA-N 2 1 279.340 1.643 20 5 CDBDMP CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923343379 681922839 /nfs/dbraw/zinc/92/28/39/681922839.db2.gz AJWXSPIJUVTDMC-KCPJHIHWSA-N 2 1 293.367 1.687 20 5 CDBDMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923343379 681922846 /nfs/dbraw/zinc/92/28/46/681922846.db2.gz AJWXSPIJUVTDMC-KCPJHIHWSA-N 2 1 293.367 1.687 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000923485315 682522833 /nfs/dbraw/zinc/52/28/33/682522833.db2.gz HOUYKTOHBLBCCQ-GFCCVEGCSA-N 2 1 279.340 1.644 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000723675272 683893315 /nfs/dbraw/zinc/89/33/15/683893315.db2.gz WFVQCLMNCZYYSI-CYBMUJFWSA-N 2 1 263.341 1.808 20 5 CDBDMP C[N@H+]1CCC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044535 684050628 /nfs/dbraw/zinc/05/06/28/684050628.db2.gz ZFKJWNMVPJHFDG-TZMCWYRMSA-N 2 1 290.367 1.906 20 5 CDBDMP C[NH+]1CC(CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C1 ZINC001170257950 1162320334 /nfs/dbraw/zinc/32/03/34/1162320334.db2.gz DJKYISSSQQSQAS-UHFFFAOYSA-N 2 1 290.367 1.556 20 5 CDBDMP C[NH+]1CC(CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C1 ZINC001170257950 1162320338 /nfs/dbraw/zinc/32/03/38/1162320338.db2.gz DJKYISSSQQSQAS-UHFFFAOYSA-N 2 1 290.367 1.556 20 5 CDBDMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038684 927649649 /nfs/dbraw/zinc/64/96/49/927649649.db2.gz KEDNAJTYQJDPRV-RDBSUJKOSA-N 2 1 267.373 1.459 20 5 CDBDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038684 927649659 /nfs/dbraw/zinc/64/96/59/927649659.db2.gz KEDNAJTYQJDPRV-RDBSUJKOSA-N 2 1 267.373 1.459 20 5 CDBDMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038684 927649664 /nfs/dbraw/zinc/64/96/64/927649664.db2.gz KEDNAJTYQJDPRV-RDBSUJKOSA-N 2 1 267.373 1.459 20 5 CDBDMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039925 927653832 /nfs/dbraw/zinc/65/38/32/927653832.db2.gz VVMHGVXYAOJIML-WFASDCNBSA-N 2 1 281.400 1.990 20 5 CDBDMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584013 947540508 /nfs/dbraw/zinc/54/05/08/947540508.db2.gz PPFQPLBRSMXYFN-WFASDCNBSA-N 2 1 289.379 1.993 20 5 CDBDMP Cc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592428440 342694776 /nfs/dbraw/zinc/69/47/76/342694776.db2.gz NOINZIXMWFZLQQ-UHFFFAOYSA-N 2 1 292.383 1.240 20 5 CDBDMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000600778353 342248734 /nfs/dbraw/zinc/24/87/34/342248734.db2.gz YTUGDHHZCLAEOL-UHFFFAOYSA-N 2 1 267.329 1.310 20 5 CDBDMP Cc1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261789450 357322774 /nfs/dbraw/zinc/32/27/74/357322774.db2.gz QITYNOXRCOAIGT-TZMCWYRMSA-N 2 1 275.352 1.945 20 5 CDBDMP Cc1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261789450 357322776 /nfs/dbraw/zinc/32/27/76/357322776.db2.gz QITYNOXRCOAIGT-TZMCWYRMSA-N 2 1 275.352 1.945 20 5 CDBDMP C[C@@H]1C[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000422638193 245145169 /nfs/dbraw/zinc/14/51/69/245145169.db2.gz PXKZKJSIPKPLPM-GRYCIOLGSA-N 2 1 281.360 1.097 20 5 CDBDMP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000455661503 285184279 /nfs/dbraw/zinc/18/42/79/285184279.db2.gz QJAFPNQZPMVULF-UHFFFAOYSA-N 2 1 276.340 1.348 20 5 CDBDMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576148991 317085689 /nfs/dbraw/zinc/08/56/89/317085689.db2.gz CZZYKDDSSXFNFC-HNNXBMFYSA-N 2 1 293.367 1.182 20 5 CDBDMP [NH3+]C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923280918 687087877 /nfs/dbraw/zinc/08/78/77/687087877.db2.gz LZNMMPVAYPXUGG-RISCZKNCSA-N 2 1 279.340 1.299 20 5 CDBDMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923280918 687087882 /nfs/dbraw/zinc/08/78/82/687087882.db2.gz LZNMMPVAYPXUGG-RISCZKNCSA-N 2 1 279.340 1.299 20 5 CDBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+](C)C ZINC000866262560 687823827 /nfs/dbraw/zinc/82/38/27/687823827.db2.gz BUYNROVAJDFDOS-GXFFZTMASA-N 2 1 299.346 1.177 20 5 CDBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168966181 927589662 /nfs/dbraw/zinc/58/96/62/927589662.db2.gz GXUFKIIWYPIUSX-JHJVBQTASA-N 2 1 255.362 1.363 20 5 CDBDMP [NH3+]CCCc1[nH+]ccn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007617 927610729 /nfs/dbraw/zinc/61/07/29/927610729.db2.gz OQTGUCKAELVGOV-QWRGUYRKSA-N 2 1 252.318 1.392 20 5 CDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246455065 948183217 /nfs/dbraw/zinc/18/32/17/948183217.db2.gz WHFKXPFAAYWHAV-CYBMUJFWSA-N 3 1 294.399 1.444 20 5 CDBDMP Cn1c[nH+]cc1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346212601 964988934 /nfs/dbraw/zinc/98/89/34/964988934.db2.gz AUYAHRZEVAOTDM-AWEZNQCLSA-N 2 1 290.323 1.194 20 5 CDBDMP O=[N+]([O-])c1ccc(CCN2CCn3cncc3C2)cc1 ZINC000590599155 342579654 /nfs/dbraw/zinc/57/96/54/342579654.db2.gz JKKKQTITIZLTRH-UHFFFAOYSA-N 2 1 272.308 1.850 20 5 CDBDMP C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1CC[NH3+] ZINC000593730807 342830262 /nfs/dbraw/zinc/83/02/62/342830262.db2.gz HHQJASITFUEGBU-NWDGAFQWSA-N 2 1 281.360 1.241 20 5 CDBDMP C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCn1ccnc1 ZINC000282523023 375091133 /nfs/dbraw/zinc/09/11/33/375091133.db2.gz UBUFDWOZDQSUAD-UHFFFAOYSA-N 2 1 274.324 1.966 20 5 CDBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576367 375290479 /nfs/dbraw/zinc/29/04/79/375290479.db2.gz PXTJVIOTSMQCNR-WCQYABFASA-N 2 1 263.341 1.806 20 5 CDBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000363122551 159298931 /nfs/dbraw/zinc/29/89/31/159298931.db2.gz PTUDEGSOXPEDHE-JTQLQIEISA-N 2 1 290.327 1.431 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000071147594 176043726 /nfs/dbraw/zinc/04/37/26/176043726.db2.gz AKYAZPJTLSIAPT-GFCCVEGCSA-N 2 1 263.341 1.945 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000071147594 176043727 /nfs/dbraw/zinc/04/37/27/176043727.db2.gz AKYAZPJTLSIAPT-GFCCVEGCSA-N 2 1 263.341 1.945 20 5 CDBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000357957560 276213646 /nfs/dbraw/zinc/21/36/46/276213646.db2.gz ISPDZAUAALZIMK-CHWSQXEVSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000357957560 276213647 /nfs/dbraw/zinc/21/36/47/276213647.db2.gz ISPDZAUAALZIMK-CHWSQXEVSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000357957560 276213649 /nfs/dbraw/zinc/21/36/49/276213649.db2.gz ISPDZAUAALZIMK-CHWSQXEVSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000357957560 276213650 /nfs/dbraw/zinc/21/36/50/276213650.db2.gz ISPDZAUAALZIMK-CHWSQXEVSA-N 2 1 295.387 1.596 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000583094947 325107191 /nfs/dbraw/zinc/10/71/91/325107191.db2.gz RZDUSUKHYWDNIW-RYUDHWBXSA-N 2 1 279.340 1.963 20 5 CDBDMP C[N@H+](CCOCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000357080504 522892121 /nfs/dbraw/zinc/89/21/21/522892121.db2.gz UKBZQGCXZSEQGM-UHFFFAOYSA-N 2 1 253.302 1.002 20 5 CDBDMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000357080504 522892131 /nfs/dbraw/zinc/89/21/31/522892131.db2.gz UKBZQGCXZSEQGM-UHFFFAOYSA-N 2 1 253.302 1.002 20 5 CDBDMP COc1cc(C[NH2+]CCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000903938910 626150769 /nfs/dbraw/zinc/15/07/69/626150769.db2.gz PVYOTIQYYYKOFS-UHFFFAOYSA-N 2 1 297.355 1.829 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000923485289 694537255 /nfs/dbraw/zinc/53/72/55/694537255.db2.gz HABKNIDHGIYXTD-GFCCVEGCSA-N 2 1 279.340 1.644 20 5 CDBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923352274 693378671 /nfs/dbraw/zinc/37/86/71/693378671.db2.gz CLJGQGAHWFQEQJ-ZFWWWQNUSA-N 2 1 293.367 1.832 20 5 CDBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000876818374 723393704 /nfs/dbraw/zinc/39/37/04/723393704.db2.gz SUVMDWCFQXDOAZ-CHWSQXEVSA-N 2 1 275.352 1.863 20 5 CDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000819105846 930759269 /nfs/dbraw/zinc/75/92/69/930759269.db2.gz QFBTYKFAZAYKCL-ZLDLUXBVSA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000819105846 930759278 /nfs/dbraw/zinc/75/92/78/930759278.db2.gz QFBTYKFAZAYKCL-ZLDLUXBVSA-N 2 1 293.367 1.701 20 5 CDBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000886840112 930973848 /nfs/dbraw/zinc/97/38/48/930973848.db2.gz TUFAYZLQDNXCHB-STQMWFEESA-N 2 1 290.367 1.811 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246447267 948178302 /nfs/dbraw/zinc/17/83/02/948178302.db2.gz VCWAONYTDOFXNF-GXFFZTMASA-N 2 1 261.325 1.477 20 5 CDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C1 ZINC000414892210 369322056 /nfs/dbraw/zinc/32/20/56/369322056.db2.gz XMXCKKZRZWBVRG-WCQYABFASA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422746231 245207566 /nfs/dbraw/zinc/20/75/66/245207566.db2.gz WFKRERGXEHZSMM-SMDDNHRTSA-N 2 1 263.341 1.725 20 5 CDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]2)n1 ZINC000423235888 392961233 /nfs/dbraw/zinc/96/12/33/392961233.db2.gz NMKCDOGHAXGPAN-FRRDWIJNSA-N 2 1 293.371 1.617 20 5 CDBDMP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430623911 393103098 /nfs/dbraw/zinc/10/30/98/393103098.db2.gz HIRXCGKDIYNHLC-GFCCVEGCSA-N 2 1 279.340 1.644 20 5 CDBDMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430623911 393103103 /nfs/dbraw/zinc/10/31/03/393103103.db2.gz HIRXCGKDIYNHLC-GFCCVEGCSA-N 2 1 279.340 1.644 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000176259781 148033055 /nfs/dbraw/zinc/03/30/55/148033055.db2.gz XCIACNUUBDESKG-CYBMUJFWSA-N 2 1 293.371 1.209 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000176259781 148033060 /nfs/dbraw/zinc/03/30/60/148033060.db2.gz XCIACNUUBDESKG-CYBMUJFWSA-N 2 1 293.371 1.209 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423469003 275038147 /nfs/dbraw/zinc/03/81/47/275038147.db2.gz ZTKMLPODCZKSNN-LJISPDSOSA-N 2 1 273.336 1.780 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000569017841 294143838 /nfs/dbraw/zinc/14/38/38/294143838.db2.gz RZBMAWAXNYAFGF-VXGBXAGGSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000569017841 294143840 /nfs/dbraw/zinc/14/38/40/294143840.db2.gz RZBMAWAXNYAFGF-VXGBXAGGSA-N 2 1 279.340 1.785 20 5 CDBDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000577620788 317368597 /nfs/dbraw/zinc/36/85/97/317368597.db2.gz QZKONNVUTGJEAE-STQMWFEESA-N 2 1 265.313 1.443 20 5 CDBDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931432207 696195032 /nfs/dbraw/zinc/19/50/32/696195032.db2.gz KIYMEHWJWGSTGV-KGLIPLIRSA-N 2 1 275.352 1.978 20 5 CDBDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931432207 696195036 /nfs/dbraw/zinc/19/50/36/696195036.db2.gz KIYMEHWJWGSTGV-KGLIPLIRSA-N 2 1 275.352 1.978 20 5 CDBDMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817964523 724401990 /nfs/dbraw/zinc/40/19/90/724401990.db2.gz BSWGVBDPLYJUIP-MRVPVSSYSA-N 2 1 250.302 1.047 20 5 CDBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876818373 724431572 /nfs/dbraw/zinc/43/15/72/724431572.db2.gz SUVMDWCFQXDOAZ-BETUJISGSA-N 2 1 275.352 1.863 20 5 CDBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876818373 724431575 /nfs/dbraw/zinc/43/15/75/724431575.db2.gz SUVMDWCFQXDOAZ-BETUJISGSA-N 2 1 275.352 1.863 20 5 CDBDMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817970800 724587180 /nfs/dbraw/zinc/58/71/80/724587180.db2.gz FIXSVFJBZJDATD-JFGNBEQYSA-N 2 1 278.356 1.968 20 5 CDBDMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959742 725406491 /nfs/dbraw/zinc/40/64/91/725406491.db2.gz IBRQXXBMRTWSMK-QPUJVOFHSA-N 2 1 264.329 1.565 20 5 CDBDMP [NH3+][C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899201 912036662 /nfs/dbraw/zinc/03/66/62/912036662.db2.gz MDFGHOARLAVYQG-UONOGXRCSA-N 2 1 275.352 1.875 20 5 CDBDMP [NH3+][C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899201 912036675 /nfs/dbraw/zinc/03/66/75/912036675.db2.gz MDFGHOARLAVYQG-UONOGXRCSA-N 2 1 275.352 1.875 20 5 CDBDMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573002 947533139 /nfs/dbraw/zinc/53/31/39/947533139.db2.gz VEPUOILUHWWXFN-AWEZNQCLSA-N 2 1 286.335 1.941 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000351494101 360612562 /nfs/dbraw/zinc/61/25/62/360612562.db2.gz NHUJMMGZRZHHQS-YNEHKIRRSA-N 2 1 291.351 1.643 20 5 CDBDMP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367604538 364001190 /nfs/dbraw/zinc/00/11/90/364001190.db2.gz UOWJPOUUEFHNIK-FUNVUKJBSA-N 2 1 293.371 1.348 20 5 CDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367604538 364001196 /nfs/dbraw/zinc/00/11/96/364001196.db2.gz UOWJPOUUEFHNIK-FUNVUKJBSA-N 2 1 293.371 1.348 20 5 CDBDMP C[NH+](CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367604538 364001201 /nfs/dbraw/zinc/00/12/01/364001201.db2.gz UOWJPOUUEFHNIK-FUNVUKJBSA-N 2 1 293.371 1.348 20 5 CDBDMP C[NH+](CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367604538 364001202 /nfs/dbraw/zinc/00/12/02/364001202.db2.gz UOWJPOUUEFHNIK-FUNVUKJBSA-N 2 1 293.371 1.348 20 5 CDBDMP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414903087 371073688 /nfs/dbraw/zinc/07/36/88/371073688.db2.gz JBUHMZWWWKNKJY-GFCCVEGCSA-N 2 1 279.340 1.835 20 5 CDBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000430638133 393102403 /nfs/dbraw/zinc/10/24/03/393102403.db2.gz CEKGGLXOYZGNHI-UHFFFAOYSA-N 2 1 279.340 1.657 20 5 CDBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000430638133 393102408 /nfs/dbraw/zinc/10/24/08/393102408.db2.gz CEKGGLXOYZGNHI-UHFFFAOYSA-N 2 1 279.340 1.657 20 5 CDBDMP C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430932396 393105565 /nfs/dbraw/zinc/10/55/65/393105565.db2.gz GDMIPOVDMSFGSX-VXGBXAGGSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430932396 393105569 /nfs/dbraw/zinc/10/55/69/393105569.db2.gz GDMIPOVDMSFGSX-VXGBXAGGSA-N 2 1 279.340 1.643 20 5 CDBDMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967095 1161996422 /nfs/dbraw/zinc/99/64/22/1161996422.db2.gz NGWYKRXTBSVAPA-AGIUHOORSA-N 2 1 255.362 1.506 20 5 CDBDMP NCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956637 927577085 /nfs/dbraw/zinc/57/70/85/927577085.db2.gz CBZLWWZQJURPFT-HUUCEWRRSA-N 2 1 277.368 1.893 20 5 CDBDMP C[NH+](C)/C=C/c1cc(N2CC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001156232754 938338990 /nfs/dbraw/zinc/33/89/90/938338990.db2.gz JCEBAPFIZKCYEM-TZNOJPMFSA-N 2 1 277.328 1.060 20 5 CDBDMP C[NH+](C)/C=C/c1cc(N2C[C@@H]([NH3+])[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC001166929862 939651608 /nfs/dbraw/zinc/65/16/08/939651608.db2.gz DCXZIHBWZYGORG-MJKAUQOVSA-N 2 1 295.318 1.008 20 5 CDBDMP [NH3+]C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000420381183 244177100 /nfs/dbraw/zinc/17/71/00/244177100.db2.gz YZKKYNBEBCBGST-GFCCVEGCSA-N 2 1 281.360 1.289 20 5 CDBDMP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[NH+](C)C1 ZINC000174864962 379597090 /nfs/dbraw/zinc/59/70/90/379597090.db2.gz HKIHRNUYQSMHRF-LBPRGKRZSA-N 2 1 281.360 1.065 20 5 CDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[NH+](C)C1 ZINC000174864962 379597094 /nfs/dbraw/zinc/59/70/94/379597094.db2.gz HKIHRNUYQSMHRF-LBPRGKRZSA-N 2 1 281.360 1.065 20 5 CDBDMP C[NH+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000174864962 379597099 /nfs/dbraw/zinc/59/70/99/379597099.db2.gz HKIHRNUYQSMHRF-LBPRGKRZSA-N 2 1 281.360 1.065 20 5 CDBDMP C[NH+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000174864962 379597102 /nfs/dbraw/zinc/59/71/02/379597102.db2.gz HKIHRNUYQSMHRF-LBPRGKRZSA-N 2 1 281.360 1.065 20 5 CDBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415043576 391249865 /nfs/dbraw/zinc/24/98/65/391249865.db2.gz RSDQLCVOADVTKD-XSHSDMCLSA-N 2 1 291.351 1.576 20 5 CDBDMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389656 392962572 /nfs/dbraw/zinc/96/25/72/392962572.db2.gz VKQMCUSCLMANOD-AGIUHOORSA-N 2 1 295.387 1.863 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000261610164 140363968 /nfs/dbraw/zinc/36/39/68/140363968.db2.gz SGRGDDIXGRCMTQ-KGYLQXTDSA-N 2 1 261.325 1.764 20 5 CDBDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580371921 1172416906 /nfs/dbraw/zinc/41/69/06/1172416906.db2.gz BSNIIJCWPWDBAT-MGPQQGTHSA-N 2 1 279.340 1.488 20 5 CDBDMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169028953 927634305 /nfs/dbraw/zinc/63/43/05/927634305.db2.gz SZENSIUXTFWQBQ-KBPBESRZSA-N 2 1 269.389 1.850 20 5 CDBDMP C[NH+](C)/C=C/c1cc(-n2cnc(C[NH3+])c2)ncc1[N+](=O)[O-] ZINC001154909351 937603490 /nfs/dbraw/zinc/60/34/90/937603490.db2.gz PYEPTPPYPZUHFW-ONEGZZNKSA-N 2 1 288.311 1.167 20 5 CDBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601082 947548903 /nfs/dbraw/zinc/54/89/03/947548903.db2.gz YPIPJHFHVRMTLN-XFJVYGCCSA-N 2 1 289.379 1.992 20 5 CDBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601082 947548907 /nfs/dbraw/zinc/54/89/07/947548907.db2.gz YPIPJHFHVRMTLN-XFJVYGCCSA-N 2 1 289.379 1.992 20 5 CDBDMP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762543 960556504 /nfs/dbraw/zinc/55/65/04/960556504.db2.gz CSYASJNPVMCGHG-RISCZKNCSA-N 2 1 279.340 1.170 20 5 CDBDMP COc1ccc(C[N@H+](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000123303696 350347117 /nfs/dbraw/zinc/34/71/17/350347117.db2.gz VANMYGYKXSKXEC-UHFFFAOYSA-N 2 1 253.302 1.384 20 5 CDBDMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000123303696 350347119 /nfs/dbraw/zinc/34/71/19/350347119.db2.gz VANMYGYKXSKXEC-UHFFFAOYSA-N 2 1 253.302 1.384 20 5 CDBDMP C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000422797122 245266105 /nfs/dbraw/zinc/26/61/05/245266105.db2.gz ZWIMJSWQZVDBMF-WCQYABFASA-N 2 1 263.341 1.867 20 5 CDBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000357957561 391941230 /nfs/dbraw/zinc/94/12/30/391941230.db2.gz ISPDZAUAALZIMK-OLZOCXBDSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000357957561 391941233 /nfs/dbraw/zinc/94/12/33/391941233.db2.gz ISPDZAUAALZIMK-OLZOCXBDSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000357957561 391941236 /nfs/dbraw/zinc/94/12/36/391941236.db2.gz ISPDZAUAALZIMK-OLZOCXBDSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000357957561 391941240 /nfs/dbraw/zinc/94/12/40/391941240.db2.gz ISPDZAUAALZIMK-OLZOCXBDSA-N 2 1 295.387 1.596 20 5 CDBDMP [NH3+]CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423180158 392958647 /nfs/dbraw/zinc/95/86/47/392958647.db2.gz IHDPAWAZJXVGPO-AAEUAGOBSA-N 2 1 263.341 1.854 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449243587 393131803 /nfs/dbraw/zinc/13/18/03/393131803.db2.gz LWHCOSQRDKBWLE-DOMZBBRYSA-N 2 1 293.367 1.182 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449243587 393131812 /nfs/dbraw/zinc/13/18/12/393131812.db2.gz LWHCOSQRDKBWLE-DOMZBBRYSA-N 2 1 293.367 1.182 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000423314472 275038081 /nfs/dbraw/zinc/03/80/81/275038081.db2.gz HJBDLYOXEXPBOC-CQSZACIVSA-N 2 1 261.325 1.781 20 5 CDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000423204992 275040416 /nfs/dbraw/zinc/04/04/16/275040416.db2.gz BGAWBDCGGXPTHZ-IJLUTSLNSA-N 2 1 279.344 1.227 20 5 CDBDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000569017839 294143180 /nfs/dbraw/zinc/14/31/80/294143180.db2.gz RZBMAWAXNYAFGF-NWDGAFQWSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000569017839 294143182 /nfs/dbraw/zinc/14/31/82/294143182.db2.gz RZBMAWAXNYAFGF-NWDGAFQWSA-N 2 1 279.340 1.785 20 5 CDBDMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000904221474 626223617 /nfs/dbraw/zinc/22/36/17/626223617.db2.gz SSEHGCYWBWDUJB-ZDUSSCGKSA-N 2 1 263.341 1.867 20 5 CDBDMP O=[N+]([O-])CC[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000905027273 626390914 /nfs/dbraw/zinc/39/09/14/626390914.db2.gz QFXJYCIDUNEMLY-UHFFFAOYSA-N 2 1 263.341 1.649 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149595 1171645812 /nfs/dbraw/zinc/64/58/12/1171645812.db2.gz LSZCDQIPFIQCNX-GFCCVEGCSA-N 2 1 281.360 1.303 20 5 CDBDMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019059 927660479 /nfs/dbraw/zinc/66/04/79/927660479.db2.gz GNQJTLZKSCWAPS-MQYQWHSLSA-N 2 1 267.373 1.315 20 5 CDBDMP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc([N+](=O)[O-])cc1F ZINC001163126007 939207065 /nfs/dbraw/zinc/20/70/65/939207065.db2.gz MQHDTVFPKPIOIX-UHFFFAOYSA-N 2 1 298.322 1.407 20 5 CDBDMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001345103450 964573735 /nfs/dbraw/zinc/57/37/35/964573735.db2.gz FJOAYRIJXHFXSO-JTQLQIEISA-N 2 1 267.329 1.691 20 5 CDBDMP C[N@@H+](CCOCC[NH3+])CCc1ccccc1[N+](=O)[O-] ZINC000420382112 244179425 /nfs/dbraw/zinc/17/94/25/244179425.db2.gz YFWPRIDDTOZLDS-UHFFFAOYSA-N 2 1 267.329 1.044 20 5 CDBDMP C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000423015308 374366941 /nfs/dbraw/zinc/36/69/41/374366941.db2.gz QTKWNHDJOREASH-BXUZGUMPSA-N 2 1 263.341 1.867 20 5 CDBDMP CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[NH2+]CC1 ZINC000435616536 248177357 /nfs/dbraw/zinc/17/73/57/248177357.db2.gz KUTHKQFVNSAPMB-LBPRGKRZSA-N 2 1 281.360 1.255 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430957441 393107764 /nfs/dbraw/zinc/10/77/64/393107764.db2.gz SJAMNAAGFXHCKV-GFCCVEGCSA-N 2 1 279.340 1.515 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430957441 393107769 /nfs/dbraw/zinc/10/77/69/393107769.db2.gz SJAMNAAGFXHCKV-GFCCVEGCSA-N 2 1 279.340 1.515 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430951550 393107812 /nfs/dbraw/zinc/10/78/12/393107812.db2.gz MEKKXVUJBXGVKD-LBPRGKRZSA-N 2 1 279.340 1.515 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430951550 393107816 /nfs/dbraw/zinc/10/78/16/393107816.db2.gz MEKKXVUJBXGVKD-LBPRGKRZSA-N 2 1 279.340 1.515 20 5 CDBDMP C[C@@H](C[NH3+])C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841049533 733427003 /nfs/dbraw/zinc/42/70/03/733427003.db2.gz TZRWQQHVJFSLAZ-QMMMGPOBSA-N 2 1 257.721 1.933 20 5 CDBDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168966184 927589410 /nfs/dbraw/zinc/58/94/10/927589410.db2.gz GXUFKIIWYPIUSX-XQQFMLRXSA-N 2 1 255.362 1.363 20 5 CDBDMP C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCC([NH3+])CC1 ZINC001168975730 927599457 /nfs/dbraw/zinc/59/94/57/927599457.db2.gz XATMGWMMAUIBPF-XVSSEFHLSA-N 2 1 255.362 1.634 20 5 CDBDMP C[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C[NH3+] ZINC001246543024 948244137 /nfs/dbraw/zinc/24/41/37/948244137.db2.gz RHLCTLFLGLHDER-PSOPSSQASA-N 2 1 275.352 1.589 20 5 CDBDMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001246548906 948256201 /nfs/dbraw/zinc/25/62/01/948256201.db2.gz KSGIIRTVIHOOEA-XQQFMLRXSA-N 2 1 273.352 1.585 20 5 CDBDMP C[C@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001338476877 961823571 /nfs/dbraw/zinc/82/35/71/961823571.db2.gz YALXWBPXLDOXJY-BXUZGUMPSA-N 2 1 281.356 1.558 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000602778734 344594740 /nfs/dbraw/zinc/59/47/40/344594740.db2.gz LAHIDWRAHIMWGJ-CYBMUJFWSA-N 2 1 295.387 1.373 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000602778734 344594744 /nfs/dbraw/zinc/59/47/44/344594744.db2.gz LAHIDWRAHIMWGJ-CYBMUJFWSA-N 2 1 295.387 1.373 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000602778734 344594747 /nfs/dbraw/zinc/59/47/47/344594747.db2.gz LAHIDWRAHIMWGJ-CYBMUJFWSA-N 2 1 295.387 1.373 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000602778734 344594750 /nfs/dbraw/zinc/59/47/50/344594750.db2.gz LAHIDWRAHIMWGJ-CYBMUJFWSA-N 2 1 295.387 1.373 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000351494099 360612177 /nfs/dbraw/zinc/61/21/77/360612177.db2.gz NHUJMMGZRZHHQS-RWMBFGLXSA-N 2 1 291.351 1.643 20 5 CDBDMP C[NH2+]CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000435883373 248205351 /nfs/dbraw/zinc/20/53/51/248205351.db2.gz KEISQRZSPNPODH-NSHDSACASA-N 2 1 279.344 1.086 20 5 CDBDMP C[NH2+]CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000435883373 248205353 /nfs/dbraw/zinc/20/53/53/248205353.db2.gz KEISQRZSPNPODH-NSHDSACASA-N 2 1 279.344 1.086 20 5 CDBDMP [NH3+]C1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342104104 130262608 /nfs/dbraw/zinc/26/26/08/130262608.db2.gz NFHOUCMPXIACCK-UHFFFAOYSA-N 2 1 265.313 1.445 20 5 CDBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000442760600 392492192 /nfs/dbraw/zinc/49/21/92/392492192.db2.gz VDCNFQPASODFGG-NEPJUHHUSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423232138 392960110 /nfs/dbraw/zinc/96/01/10/392960110.db2.gz HNGPYCRAJLXHCP-YPMHNXCESA-N 2 1 263.341 1.867 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261723284 140379865 /nfs/dbraw/zinc/37/98/65/140379865.db2.gz QJCJKLNNTAVSFO-ZLKJLUDKSA-N 2 1 291.351 1.773 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261723284 140379866 /nfs/dbraw/zinc/37/98/66/140379866.db2.gz QJCJKLNNTAVSFO-ZLKJLUDKSA-N 2 1 291.351 1.773 20 5 CDBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271764 148032177 /nfs/dbraw/zinc/03/21/77/148032177.db2.gz NTBGNUWVQWZVCE-ZDUSSCGKSA-N 2 1 295.387 1.455 20 5 CDBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271764 148032182 /nfs/dbraw/zinc/03/21/82/148032182.db2.gz NTBGNUWVQWZVCE-ZDUSSCGKSA-N 2 1 295.387 1.455 20 5 CDBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271764 148032187 /nfs/dbraw/zinc/03/21/87/148032187.db2.gz NTBGNUWVQWZVCE-ZDUSSCGKSA-N 2 1 295.387 1.455 20 5 CDBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271764 148032192 /nfs/dbraw/zinc/03/21/92/148032192.db2.gz NTBGNUWVQWZVCE-ZDUSSCGKSA-N 2 1 295.387 1.455 20 5 CDBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCC[NH+](C)C1 ZINC000176246534 148032354 /nfs/dbraw/zinc/03/23/54/148032354.db2.gz QQQUHSRCULOJKQ-LBPRGKRZSA-N 2 1 281.360 1.065 20 5 CDBDMP C[NH+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCC[N@H+](C)C1 ZINC000176246534 148032358 /nfs/dbraw/zinc/03/23/58/148032358.db2.gz QQQUHSRCULOJKQ-LBPRGKRZSA-N 2 1 281.360 1.065 20 5 CDBDMP C[NH+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000176246534 148032361 /nfs/dbraw/zinc/03/23/61/148032361.db2.gz QQQUHSRCULOJKQ-LBPRGKRZSA-N 2 1 281.360 1.065 20 5 CDBDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000569017840 294143257 /nfs/dbraw/zinc/14/32/57/294143257.db2.gz RZBMAWAXNYAFGF-RYUDHWBXSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000569017840 294143259 /nfs/dbraw/zinc/14/32/59/294143259.db2.gz RZBMAWAXNYAFGF-RYUDHWBXSA-N 2 1 279.340 1.785 20 5 CDBDMP O=[N+]([O-])CCNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000905070756 626616548 /nfs/dbraw/zinc/61/65/48/626616548.db2.gz MJHYEDFGOCOOEI-HNNXBMFYSA-N 2 1 277.368 1.765 20 5 CDBDMP O=[N+]([O-])CC[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000905147361 626658791 /nfs/dbraw/zinc/65/87/91/626658791.db2.gz WAQQZZMOCMFDTH-UHFFFAOYSA-N 2 1 293.367 1.010 20 5 CDBDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925627559 738709367 /nfs/dbraw/zinc/70/93/67/738709367.db2.gz BQYDZJSSYRWVJA-SMDDNHRTSA-N 2 1 263.341 1.867 20 5 CDBDMP C[N@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001167278935 895036145 /nfs/dbraw/zinc/03/61/45/895036145.db2.gz ZCLOLTPAZQIUHE-NSHDSACASA-N 2 1 262.313 1.314 20 5 CDBDMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046728 927665422 /nfs/dbraw/zinc/66/54/22/927665422.db2.gz MIQDLCCBGQKLJV-OLZOCXBDSA-N 2 1 257.378 1.705 20 5 CDBDMP C[C@H](C[NH3+])C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278226 342624158 /nfs/dbraw/zinc/62/41/58/342624158.db2.gz AHMRLBBNUJLAKO-SECBINFHSA-N 2 1 281.312 1.050 20 5 CDBDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000592439030 342693029 /nfs/dbraw/zinc/69/30/29/342693029.db2.gz XVQPFBPCEPVVJG-RKDXNWHRSA-N 2 1 255.293 1.949 20 5 CDBDMP Cc1noc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344351 343043381 /nfs/dbraw/zinc/04/33/81/343043381.db2.gz CKASDRBKUICNJG-RYUDHWBXSA-N 2 1 294.355 1.807 20 5 CDBDMP C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251881279 140313638 /nfs/dbraw/zinc/31/36/38/140313638.db2.gz UVCPZJGTJQGMGS-SMDDNHRTSA-N 2 1 263.341 1.806 20 5 CDBDMP C[NH2+]CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414830343 241408133 /nfs/dbraw/zinc/40/81/33/241408133.db2.gz NXTYQJUXAVTVCK-LLVKDONJSA-N 2 1 251.330 1.725 20 5 CDBDMP [NH3+][C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414892491 371032768 /nfs/dbraw/zinc/03/27/68/371032768.db2.gz JFXZOUAKDKYQLN-DXTPNHAXSA-N 2 1 261.325 1.935 20 5 CDBDMP C[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375663 374379514 /nfs/dbraw/zinc/37/95/14/374379514.db2.gz UPIJGKQEYAGNMB-GWCFXTLKSA-N 2 1 263.341 1.853 20 5 CDBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH3+] ZINC000430602904 393102950 /nfs/dbraw/zinc/10/29/50/393102950.db2.gz XCGIPLHGTXQLHI-UHFFFAOYSA-N 2 1 281.356 1.890 20 5 CDBDMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430967775 393107963 /nfs/dbraw/zinc/10/79/63/393107963.db2.gz UQTHKUNOJZCGHF-NSHDSACASA-N 2 1 292.339 1.204 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261723275 140379814 /nfs/dbraw/zinc/37/98/14/140379814.db2.gz QJCJKLNNTAVSFO-GDLCADMTSA-N 2 1 291.351 1.773 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261723275 140379815 /nfs/dbraw/zinc/37/98/15/140379815.db2.gz QJCJKLNNTAVSFO-GDLCADMTSA-N 2 1 291.351 1.773 20 5 CDBDMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000923518664 739890310 /nfs/dbraw/zinc/89/03/10/739890310.db2.gz LUVBXTRIBJGNQB-UONOGXRCSA-N 2 1 275.352 1.945 20 5 CDBDMP Cc1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000923518664 739890314 /nfs/dbraw/zinc/89/03/14/739890314.db2.gz LUVBXTRIBJGNQB-UONOGXRCSA-N 2 1 275.352 1.945 20 5 CDBDMP CC(=O)O[C@H]1C[C@@H]2C[C@H](OCCC[N+](C)(C)C)C[C@H]1[N@H+]2C ZINC001224621029 941777033 /nfs/dbraw/zinc/77/70/33/941777033.db2.gz INCYMQKYQXYMET-JONQDZQNSA-N 2 1 299.435 1.266 20 5 CDBDMP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001353272441 967843918 /nfs/dbraw/zinc/84/39/18/967843918.db2.gz IKQDIKAMGRUMOE-OAHLLOKOSA-N 2 1 295.383 1.948 20 5 CDBDMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001353272441 967843931 /nfs/dbraw/zinc/84/39/31/967843931.db2.gz IKQDIKAMGRUMOE-OAHLLOKOSA-N 2 1 295.383 1.948 20 5 CDBDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581499 969436263 /nfs/dbraw/zinc/43/62/63/969436263.db2.gz ARUOPYCGXPLHLE-IUODEOHRSA-N 2 1 293.367 1.560 20 5 CDBDMP C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC001578469229 1171928420 /nfs/dbraw/zinc/92/84/20/1171928420.db2.gz MBEUYNZKBIESJD-UHFFFAOYSA-N 2 1 279.340 1.785 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422719422 245174900 /nfs/dbraw/zinc/17/49/00/245174900.db2.gz RDDGMNLUCILLRW-GWCFXTLKSA-N 2 1 279.340 1.820 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422722665 245180372 /nfs/dbraw/zinc/18/03/72/245180372.db2.gz YKSPKDMEDKZGMG-VHSXEESVSA-N 2 1 267.329 1.819 20 5 CDBDMP COc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414946669 371139180 /nfs/dbraw/zinc/13/91/80/371139180.db2.gz USBBMANJXKLDIN-UHFFFAOYSA-N 2 1 279.340 1.835 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423507178 374385807 /nfs/dbraw/zinc/38/58/07/374385807.db2.gz HTFBPFRNYOUJMQ-GXTWGEPZSA-N 2 1 292.383 1.019 20 5 CDBDMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235844 392960599 /nfs/dbraw/zinc/96/05/99/392960599.db2.gz BLIFJWMSVHRWFY-VXGBXAGGSA-N 2 1 281.360 1.474 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000261783232 140389155 /nfs/dbraw/zinc/38/91/55/140389155.db2.gz PVDCFLRLJCWKJO-NWANDNLSSA-N 2 1 275.352 1.806 20 5 CDBDMP CC[N+](C)(C)Cc1ccccc1-n1cnc(C[NH3+])cc1=N ZINC001167358630 1158637179 /nfs/dbraw/zinc/63/71/79/1158637179.db2.gz XMWSIXXTXTXQRZ-UHFFFAOYSA-N 2 1 286.403 1.407 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967482 1161996126 /nfs/dbraw/zinc/99/61/26/1161996126.db2.gz PXOPHVBJYAADTL-NWDGAFQWSA-N 2 1 252.318 1.227 20 5 CDBDMP [NH3+][C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899199 912036558 /nfs/dbraw/zinc/03/65/58/912036558.db2.gz MDFGHOARLAVYQG-KBPBESRZSA-N 2 1 275.352 1.875 20 5 CDBDMP [NH3+][C@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899199 912036565 /nfs/dbraw/zinc/03/65/65/912036565.db2.gz MDFGHOARLAVYQG-KBPBESRZSA-N 2 1 275.352 1.875 20 5 CDBDMP CC[N+](C)(C)Cc1ccccc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168761137 923213468 /nfs/dbraw/zinc/21/34/68/923213468.db2.gz KEORENAPAWDHNH-UHFFFAOYSA-O 2 1 276.364 1.028 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)C2 ZINC001246089414 947939135 /nfs/dbraw/zinc/93/91/35/947939135.db2.gz DWKWAIGAGCZCRJ-UONOGXRCSA-N 2 1 275.352 1.794 20 5 CDBDMP CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577672192 1171716943 /nfs/dbraw/zinc/71/69/43/1171716943.db2.gz UWJBAWKDNAYVIT-HNNXBMFYSA-N 2 1 293.367 1.702 20 5 CDBDMP CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577672192 1171716948 /nfs/dbraw/zinc/71/69/48/1171716948.db2.gz UWJBAWKDNAYVIT-HNNXBMFYSA-N 2 1 293.367 1.702 20 5 CDBDMP [NH3+]CCOCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420352798 244127516 /nfs/dbraw/zinc/12/75/16/244127516.db2.gz ATLRAPQPMIOMHW-UHFFFAOYSA-N 2 1 279.340 1.535 20 5 CDBDMP [NH3+]C1(C[NH2+]CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000342125342 130283076 /nfs/dbraw/zinc/28/30/76/130283076.db2.gz DNXDYGSMGFLTBR-UHFFFAOYSA-N 2 1 265.313 1.445 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423286173 392961268 /nfs/dbraw/zinc/96/12/68/392961268.db2.gz ZTSJUMKNSHMAGU-GWCFXTLKSA-N 2 1 263.341 1.853 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000261660834 140370559 /nfs/dbraw/zinc/37/05/59/140370559.db2.gz ZEBYJHSQLAOUSM-IACUBPJLSA-N 2 1 261.325 1.764 20 5 CDBDMP [NH3+]CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCCC1 ZINC000352507806 303377948 /nfs/dbraw/zinc/37/79/48/303377948.db2.gz DEEWVSLBBFXTFG-UHFFFAOYSA-N 2 1 295.387 1.632 20 5 CDBDMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817943185 749882035 /nfs/dbraw/zinc/88/20/35/749882035.db2.gz KRJAWIVSZZFPQN-JTQLQIEISA-N 2 1 266.345 1.827 20 5 CDBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]21 ZINC000886832937 752835730 /nfs/dbraw/zinc/83/57/30/752835730.db2.gz PVDZPDHAIMNHGY-RAIGVLPGSA-N 2 1 276.340 1.549 20 5 CDBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]21 ZINC000886832937 752835731 /nfs/dbraw/zinc/83/57/31/752835731.db2.gz PVDZPDHAIMNHGY-RAIGVLPGSA-N 2 1 276.340 1.549 20 5 CDBDMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968147 927592311 /nfs/dbraw/zinc/59/23/11/927592311.db2.gz WQDHTECYIXUZBT-WCQYABFASA-N 2 1 255.362 1.506 20 5 CDBDMP N[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001246592811 932016561 /nfs/dbraw/zinc/01/65/61/932016561.db2.gz WAUKDOUWNQQOGO-IRCOFANPSA-N 2 1 259.325 1.193 20 5 CDBDMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001246592811 932016570 /nfs/dbraw/zinc/01/65/70/932016570.db2.gz WAUKDOUWNQQOGO-IRCOFANPSA-N 2 1 259.325 1.193 20 5 CDBDMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001246592811 932016579 /nfs/dbraw/zinc/01/65/79/932016579.db2.gz WAUKDOUWNQQOGO-IRCOFANPSA-N 2 1 259.325 1.193 20 5 CDBDMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000401735959 342643680 /nfs/dbraw/zinc/64/36/80/342643680.db2.gz YICMSLIUCDZPKJ-UHFFFAOYSA-N 2 1 260.297 1.661 20 5 CDBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOCC[NH3+] ZINC000600771701 342248859 /nfs/dbraw/zinc/24/88/59/342248859.db2.gz AFZKNPFGYQIAND-XQRVVYSFSA-N 2 1 279.340 1.515 20 5 CDBDMP Cc1ccc(C[NH2+]CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000034994824 364502940 /nfs/dbraw/zinc/50/29/40/364502940.db2.gz BVMDDVGJXPFLIM-UHFFFAOYSA-N 2 1 251.330 1.945 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420362086 244145011 /nfs/dbraw/zinc/14/50/11/244145011.db2.gz YWZRNKUXVNYNSC-PWSUYJOCSA-N 2 1 267.329 1.216 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420362086 244145013 /nfs/dbraw/zinc/14/50/13/244145013.db2.gz YWZRNKUXVNYNSC-PWSUYJOCSA-N 2 1 267.329 1.216 20 5 CDBDMP CC(C)[NH+]1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330887032 203353678 /nfs/dbraw/zinc/35/36/78/203353678.db2.gz SHBGYEXTQYTJLE-UHFFFAOYSA-N 2 1 295.387 1.596 20 5 CDBDMP CC(C)[NH+]1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330887032 203353680 /nfs/dbraw/zinc/35/36/80/203353680.db2.gz SHBGYEXTQYTJLE-UHFFFAOYSA-N 2 1 295.387 1.596 20 5 CDBDMP C[NH+](C)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372961490 374458123 /nfs/dbraw/zinc/45/81/23/374458123.db2.gz SGONQPNNZKZQQT-GFCCVEGCSA-N 2 1 281.360 1.207 20 5 CDBDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372961490 374458129 /nfs/dbraw/zinc/45/81/29/374458129.db2.gz SGONQPNNZKZQQT-GFCCVEGCSA-N 2 1 281.360 1.207 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449243590 390821978 /nfs/dbraw/zinc/82/19/78/390821978.db2.gz LWHCOSQRDKBWLE-WFASDCNBSA-N 2 1 293.367 1.182 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449243590 390821981 /nfs/dbraw/zinc/82/19/81/390821981.db2.gz LWHCOSQRDKBWLE-WFASDCNBSA-N 2 1 293.367 1.182 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149596 1171646533 /nfs/dbraw/zinc/64/65/33/1171646533.db2.gz LSZCDQIPFIQCNX-LBPRGKRZSA-N 2 1 281.360 1.303 20 5 CDBDMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817964784 754426858 /nfs/dbraw/zinc/42/68/58/754426858.db2.gz INIINMURRMVZRW-SECBINFHSA-N 2 1 264.329 1.709 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285196 755699772 /nfs/dbraw/zinc/69/97/72/755699772.db2.gz AJJDYFHMDQDKDY-RISCZKNCSA-N 2 1 279.340 1.170 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285196 755699774 /nfs/dbraw/zinc/69/97/74/755699774.db2.gz AJJDYFHMDQDKDY-RISCZKNCSA-N 2 1 279.340 1.170 20 5 CDBDMP [NH3+]CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172900361 912039472 /nfs/dbraw/zinc/03/94/72/912039472.db2.gz CXCZMHMIJGNSKA-ZDUSSCGKSA-N 2 1 275.352 1.923 20 5 CDBDMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034528 927642377 /nfs/dbraw/zinc/64/23/77/927642377.db2.gz HILGDYDOGMJRQV-TZMCWYRMSA-N 2 1 269.389 1.848 20 5 CDBDMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034528 927642383 /nfs/dbraw/zinc/64/23/83/927642383.db2.gz HILGDYDOGMJRQV-TZMCWYRMSA-N 2 1 269.389 1.848 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001169019020 927660006 /nfs/dbraw/zinc/66/00/06/927660006.db2.gz GEGJZZQUFIUJCB-GJZGRUSLSA-N 2 1 293.411 1.850 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001169019020 927660010 /nfs/dbraw/zinc/66/00/10/927660010.db2.gz GEGJZZQUFIUJCB-GJZGRUSLSA-N 2 1 293.411 1.850 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571721 947531001 /nfs/dbraw/zinc/53/10/01/947531001.db2.gz AUZNLQZZPBPRRO-AWEZNQCLSA-N 2 1 286.335 1.857 20 5 CDBDMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246582483 948312867 /nfs/dbraw/zinc/31/28/67/948312867.db2.gz MYNAPNRARFMTSZ-FRRDWIJNSA-N 2 1 255.362 1.493 20 5 CDBDMP C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1CC[NH3+] ZINC000593730809 342830205 /nfs/dbraw/zinc/83/02/05/342830205.db2.gz HHQJASITFUEGBU-VXGBXAGGSA-N 2 1 281.360 1.241 20 5 CDBDMP C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1CC[NH3+] ZINC000593733974 342830696 /nfs/dbraw/zinc/83/06/96/342830696.db2.gz PPURBMXHFYJSHS-YPMHNXCESA-N 2 1 281.360 1.241 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090537989 342396308 /nfs/dbraw/zinc/39/63/08/342396308.db2.gz AMQVMKGKBOFWSF-NWDGAFQWSA-N 2 1 279.344 1.008 20 5 CDBDMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420354957 244133303 /nfs/dbraw/zinc/13/33/03/244133303.db2.gz DRROPLAFWWCILZ-ZDUSSCGKSA-N 2 1 281.356 1.937 20 5 CDBDMP C[C@@H](C[NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414872403 370964033 /nfs/dbraw/zinc/96/40/33/370964033.db2.gz FYIBEYYWWOXJPC-QMMMGPOBSA-N 2 1 257.721 1.933 20 5 CDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+](C)C ZINC000154393000 374700100 /nfs/dbraw/zinc/70/01/00/374700100.db2.gz MPPDUWPLIJBVGR-JSGCOSHPSA-N 2 1 295.383 1.428 20 5 CDBDMP CC(C)[N@@H+](CCOCC[NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000357094351 375884166 /nfs/dbraw/zinc/88/41/66/375884166.db2.gz ZKBGIJQFOAARRG-UHFFFAOYSA-N 2 1 281.356 1.781 20 5 CDBDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000358114225 375952156 /nfs/dbraw/zinc/95/21/56/375952156.db2.gz FVCPUXXGOYWNHZ-CSPWOOARSA-N 2 1 291.351 1.264 20 5 CDBDMP C[N@H+]1CC[C@@](O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000358114225 375952163 /nfs/dbraw/zinc/95/21/63/375952163.db2.gz FVCPUXXGOYWNHZ-CSPWOOARSA-N 2 1 291.351 1.264 20 5 CDBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415068796 391254079 /nfs/dbraw/zinc/25/40/79/391254079.db2.gz WMKRCZVEHOCRDN-WKVNLHPKSA-N 2 1 259.309 1.415 20 5 CDBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000442760604 392492565 /nfs/dbraw/zinc/49/25/65/392492565.db2.gz VDCNFQPASODFGG-NWDGAFQWSA-N 2 1 279.340 1.643 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261798587 140389995 /nfs/dbraw/zinc/38/99/95/140389995.db2.gz RCNSUXKFVNWNBJ-KBPBESRZSA-N 2 1 275.352 1.679 20 5 CDBDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433708 523857955 /nfs/dbraw/zinc/85/79/55/523857955.db2.gz XHMMKNUWTPAYNT-AWEZNQCLSA-N 2 1 293.371 1.209 20 5 CDBDMP C[N@H+]1CCC[C@]2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433708 523857959 /nfs/dbraw/zinc/85/79/59/523857959.db2.gz XHMMKNUWTPAYNT-AWEZNQCLSA-N 2 1 293.371 1.209 20 5 CDBDMP C[NH+]1CCC[C@]2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433708 523857965 /nfs/dbraw/zinc/85/79/65/523857965.db2.gz XHMMKNUWTPAYNT-AWEZNQCLSA-N 2 1 293.371 1.209 20 5 CDBDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433708 523857969 /nfs/dbraw/zinc/85/79/69/523857969.db2.gz XHMMKNUWTPAYNT-AWEZNQCLSA-N 2 1 293.371 1.209 20 5 CDBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000873105676 768895417 /nfs/dbraw/zinc/89/54/17/768895417.db2.gz ALOVQZBAGKDPQV-OAHLLOKOSA-N 2 1 293.367 1.368 20 5 CDBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000873105676 768895418 /nfs/dbraw/zinc/89/54/18/768895418.db2.gz ALOVQZBAGKDPQV-OAHLLOKOSA-N 2 1 293.367 1.368 20 5 CDBDMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817936868 772000560 /nfs/dbraw/zinc/00/05/60/772000560.db2.gz RXCFDCUTUFYRAY-SECBINFHSA-N 2 1 264.329 1.580 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001168977411 927562948 /nfs/dbraw/zinc/56/29/48/927562948.db2.gz JKGZHJGTSVCNRP-DGCLKSJQSA-N 2 1 267.373 1.648 20 5 CDBDMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007618 927611306 /nfs/dbraw/zinc/61/13/06/927611306.db2.gz OQTGUCKAELVGOV-WDEREUQCSA-N 2 1 252.318 1.392 20 5 CDBDMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859297 948485791 /nfs/dbraw/zinc/48/57/91/948485791.db2.gz JIMOVCDLYLWLNP-QEJZJMRPSA-N 2 1 273.336 1.485 20 5 CDBDMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246870889 948496259 /nfs/dbraw/zinc/49/62/59/948496259.db2.gz PRUDTHSXKJBOKV-DZKIICNBSA-N 2 1 287.363 1.875 20 5 CDBDMP [NH3+][C@]12C[C@H]1C[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246870889 948496261 /nfs/dbraw/zinc/49/62/61/948496261.db2.gz PRUDTHSXKJBOKV-DZKIICNBSA-N 2 1 287.363 1.875 20 5 CDBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOCC[NH3+] ZINC000600771700 342248920 /nfs/dbraw/zinc/24/89/20/342248920.db2.gz AFZKNPFGYQIAND-GQCTYLIASA-N 2 1 279.340 1.515 20 5 CDBDMP CCC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305685 392960030 /nfs/dbraw/zinc/96/00/30/392960030.db2.gz CENCZBIFWHTYQM-CHWSQXEVSA-N 2 1 295.387 1.864 20 5 CDBDMP CCOc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000423307400 392961051 /nfs/dbraw/zinc/96/10/51/392961051.db2.gz VXMHUKHGUGGLGE-SNVBAGLBSA-N 2 1 279.340 1.864 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261798591 140390033 /nfs/dbraw/zinc/39/00/33/140390033.db2.gz RCNSUXKFVNWNBJ-KGLIPLIRSA-N 2 1 275.352 1.679 20 5 CDBDMP CC(C)([NH3+])CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000903938477 626156598 /nfs/dbraw/zinc/15/65/98/626156598.db2.gz DJDHKABKWUPDEN-UHFFFAOYSA-N 2 1 255.293 1.951 20 5 CDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516178 776362609 /nfs/dbraw/zinc/36/26/09/776362609.db2.gz UDQLTMSVMWAYPU-GUTXKFCHSA-N 2 1 291.351 1.170 20 5 CDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516178 776362622 /nfs/dbraw/zinc/36/26/22/776362622.db2.gz UDQLTMSVMWAYPU-GUTXKFCHSA-N 2 1 291.351 1.170 20 5 CDBDMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131601254 776945743 /nfs/dbraw/zinc/94/57/43/776945743.db2.gz SVACIUJHKBHBGW-JQWIXIFHSA-N 2 1 279.340 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131601254 776945757 /nfs/dbraw/zinc/94/57/57/776945757.db2.gz SVACIUJHKBHBGW-JQWIXIFHSA-N 2 1 279.340 1.773 20 5 CDBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000923481807 779194841 /nfs/dbraw/zinc/19/48/41/779194841.db2.gz MAKDFMRCIRFRRZ-JTQLQIEISA-N 2 1 290.323 1.907 20 5 CDBDMP CN1CCc2c(N[C@H]3CC[N@@H+](C)C3)ccc([N+](=O)[O-])c2C1 ZINC001167281210 895052121 /nfs/dbraw/zinc/05/21/21/895052121.db2.gz OLKDZAXCGVNWBD-NSHDSACASA-N 2 1 290.367 1.699 20 5 CDBDMP C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3c2CC[NH+](C)C3)C1 ZINC001167281210 895052138 /nfs/dbraw/zinc/05/21/38/895052138.db2.gz OLKDZAXCGVNWBD-NSHDSACASA-N 2 1 290.367 1.699 20 5 CDBDMP C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3c2CC[NH+](C)C3)C1 ZINC001167281210 895052155 /nfs/dbraw/zinc/05/21/55/895052155.db2.gz OLKDZAXCGVNWBD-NSHDSACASA-N 2 1 290.367 1.699 20 5 CDBDMP C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C1 ZINC001167281210 895052171 /nfs/dbraw/zinc/05/21/71/895052171.db2.gz OLKDZAXCGVNWBD-NSHDSACASA-N 2 1 290.367 1.699 20 5 CDBDMP C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C1 ZINC001167281210 895052186 /nfs/dbraw/zinc/05/21/86/895052186.db2.gz OLKDZAXCGVNWBD-NSHDSACASA-N 2 1 290.367 1.699 20 5 CDBDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977730 927563893 /nfs/dbraw/zinc/56/38/93/927563893.db2.gz LNOZFJIUOXHAQI-CRWXNKLISA-N 2 1 269.389 1.894 20 5 CDBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601081 947550747 /nfs/dbraw/zinc/55/07/47/947550747.db2.gz YPIPJHFHVRMTLN-WPGHFRTFSA-N 2 1 289.379 1.992 20 5 CDBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601081 947550751 /nfs/dbraw/zinc/55/07/51/947550751.db2.gz YPIPJHFHVRMTLN-WPGHFRTFSA-N 2 1 289.379 1.992 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000124623909 342065478 /nfs/dbraw/zinc/06/54/78/342065478.db2.gz GZHVSWXGLBPOAC-DGCLKSJQSA-N 2 1 263.341 1.949 20 5 CDBDMP COc1cc(C[NH2+][C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000414876324 370965011 /nfs/dbraw/zinc/96/50/11/370965011.db2.gz DDNMZCBBKOTWDZ-SECBINFHSA-N 2 1 283.328 1.439 20 5 CDBDMP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414920659 371097345 /nfs/dbraw/zinc/09/73/45/371097345.db2.gz YIUCSPWBXKDUMZ-GFCCVEGCSA-N 2 1 279.340 1.835 20 5 CDBDMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423445111 374381054 /nfs/dbraw/zinc/38/10/54/374381054.db2.gz XKVPKAODGHLTQX-RQJABVFESA-N 2 1 261.325 1.853 20 5 CDBDMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000353367553 375600698 /nfs/dbraw/zinc/60/06/98/375600698.db2.gz ZYOLDIUVQKVHCS-UHFFFAOYSA-N 2 1 293.367 1.483 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000261783231 140389032 /nfs/dbraw/zinc/38/90/32/140389032.db2.gz PVDCFLRLJCWKJO-BPLDGKMQSA-N 2 1 275.352 1.806 20 5 CDBDMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925630339 781402528 /nfs/dbraw/zinc/40/25/28/781402528.db2.gz RFMTWYRUUZCQMP-ZDUSSCGKSA-N 2 1 263.341 1.867 20 5 CDBDMP [NH3+]CCCOC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886830233 783360268 /nfs/dbraw/zinc/36/02/68/783360268.db2.gz NYIZFSZQWUJTCG-UHFFFAOYSA-N 2 1 294.355 1.320 20 5 CDBDMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034525 927640263 /nfs/dbraw/zinc/64/02/63/927640263.db2.gz HILGDYDOGMJRQV-GXTWGEPZSA-N 2 1 269.389 1.848 20 5 CDBDMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034525 927640266 /nfs/dbraw/zinc/64/02/66/927640266.db2.gz HILGDYDOGMJRQV-GXTWGEPZSA-N 2 1 269.389 1.848 20 5 CDBDMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000401803923 342831647 /nfs/dbraw/zinc/83/16/47/342831647.db2.gz OYZUCIOYIVZYDZ-UHFFFAOYSA-N 2 1 290.323 1.669 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360551179 357446634 /nfs/dbraw/zinc/44/66/34/357446634.db2.gz KRLFYLKBSNRJMI-HNNXBMFYSA-N 2 1 291.351 1.659 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360551179 357446635 /nfs/dbraw/zinc/44/66/35/357446635.db2.gz KRLFYLKBSNRJMI-HNNXBMFYSA-N 2 1 291.351 1.659 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357090201 375883466 /nfs/dbraw/zinc/88/34/66/375883466.db2.gz ZWTACKXNDVMEPD-CHWSQXEVSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357090201 375883475 /nfs/dbraw/zinc/88/34/75/375883475.db2.gz ZWTACKXNDVMEPD-CHWSQXEVSA-N 2 1 291.351 1.515 20 5 CDBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000442771951 392494016 /nfs/dbraw/zinc/49/40/16/392494016.db2.gz UGNZIXDRSWRSMZ-VXGBXAGGSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000252728171 392680717 /nfs/dbraw/zinc/68/07/17/392680717.db2.gz AEIMTPRJZZFPLZ-IUODEOHRSA-N 2 1 293.367 1.903 20 5 CDBDMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235841 276266536 /nfs/dbraw/zinc/26/65/36/276266536.db2.gz BLIFJWMSVHRWFY-NEPJUHHUSA-N 2 1 281.360 1.474 20 5 CDBDMP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000583636120 325213519 /nfs/dbraw/zinc/21/35/19/325213519.db2.gz JOZREXLJZVIWQC-SMDDNHRTSA-N 2 1 281.356 1.524 20 5 CDBDMP C[N@H+](CCOCC[NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699202156 913559595 /nfs/dbraw/zinc/55/95/95/913559595.db2.gz AUHOZQQWSIYFIT-UHFFFAOYSA-N 2 1 287.747 1.655 20 5 CDBDMP C[N@@H+](CCOCC[NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699202156 913559613 /nfs/dbraw/zinc/55/96/13/913559613.db2.gz AUHOZQQWSIYFIT-UHFFFAOYSA-N 2 1 287.747 1.655 20 5 CDBDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923288499 923709776 /nfs/dbraw/zinc/70/97/76/923709776.db2.gz KPBXPEBHSWLQSU-NJZAAPMLSA-N 2 1 293.367 1.687 20 5 CDBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923288499 923709782 /nfs/dbraw/zinc/70/97/82/923709782.db2.gz KPBXPEBHSWLQSU-NJZAAPMLSA-N 2 1 293.367 1.687 20 5 CDBDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168966479 927588943 /nfs/dbraw/zinc/58/89/43/927588943.db2.gz ILMXFZMFLARMKN-YHQUGGNUSA-N 2 1 267.373 1.647 20 5 CDBDMP C[C@@H](C[NH3+])C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278227 342624134 /nfs/dbraw/zinc/62/41/34/342624134.db2.gz AHMRLBBNUJLAKO-VIFPVBQESA-N 2 1 281.312 1.050 20 5 CDBDMP C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000420401805 244202958 /nfs/dbraw/zinc/20/29/58/244202958.db2.gz JNARYCDNUHEBHF-CHWSQXEVSA-N 2 1 293.367 1.890 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347074557 373290308 /nfs/dbraw/zinc/29/03/08/373290308.db2.gz SYFPWQUUHUZKFI-GFCCVEGCSA-N 2 1 263.341 1.945 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347074557 373290314 /nfs/dbraw/zinc/29/03/14/373290314.db2.gz SYFPWQUUHUZKFI-GFCCVEGCSA-N 2 1 263.341 1.945 20 5 CDBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330965004 374876884 /nfs/dbraw/zinc/87/68/84/374876884.db2.gz AIGOWOWGQUPREY-QWHCGFSZSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330965004 374876890 /nfs/dbraw/zinc/87/68/90/374876890.db2.gz AIGOWOWGQUPREY-QWHCGFSZSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330965004 374876892 /nfs/dbraw/zinc/87/68/92/374876892.db2.gz AIGOWOWGQUPREY-QWHCGFSZSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330965004 374876897 /nfs/dbraw/zinc/87/68/97/374876897.db2.gz AIGOWOWGQUPREY-QWHCGFSZSA-N 2 1 295.387 1.596 20 5 CDBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415068793 391253902 /nfs/dbraw/zinc/25/39/02/391253902.db2.gz WMKRCZVEHOCRDN-MIQSYHDOSA-N 2 1 259.309 1.415 20 5 CDBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+](C)C ZINC000866262559 1164760999 /nfs/dbraw/zinc/76/09/99/1164760999.db2.gz BUYNROVAJDFDOS-GWCFXTLKSA-N 2 1 299.346 1.177 20 5 CDBDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923288497 784810278 /nfs/dbraw/zinc/81/02/78/784810278.db2.gz KPBXPEBHSWLQSU-CORIIIEPSA-N 2 1 293.367 1.687 20 5 CDBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923288497 784810282 /nfs/dbraw/zinc/81/02/82/784810282.db2.gz KPBXPEBHSWLQSU-CORIIIEPSA-N 2 1 293.367 1.687 20 5 CDBDMP COCC[N@@H+](C)CCCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000787728522 788810403 /nfs/dbraw/zinc/81/04/03/788810403.db2.gz FVJARSURYWJBKM-UHFFFAOYSA-N 2 1 287.404 1.334 20 5 CDBDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925627557 789847838 /nfs/dbraw/zinc/84/78/38/789847838.db2.gz BQYDZJSSYRWVJA-FZMZJTMJSA-N 2 1 263.341 1.867 20 5 CDBDMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843351495 937141011 /nfs/dbraw/zinc/14/10/11/937141011.db2.gz YAJXZSAOFKISTI-UHFFFAOYSA-N 2 1 298.318 1.343 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001169052549 927670128 /nfs/dbraw/zinc/67/01/28/927670128.db2.gz HEJGJPQYISKVFO-GXTWGEPZSA-N 2 1 267.373 1.602 20 5 CDBDMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246553354 948258945 /nfs/dbraw/zinc/25/89/45/948258945.db2.gz AYVJIPPKKRGYTI-GMTAPVOTSA-N 2 1 277.315 1.348 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246613380 948346434 /nfs/dbraw/zinc/34/64/34/948346434.db2.gz YUPLQXTWMPYNLY-HZSPNIEDSA-N 2 1 267.373 1.650 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246930247 948524091 /nfs/dbraw/zinc/52/40/91/948524091.db2.gz IJMIEQDFVXUHPS-MQYQWHSLSA-N 2 1 267.373 1.363 20 5 CDBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000351861971 370425151 /nfs/dbraw/zinc/42/51/51/370425151.db2.gz MRJQEXLEAVDGTE-NWDGAFQWSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000422633546 245144144 /nfs/dbraw/zinc/14/41/44/245144144.db2.gz ILWNRCCFAGBVMT-GRYCIOLGSA-N 2 1 281.360 1.097 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423232137 392960891 /nfs/dbraw/zinc/96/08/91/392960891.db2.gz HNGPYCRAJLXHCP-WCQYABFASA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c([N+](=O)[O-])cnn1C ZINC000894494566 618921928 /nfs/dbraw/zinc/92/19/28/618921928.db2.gz GOVCNSPNLOORJP-NSHDSACASA-N 2 1 298.391 1.012 20 5 CDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c([N+](=O)[O-])cnn1C ZINC000894494566 618921932 /nfs/dbraw/zinc/92/19/32/618921932.db2.gz GOVCNSPNLOORJP-NSHDSACASA-N 2 1 298.391 1.012 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000886872508 794294763 /nfs/dbraw/zinc/29/47/63/794294763.db2.gz UKOKILWBMFVUGT-CQSZACIVSA-N 2 1 293.371 1.257 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000886872508 794294776 /nfs/dbraw/zinc/29/47/76/794294776.db2.gz UKOKILWBMFVUGT-CQSZACIVSA-N 2 1 293.371 1.257 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001168977412 927563466 /nfs/dbraw/zinc/56/34/66/927563466.db2.gz JKGZHJGTSVCNRP-WCQYABFASA-N 2 1 267.373 1.648 20 5 CDBDMP Cc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160508241 938791594 /nfs/dbraw/zinc/79/15/94/938791594.db2.gz FCNGNFPNZGYUAU-AWEZNQCLSA-N 2 1 291.355 1.133 20 5 CDBDMP C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001337776691 961417242 /nfs/dbraw/zinc/41/72/42/961417242.db2.gz CXBBBMYJWAEYST-UKRRQHHQSA-N 2 1 277.368 1.763 20 5 CDBDMP C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001337776691 961417257 /nfs/dbraw/zinc/41/72/57/961417257.db2.gz CXBBBMYJWAEYST-UKRRQHHQSA-N 2 1 277.368 1.763 20 5 CDBDMP C[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726448 342829358 /nfs/dbraw/zinc/82/93/58/342829358.db2.gz HZERAIGWLOXVOX-ZYHUDNBSSA-N 2 1 279.340 1.717 20 5 CDBDMP C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726448 342829360 /nfs/dbraw/zinc/82/93/60/342829360.db2.gz HZERAIGWLOXVOX-ZYHUDNBSSA-N 2 1 279.340 1.717 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937277 359681113 /nfs/dbraw/zinc/68/11/13/359681113.db2.gz QPMOIJUNJLCNIU-VXGBXAGGSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937277 359681114 /nfs/dbraw/zinc/68/11/14/359681114.db2.gz QPMOIJUNJLCNIU-VXGBXAGGSA-N 2 1 279.340 1.785 20 5 CDBDMP [NH3+]C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000420355218 244132972 /nfs/dbraw/zinc/13/29/72/244132972.db2.gz BWLFTOWZSBXOAC-CYBMUJFWSA-N 2 1 281.360 1.289 20 5 CDBDMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000113513609 374260759 /nfs/dbraw/zinc/26/07/59/374260759.db2.gz ADNBJJOMCMWTHQ-ZDUSSCGKSA-N 2 1 293.367 1.857 20 5 CDBDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000113513609 374260768 /nfs/dbraw/zinc/26/07/68/374260768.db2.gz ADNBJJOMCMWTHQ-ZDUSSCGKSA-N 2 1 293.367 1.857 20 5 CDBDMP C[N@@H+]1C[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000193628655 375881709 /nfs/dbraw/zinc/88/17/09/375881709.db2.gz DJQFVKRGKQQVIP-OKILXGFUSA-N 2 1 275.352 1.631 20 5 CDBDMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193628655 375881711 /nfs/dbraw/zinc/88/17/11/375881711.db2.gz DJQFVKRGKQQVIP-OKILXGFUSA-N 2 1 275.352 1.631 20 5 CDBDMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193628655 375881721 /nfs/dbraw/zinc/88/17/21/375881721.db2.gz DJQFVKRGKQQVIP-OKILXGFUSA-N 2 1 275.352 1.631 20 5 CDBDMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193628655 375881726 /nfs/dbraw/zinc/88/17/26/375881726.db2.gz DJQFVKRGKQQVIP-OKILXGFUSA-N 2 1 275.352 1.631 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261672354 140373187 /nfs/dbraw/zinc/37/31/87/140373187.db2.gz GBISHFORPGRNQS-UKRRQHHQSA-N 2 1 275.352 1.821 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261672354 140373188 /nfs/dbraw/zinc/37/31/88/140373188.db2.gz GBISHFORPGRNQS-UKRRQHHQSA-N 2 1 275.352 1.821 20 5 CDBDMP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000582965643 325079686 /nfs/dbraw/zinc/07/96/86/325079686.db2.gz UGARTLALVHCYDT-VHSXEESVSA-N 2 1 297.355 1.827 20 5 CDBDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580371920 1172416364 /nfs/dbraw/zinc/41/63/64/1172416364.db2.gz BSNIIJCWPWDBAT-MCIONIFRSA-N 2 1 279.340 1.488 20 5 CDBDMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817984093 930659208 /nfs/dbraw/zinc/65/92/08/930659208.db2.gz MUUHHGJTBATNGV-SNVBAGLBSA-N 2 1 278.356 1.970 20 5 CDBDMP C[N+](C)(C)CCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224771298 941790399 /nfs/dbraw/zinc/79/03/99/941790399.db2.gz IVODJIMJWAMUNW-INIZCTEOSA-N 2 1 263.405 1.984 20 5 CDBDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246447280 948178734 /nfs/dbraw/zinc/17/87/34/948178734.db2.gz VLEZAJJCMAXUQB-HZMBPMFUSA-N 2 1 291.351 1.486 20 5 CDBDMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246582485 948313829 /nfs/dbraw/zinc/31/38/29/948313829.db2.gz MYNAPNRARFMTSZ-RWMBFGLXSA-N 2 1 255.362 1.493 20 5 CDBDMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246870891 948495117 /nfs/dbraw/zinc/49/51/17/948495117.db2.gz PRUDTHSXKJBOKV-LZWOXQAQSA-N 2 1 287.363 1.875 20 5 CDBDMP [NH3+][C@]12C[C@H]1C[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246870891 948495121 /nfs/dbraw/zinc/49/51/21/948495121.db2.gz PRUDTHSXKJBOKV-LZWOXQAQSA-N 2 1 287.363 1.875 20 5 CDBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC001356570553 969432033 /nfs/dbraw/zinc/43/20/33/969432033.db2.gz MTHKQLZDBDBAHI-UHFFFAOYSA-N 2 1 265.357 1.893 20 5 CDBDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592438934 342693040 /nfs/dbraw/zinc/69/30/40/342693040.db2.gz WGGFWWKBEVAOQN-NXEZZACHSA-N 2 1 295.339 1.581 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000049330189 282209096 /nfs/dbraw/zinc/20/90/96/282209096.db2.gz QCSHLQGKSYDGNP-UHFFFAOYSA-N 2 1 260.297 1.890 20 5 CDBDMP C[NH2+]CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414830346 370451375 /nfs/dbraw/zinc/45/13/75/370451375.db2.gz NXTYQJUXAVTVCK-NSHDSACASA-N 2 1 251.330 1.725 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357099741 375728976 /nfs/dbraw/zinc/72/89/76/375728976.db2.gz DDDQZKUGNPUHOA-CHWSQXEVSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357099741 375728979 /nfs/dbraw/zinc/72/89/79/375728979.db2.gz DDDQZKUGNPUHOA-CHWSQXEVSA-N 2 1 291.351 1.515 20 5 CDBDMP C[C@](C[NH3+])([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430555542 393101233 /nfs/dbraw/zinc/10/12/33/393101233.db2.gz IVXUHQXHDBFFAC-CQSZACIVSA-N 2 1 279.340 1.691 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430957442 393107597 /nfs/dbraw/zinc/10/75/97/393107597.db2.gz SJAMNAAGFXHCKV-LBPRGKRZSA-N 2 1 279.340 1.515 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430957442 393107603 /nfs/dbraw/zinc/10/76/03/393107603.db2.gz SJAMNAAGFXHCKV-LBPRGKRZSA-N 2 1 279.340 1.515 20 5 CDBDMP C[C@@H]1CC2(C[N@H+]1Cc1c([N+](=O)[O-])ncn1C)CC[NH2+]CC2 ZINC000424298044 287237488 /nfs/dbraw/zinc/23/74/88/287237488.db2.gz TUNPVIQIXHIMBQ-LLVKDONJSA-N 2 1 293.371 1.292 20 5 CDBDMP CC1([NH3+])CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923345654 813098521 /nfs/dbraw/zinc/09/85/21/813098521.db2.gz KVUANURCFVTBBY-ZDUSSCGKSA-N 2 1 279.340 1.441 20 5 CDBDMP Cn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])n1 ZINC000883418083 814033333 /nfs/dbraw/zinc/03/33/33/814033333.db2.gz WOHOULNQTDWTAI-UHFFFAOYSA-N 2 1 267.333 1.030 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)C2 ZINC001246089411 947938713 /nfs/dbraw/zinc/93/87/13/947938713.db2.gz DWKWAIGAGCZCRJ-KBPBESRZSA-N 2 1 275.352 1.794 20 5 CDBDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000592439027 342693009 /nfs/dbraw/zinc/69/30/09/342693009.db2.gz XVQPFBPCEPVVJG-DTWKUNHWSA-N 2 1 255.293 1.949 20 5 CDBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000163251396 356110928 /nfs/dbraw/zinc/11/09/28/356110928.db2.gz RMPQDPDNFNSZKH-WCQYABFASA-N 2 1 263.341 1.806 20 5 CDBDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283933705 357621254 /nfs/dbraw/zinc/62/12/54/357621254.db2.gz FCPZAIVYBBQINR-JTQLQIEISA-N 2 1 278.356 1.922 20 5 CDBDMP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762677 359585398 /nfs/dbraw/zinc/58/53/98/359585398.db2.gz KOGIXCIOSNTCGH-FUNVUKJBSA-N 2 1 293.371 1.348 20 5 CDBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762677 359585401 /nfs/dbraw/zinc/58/54/01/359585401.db2.gz KOGIXCIOSNTCGH-FUNVUKJBSA-N 2 1 293.371 1.348 20 5 CDBDMP C[NH+](CCn1ccc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762677 359585402 /nfs/dbraw/zinc/58/54/02/359585402.db2.gz KOGIXCIOSNTCGH-FUNVUKJBSA-N 2 1 293.371 1.348 20 5 CDBDMP C[NH+](CCn1ccc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762677 359585404 /nfs/dbraw/zinc/58/54/04/359585404.db2.gz KOGIXCIOSNTCGH-FUNVUKJBSA-N 2 1 293.371 1.348 20 5 CDBDMP COc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000415072207 391254513 /nfs/dbraw/zinc/25/45/13/391254513.db2.gz VLJDCBNCYFCPFY-UHFFFAOYSA-N 2 1 279.340 1.835 20 5 CDBDMP [NH3+]CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423180161 392958658 /nfs/dbraw/zinc/95/86/58/392958658.db2.gz IHDPAWAZJXVGPO-YPMHNXCESA-N 2 1 263.341 1.854 20 5 CDBDMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000261600005 140361335 /nfs/dbraw/zinc/36/13/35/140361335.db2.gz PRVCEKHIADDTFK-AWEZNQCLSA-N 2 1 263.341 1.808 20 5 CDBDMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000158819826 277083611 /nfs/dbraw/zinc/08/36/11/277083611.db2.gz JWIWRPJQSGFBKI-STQMWFEESA-N 2 1 293.371 1.207 20 5 CDBDMP C[N@H+]1CCC[C@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000158819826 277083613 /nfs/dbraw/zinc/08/36/13/277083613.db2.gz JWIWRPJQSGFBKI-STQMWFEESA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000158819826 277083615 /nfs/dbraw/zinc/08/36/15/277083615.db2.gz JWIWRPJQSGFBKI-STQMWFEESA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000158819826 277083616 /nfs/dbraw/zinc/08/36/16/277083616.db2.gz JWIWRPJQSGFBKI-STQMWFEESA-N 2 1 293.371 1.207 20 5 CDBDMP O=[N+]([O-])CCNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000905241333 626720678 /nfs/dbraw/zinc/72/06/78/626720678.db2.gz DFZYCBKGBYXOPC-AWEZNQCLSA-N 2 1 263.341 1.375 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000905241333 626720683 /nfs/dbraw/zinc/72/06/83/626720683.db2.gz DFZYCBKGBYXOPC-AWEZNQCLSA-N 2 1 263.341 1.375 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000905241333 626720687 /nfs/dbraw/zinc/72/06/87/626720687.db2.gz DFZYCBKGBYXOPC-AWEZNQCLSA-N 2 1 263.341 1.375 20 5 CDBDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957330 819019756 /nfs/dbraw/zinc/01/97/56/819019756.db2.gz AYRNLWZKLSHFRO-JOYOIKCWSA-N 2 1 266.345 1.811 20 5 CDBDMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817970801 821973354 /nfs/dbraw/zinc/97/33/54/821973354.db2.gz FIXSVFJBZJDATD-SCVCMEIPSA-N 2 1 278.356 1.968 20 5 CDBDMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968146 927591168 /nfs/dbraw/zinc/59/11/68/927591168.db2.gz WQDHTECYIXUZBT-DGCLKSJQSA-N 2 1 255.362 1.506 20 5 CDBDMP CCC[NH+]1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176238016 148030044 /nfs/dbraw/zinc/03/00/44/148030044.db2.gz GBXDQHOOMZJLIC-UHFFFAOYSA-N 2 1 295.387 1.598 20 5 CDBDMP CCC[NH+]1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176238016 148030048 /nfs/dbraw/zinc/03/00/48/148030048.db2.gz GBXDQHOOMZJLIC-UHFFFAOYSA-N 2 1 295.387 1.598 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359297258 158204644 /nfs/dbraw/zinc/20/46/44/158204644.db2.gz YXJFZCSEGSRREB-RYUDHWBXSA-N 2 1 277.324 1.125 20 5 CDBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000923294920 824435127 /nfs/dbraw/zinc/43/51/27/824435127.db2.gz QKCGMHMDSAJIHA-SSDMNJCBSA-N 2 1 293.367 1.830 20 5 CDBDMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817964785 826880600 /nfs/dbraw/zinc/88/06/00/826880600.db2.gz INIINMURRMVZRW-VIFPVBQESA-N 2 1 264.329 1.709 20 5 CDBDMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817960243 828013691 /nfs/dbraw/zinc/01/36/91/828013691.db2.gz KXOAUIUEAJUKMB-QMMMGPOBSA-N 2 1 252.318 1.565 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001261502872 946149369 /nfs/dbraw/zinc/14/93/69/946149369.db2.gz CBAIZPTVRCQAKK-UHFFFAOYSA-N 2 1 293.371 1.257 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC001328379396 955279103 /nfs/dbraw/zinc/27/91/03/955279103.db2.gz WJPNRVMCCYBQJM-UHFFFAOYSA-N 2 1 261.325 1.910 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC001328772582 955469259 /nfs/dbraw/zinc/46/92/59/955469259.db2.gz PIWJZPDSGSXNCB-NSHDSACASA-N 2 1 261.325 1.910 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC001328772582 955469261 /nfs/dbraw/zinc/46/92/61/955469261.db2.gz PIWJZPDSGSXNCB-NSHDSACASA-N 2 1 261.325 1.910 20 5 CDBDMP C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001337776692 961418027 /nfs/dbraw/zinc/41/80/27/961418027.db2.gz CXBBBMYJWAEYST-ZFWWWQNUSA-N 2 1 277.368 1.763 20 5 CDBDMP C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001337776692 961418037 /nfs/dbraw/zinc/41/80/37/961418037.db2.gz CXBBBMYJWAEYST-ZFWWWQNUSA-N 2 1 277.368 1.763 20 5 CDBDMP O=[N+]([O-])c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414814229 241399082 /nfs/dbraw/zinc/39/90/82/241399082.db2.gz NPQGXMPXYKQSLB-FUNVUKJBSA-N 2 1 261.325 1.967 20 5 CDBDMP [NH3+]CC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001580284528 1172393279 /nfs/dbraw/zinc/39/32/79/1172393279.db2.gz HLLDHKCOGZSUJY-ZDUSSCGKSA-N 2 1 279.340 1.269 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049330346 527431627 /nfs/dbraw/zinc/43/16/27/527431627.db2.gz RORPPOCQKQECCF-UHFFFAOYSA-N 2 1 274.324 1.932 20 5 CDBDMP C[C@@H](C[NH3+])[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000430940340 1186770193 /nfs/dbraw/zinc/77/01/93/1186770193.db2.gz OVVDFGLWDAYJIJ-NSHDSACASA-N 2 1 267.329 1.643 20 5 CDBDMP C[C@@H](C[NH3+])[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000430940340 1186770199 /nfs/dbraw/zinc/77/01/99/1186770199.db2.gz OVVDFGLWDAYJIJ-NSHDSACASA-N 2 1 267.329 1.643 20 5 CDBDMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817984092 833294290 /nfs/dbraw/zinc/29/42/90/833294290.db2.gz MUUHHGJTBATNGV-JTQLQIEISA-N 2 1 278.356 1.970 20 5 CDBDMP C[C@H](C[NH3+])[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841061283 828847697 /nfs/dbraw/zinc/84/76/97/828847697.db2.gz WTCWELIOTCSJOH-LLVKDONJSA-N 2 1 278.356 1.500 20 5 CDBDMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039923 927655084 /nfs/dbraw/zinc/65/50/84/927655084.db2.gz VVMHGVXYAOJIML-IUODEOHRSA-N 2 1 281.400 1.990 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001169019022 927659200 /nfs/dbraw/zinc/65/92/00/927659200.db2.gz GEGJZZQUFIUJCB-HUUCEWRRSA-N 2 1 293.411 1.850 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001169019022 927659207 /nfs/dbraw/zinc/65/92/07/927659207.db2.gz GEGJZZQUFIUJCB-HUUCEWRRSA-N 2 1 293.411 1.850 20 5 CDBDMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024817 927662562 /nfs/dbraw/zinc/66/25/62/927662562.db2.gz RAYVDGHUDXGOFW-BYNSBNAKSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024817 927662571 /nfs/dbraw/zinc/66/25/71/927662571.db2.gz RAYVDGHUDXGOFW-BYNSBNAKSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024817 927662574 /nfs/dbraw/zinc/66/25/74/927662574.db2.gz RAYVDGHUDXGOFW-BYNSBNAKSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024817 927662581 /nfs/dbraw/zinc/66/25/81/927662581.db2.gz RAYVDGHUDXGOFW-BYNSBNAKSA-N 2 1 297.399 1.084 20 5 CDBDMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001345103451 964573549 /nfs/dbraw/zinc/57/35/49/964573549.db2.gz FJOAYRIJXHFXSO-SNVBAGLBSA-N 2 1 267.329 1.691 20 5 CDBDMP O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000604013627 344852220 /nfs/dbraw/zinc/85/22/20/344852220.db2.gz XROPOSOLXHFAIY-BETUJISGSA-N 2 1 291.351 1.515 20 5 CDBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000422638196 374354924 /nfs/dbraw/zinc/35/49/24/374354924.db2.gz PXKZKJSIPKPLPM-IJLUTSLNSA-N 2 1 281.360 1.097 20 5 CDBDMP [NH3+]C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430954062 393106363 /nfs/dbraw/zinc/10/63/63/393106363.db2.gz DGSYTFLHHXSFRX-LLVKDONJSA-N 2 1 265.313 1.254 20 5 CDBDMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430954062 393106371 /nfs/dbraw/zinc/10/63/71/393106371.db2.gz DGSYTFLHHXSFRX-LLVKDONJSA-N 2 1 265.313 1.254 20 5 CDBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925514469 617421706 /nfs/dbraw/zinc/42/17/06/617421706.db2.gz ONOULVFHUTXLLZ-UNPMEBSKSA-N 2 1 287.363 1.723 20 5 CDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH3+])CC1 ZINC000902418744 624784175 /nfs/dbraw/zinc/78/41/75/624784175.db2.gz ZHMRCJCPEIFKLQ-LLVKDONJSA-N 2 1 263.341 1.997 20 5 CDBDMP [NH3+]C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923280914 841287505 /nfs/dbraw/zinc/28/75/05/841287505.db2.gz LZNMMPVAYPXUGG-BXUZGUMPSA-N 2 1 279.340 1.299 20 5 CDBDMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923280914 841287522 /nfs/dbraw/zinc/28/75/22/841287522.db2.gz LZNMMPVAYPXUGG-BXUZGUMPSA-N 2 1 279.340 1.299 20 5 CDBDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168966477 927589922 /nfs/dbraw/zinc/58/99/22/927589922.db2.gz ILMXFZMFLARMKN-XGFWRYKXSA-N 2 1 267.373 1.647 20 5 CDBDMP N[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001246592814 932017571 /nfs/dbraw/zinc/01/75/71/932017571.db2.gz WAUKDOUWNQQOGO-WHOHXGKFSA-N 2 1 259.325 1.193 20 5 CDBDMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001246592814 932017579 /nfs/dbraw/zinc/01/75/79/932017579.db2.gz WAUKDOUWNQQOGO-WHOHXGKFSA-N 2 1 259.325 1.193 20 5 CDBDMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001246592814 932017589 /nfs/dbraw/zinc/01/75/89/932017589.db2.gz WAUKDOUWNQQOGO-WHOHXGKFSA-N 2 1 259.325 1.193 20 5 CDBDMP Cc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160508242 938791525 /nfs/dbraw/zinc/79/15/25/938791525.db2.gz FCNGNFPNZGYUAU-CQSZACIVSA-N 2 1 291.355 1.133 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012427 948574914 /nfs/dbraw/zinc/57/49/14/948574914.db2.gz DKMVIEVPCUFOKW-YIYPIFLZSA-N 2 1 267.373 1.506 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012427 948574921 /nfs/dbraw/zinc/57/49/21/948574921.db2.gz DKMVIEVPCUFOKW-YIYPIFLZSA-N 2 1 267.373 1.506 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592984098 342751335 /nfs/dbraw/zinc/75/13/35/342751335.db2.gz HIKFZUCWJVAFMK-UHFFFAOYSA-N 2 1 279.344 1.008 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592984098 342751336 /nfs/dbraw/zinc/75/13/36/342751336.db2.gz HIKFZUCWJVAFMK-UHFFFAOYSA-N 2 1 279.344 1.008 20 5 CDBDMP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422951047 358064654 /nfs/dbraw/zinc/06/46/54/358064654.db2.gz ZPHCXAKTGAFDKF-VIFPVBQESA-N 2 1 265.313 1.301 20 5 CDBDMP [NH3+]C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814061 241399106 /nfs/dbraw/zinc/39/91/06/241399106.db2.gz YXJVWHGZDSOVGH-LQPUYASZSA-N 2 1 261.325 1.935 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428047700 247236403 /nfs/dbraw/zinc/23/64/03/247236403.db2.gz ZGQNTAZMNVTUMD-IUODEOHRSA-N 2 1 291.351 1.657 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428047700 247236406 /nfs/dbraw/zinc/23/64/06/247236406.db2.gz ZGQNTAZMNVTUMD-IUODEOHRSA-N 2 1 291.351 1.657 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428047699 247235950 /nfs/dbraw/zinc/23/59/50/247235950.db2.gz ZGQNTAZMNVTUMD-DOMZBBRYSA-N 2 1 291.351 1.657 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428047699 247235954 /nfs/dbraw/zinc/23/59/54/247235954.db2.gz ZGQNTAZMNVTUMD-DOMZBBRYSA-N 2 1 291.351 1.657 20 5 CDBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000430560011 393100788 /nfs/dbraw/zinc/10/07/88/393100788.db2.gz YFJASEPXVBGXFC-GFCCVEGCSA-N 2 1 269.349 1.097 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000261783229 140388931 /nfs/dbraw/zinc/38/89/31/140388931.db2.gz PVDCFLRLJCWKJO-AEGPPILISA-N 2 1 275.352 1.806 20 5 CDBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000420340708 536307106 /nfs/dbraw/zinc/30/71/06/536307106.db2.gz UBGGSGVCIMWAOZ-UHFFFAOYSA-N 2 1 292.339 1.345 20 5 CDBDMP O=[N+]([O-])CC[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000905037205 626378332 /nfs/dbraw/zinc/37/83/32/626378332.db2.gz WWMFPLNDWUCOGW-UHFFFAOYSA-N 2 1 263.341 1.649 20 5 CDBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000886840109 846035487 /nfs/dbraw/zinc/03/54/87/846035487.db2.gz TUFAYZLQDNXCHB-CHWSQXEVSA-N 2 1 290.367 1.811 20 5 CDBDMP C[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818940885 847747903 /nfs/dbraw/zinc/74/79/03/847747903.db2.gz IYBWVUVAUMJAEP-AWEZNQCLSA-N 2 1 279.340 1.312 20 5 CDBDMP C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229081465 907894767 /nfs/dbraw/zinc/89/47/67/907894767.db2.gz QLSKRDGRARTBMM-VIFPVBQESA-N 2 1 270.328 1.603 20 5 CDBDMP CCC1(Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C[NH2+]C1 ZINC001168585937 919317292 /nfs/dbraw/zinc/31/72/92/919317292.db2.gz AFYDTIJHACZWKM-UHFFFAOYSA-N 2 1 290.367 1.747 20 5 CDBDMP CCC1(Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C[NH2+]C1 ZINC001168585937 919317307 /nfs/dbraw/zinc/31/73/07/919317307.db2.gz AFYDTIJHACZWKM-UHFFFAOYSA-N 2 1 290.367 1.747 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001254605503 947553908 /nfs/dbraw/zinc/55/39/08/947553908.db2.gz ANBVDEYWKRCQNR-HNNXBMFYSA-N 2 1 298.346 1.817 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001254605503 947553912 /nfs/dbraw/zinc/55/39/12/947553912.db2.gz ANBVDEYWKRCQNR-HNNXBMFYSA-N 2 1 298.346 1.817 20 5 CDBDMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001246555642 948261698 /nfs/dbraw/zinc/26/16/98/948261698.db2.gz XWGMMFKTMIMDLH-AGIUHOORSA-N 2 1 255.362 1.635 20 5 CDBDMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246583299 948314809 /nfs/dbraw/zinc/31/48/09/948314809.db2.gz JIPIBINNPPKCSN-MGPQQGTHSA-N 2 1 269.389 1.883 20 5 CDBDMP O=[N+]([O-])c1ccc(CCN2CCc3nc[nH]c3C2)cc1 ZINC000590599509 342579685 /nfs/dbraw/zinc/57/96/85/342579685.db2.gz IBMZREGUXZANNU-UHFFFAOYSA-N 2 1 272.308 1.919 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357043535 391937454 /nfs/dbraw/zinc/93/74/54/391937454.db2.gz GMHZJUMUNDLYBG-JSGCOSHPSA-N 2 1 275.352 1.945 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357043535 391937458 /nfs/dbraw/zinc/93/74/58/391937458.db2.gz GMHZJUMUNDLYBG-JSGCOSHPSA-N 2 1 275.352 1.945 20 5 CDBDMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430959400 393107674 /nfs/dbraw/zinc/10/76/74/393107674.db2.gz YYRBRFJXXHSKLA-NSHDSACASA-N 2 1 265.313 1.254 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261672352 140373436 /nfs/dbraw/zinc/37/34/36/140373436.db2.gz GBISHFORPGRNQS-DZGCQCFKSA-N 2 1 275.352 1.821 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261672352 140373438 /nfs/dbraw/zinc/37/34/38/140373438.db2.gz GBISHFORPGRNQS-DZGCQCFKSA-N 2 1 275.352 1.821 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359273687 158192945 /nfs/dbraw/zinc/19/29/45/158192945.db2.gz JEJHAJDBFQQBSJ-TXEJJXNPSA-N 2 1 277.324 1.125 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359273687 158192948 /nfs/dbraw/zinc/19/29/48/158192948.db2.gz JEJHAJDBFQQBSJ-TXEJJXNPSA-N 2 1 277.324 1.125 20 5 CDBDMP C[C@@](C[NH3+])([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430599109 279149096 /nfs/dbraw/zinc/14/90/96/279149096.db2.gz UYIAIGLRFJUOQH-AWEZNQCLSA-N 2 1 263.341 1.854 20 5 CDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH3+])CC1 ZINC000902418745 624783661 /nfs/dbraw/zinc/78/36/61/624783661.db2.gz ZHMRCJCPEIFKLQ-NSHDSACASA-N 2 1 263.341 1.997 20 5 CDBDMP COc1ccc(C[C@H](C)[NH2+]C2(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170327478 1162337539 /nfs/dbraw/zinc/33/75/39/1162337539.db2.gz SBYVBUVRBNDSCV-JTQLQIEISA-N 2 1 279.340 1.615 20 5 CDBDMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817965439 849378713 /nfs/dbraw/zinc/37/87/13/849378713.db2.gz QLRIOORNMBRIMS-QPUJVOFHSA-N 2 1 264.329 1.565 20 5 CDBDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977733 927563340 /nfs/dbraw/zinc/56/33/40/927563340.db2.gz LNOZFJIUOXHAQI-XUXIUFHCSA-N 2 1 269.389 1.894 20 5 CDBDMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024818 927662823 /nfs/dbraw/zinc/66/28/23/927662823.db2.gz RAYVDGHUDXGOFW-CBBWQLFWSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024818 927662829 /nfs/dbraw/zinc/66/28/29/927662829.db2.gz RAYVDGHUDXGOFW-CBBWQLFWSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024818 927662835 /nfs/dbraw/zinc/66/28/35/927662835.db2.gz RAYVDGHUDXGOFW-CBBWQLFWSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024818 927662838 /nfs/dbraw/zinc/66/28/38/927662838.db2.gz RAYVDGHUDXGOFW-CBBWQLFWSA-N 2 1 297.399 1.084 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001169052552 927672518 /nfs/dbraw/zinc/67/25/18/927672518.db2.gz HEJGJPQYISKVFO-TZMCWYRMSA-N 2 1 267.373 1.602 20 5 CDBDMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001118122175 937593927 /nfs/dbraw/zinc/59/39/27/937593927.db2.gz QNALOOSHLXFLOE-UWVGGRQHSA-N 2 1 266.345 1.826 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246447266 948178061 /nfs/dbraw/zinc/17/80/61/948178061.db2.gz VCWAONYTDOFXNF-GWCFXTLKSA-N 2 1 261.325 1.477 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246447269 948179492 /nfs/dbraw/zinc/17/94/92/948179492.db2.gz VCWAONYTDOFXNF-ZWNOBZJWSA-N 2 1 261.325 1.477 20 5 CDBDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000592439023 342692989 /nfs/dbraw/zinc/69/29/89/342692989.db2.gz XVQPFBPCEPVVJG-BDAKNGLRSA-N 2 1 255.293 1.949 20 5 CDBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000112839622 366160250 /nfs/dbraw/zinc/16/02/50/366160250.db2.gz ASELPBHSONJWDK-CABCVRRESA-N 2 1 291.351 1.548 20 5 CDBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330965005 359128812 /nfs/dbraw/zinc/12/88/12/359128812.db2.gz AIGOWOWGQUPREY-STQMWFEESA-N 2 1 295.387 1.596 20 5 CDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330965005 359128818 /nfs/dbraw/zinc/12/88/18/359128818.db2.gz AIGOWOWGQUPREY-STQMWFEESA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330965005 359128821 /nfs/dbraw/zinc/12/88/21/359128821.db2.gz AIGOWOWGQUPREY-STQMWFEESA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330965005 359128825 /nfs/dbraw/zinc/12/88/25/359128825.db2.gz AIGOWOWGQUPREY-STQMWFEESA-N 2 1 295.387 1.596 20 5 CDBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576807 375290395 /nfs/dbraw/zinc/29/03/95/375290395.db2.gz PXTJVIOTSMQCNR-AAEUAGOBSA-N 2 1 263.341 1.806 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428040579 247233165 /nfs/dbraw/zinc/23/31/65/247233165.db2.gz WRUOGAWMRXUPRG-WFASDCNBSA-N 2 1 291.351 1.657 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428040579 247233170 /nfs/dbraw/zinc/23/31/70/247233170.db2.gz WRUOGAWMRXUPRG-WFASDCNBSA-N 2 1 291.351 1.657 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357043537 391937317 /nfs/dbraw/zinc/93/73/17/391937317.db2.gz GMHZJUMUNDLYBG-OCCSQVGLSA-N 2 1 275.352 1.945 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357043537 391937323 /nfs/dbraw/zinc/93/73/23/391937323.db2.gz GMHZJUMUNDLYBG-OCCSQVGLSA-N 2 1 275.352 1.945 20 5 CDBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000430560012 393100723 /nfs/dbraw/zinc/10/07/23/393100723.db2.gz YFJASEPXVBGXFC-LBPRGKRZSA-N 2 1 269.349 1.097 20 5 CDBDMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430967774 393106728 /nfs/dbraw/zinc/10/67/28/393106728.db2.gz UQTHKUNOJZCGHF-LLVKDONJSA-N 2 1 292.339 1.204 20 5 CDBDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000906517574 627301414 /nfs/dbraw/zinc/30/14/14/627301414.db2.gz HNAHOLSMUOPFEK-KYZUINATSA-N 2 1 255.705 1.828 20 5 CDBDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158622172 1178225519 /nfs/dbraw/zinc/22/55/19/1178225519.db2.gz UMYIAPRCOWXMAA-WFASDCNBSA-N 2 1 293.367 1.560 20 5 CDBDMP Cn1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000883439497 705351511 /nfs/dbraw/zinc/35/15/11/705351511.db2.gz STFKRCIPYFSUEM-AWEZNQCLSA-N 2 1 295.387 1.525 20 5 CDBDMP Cn1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000883439497 705351517 /nfs/dbraw/zinc/35/15/17/705351517.db2.gz STFKRCIPYFSUEM-AWEZNQCLSA-N 2 1 295.387 1.525 20 5 CDBDMP Cc1ncc2n1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010240 927614035 /nfs/dbraw/zinc/61/40/35/927614035.db2.gz BRMAYLZVDWKPBD-RYUDHWBXSA-N 2 1 264.329 1.453 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001169052550 927669982 /nfs/dbraw/zinc/66/99/82/927669982.db2.gz HEJGJPQYISKVFO-JSGCOSHPSA-N 2 1 267.373 1.602 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332259 244096919 /nfs/dbraw/zinc/09/69/19/244096919.db2.gz RTCNQBOYAZDXMU-CHWSQXEVSA-N 2 1 293.371 1.113 20 5 CDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C1 ZINC000414892212 371032821 /nfs/dbraw/zinc/03/28/21/371032821.db2.gz XMXCKKZRZWBVRG-YPMHNXCESA-N 2 1 263.341 1.867 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261602093 140360934 /nfs/dbraw/zinc/36/09/34/140360934.db2.gz QHSMHPXMUBWXED-MRVWCRGKSA-N 2 1 261.325 1.764 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261602093 140360936 /nfs/dbraw/zinc/36/09/36/140360936.db2.gz QHSMHPXMUBWXED-MRVWCRGKSA-N 2 1 261.325 1.764 20 5 CDBDMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992478 927600645 /nfs/dbraw/zinc/60/06/45/927600645.db2.gz JYQYGTFIZGLBKN-GXTWGEPZSA-N 2 1 285.388 1.132 20 5 CDBDMP Cc1c(C)c(NCC[NH+]2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161867957 938937455 /nfs/dbraw/zinc/93/74/55/938937455.db2.gz YILHEIOTYZKNIB-UHFFFAOYSA-N 2 1 293.371 1.442 20 5 CDBDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601079 947549069 /nfs/dbraw/zinc/54/90/69/947549069.db2.gz YPIPJHFHVRMTLN-DIOULYMOSA-N 2 1 289.379 1.992 20 5 CDBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601079 947549077 /nfs/dbraw/zinc/54/90/77/947549077.db2.gz YPIPJHFHVRMTLN-DIOULYMOSA-N 2 1 289.379 1.992 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246448645 948179515 /nfs/dbraw/zinc/17/95/15/948179515.db2.gz ZOFQGTDKFJNFHZ-YPMHNXCESA-N 2 1 259.309 1.014 20 5 CDBDMP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000595901037 343186785 /nfs/dbraw/zinc/18/67/85/343186785.db2.gz APWWVGAHUDXIKT-UHFFFAOYSA-N 2 1 294.355 1.593 20 5 CDBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000595901037 343186786 /nfs/dbraw/zinc/18/67/86/343186786.db2.gz APWWVGAHUDXIKT-UHFFFAOYSA-N 2 1 294.355 1.593 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430949910 393106985 /nfs/dbraw/zinc/10/69/85/393106985.db2.gz FJJMYXKZALSTDL-GFCCVEGCSA-N 2 1 279.340 1.515 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430949910 393106993 /nfs/dbraw/zinc/10/69/93/393106993.db2.gz FJJMYXKZALSTDL-GFCCVEGCSA-N 2 1 279.340 1.515 20 5 CDBDMP C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094342135 147082987 /nfs/dbraw/zinc/08/29/87/147082987.db2.gz UVCPZJGTJQGMGS-FZMZJTMJSA-N 2 1 263.341 1.806 20 5 CDBDMP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923280919 923701011 /nfs/dbraw/zinc/70/10/11/923701011.db2.gz LZNMMPVAYPXUGG-SMDDNHRTSA-N 2 1 279.340 1.299 20 5 CDBDMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923280919 923701079 /nfs/dbraw/zinc/70/10/79/923701079.db2.gz LZNMMPVAYPXUGG-SMDDNHRTSA-N 2 1 279.340 1.299 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001169036571 927646965 /nfs/dbraw/zinc/64/69/65/927646965.db2.gz GSVSPCTUPHGUSE-NEPJUHHUSA-N 2 1 264.329 1.187 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001169036571 927646968 /nfs/dbraw/zinc/64/69/68/927646968.db2.gz GSVSPCTUPHGUSE-NEPJUHHUSA-N 2 1 264.329 1.187 20 5 CDBDMP CC[N@@H+](C)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049588 927666100 /nfs/dbraw/zinc/66/61/00/927666100.db2.gz WOIIXERJQPHXHI-OCCSQVGLSA-N 2 1 269.389 1.848 20 5 CDBDMP C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@H]1C[NH3+] ZINC001246569620 931828905 /nfs/dbraw/zinc/82/89/05/931828905.db2.gz RCIBFGJJKCSEEY-ZOBORPQBSA-N 2 1 269.389 1.739 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)C[NH3+] ZINC001254532912 947508178 /nfs/dbraw/zinc/50/81/78/947508178.db2.gz SNJFJZBJWMLBTQ-JTQLQIEISA-N 2 1 251.330 1.853 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246641389 948376449 /nfs/dbraw/zinc/37/64/49/948376449.db2.gz DWZINMHWQHZZFE-MCIONIFRSA-N 2 1 267.373 1.650 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246641389 948376456 /nfs/dbraw/zinc/37/64/56/948376456.db2.gz DWZINMHWQHZZFE-MCIONIFRSA-N 2 1 267.373 1.650 20 5 CDBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261661157 140371133 /nfs/dbraw/zinc/37/11/33/140371133.db2.gz KLIFMQXMAOIKOE-OAHLLOKOSA-N 2 1 290.367 1.074 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000071147600 176043162 /nfs/dbraw/zinc/04/31/62/176043162.db2.gz ZHZCFUYNJXDKDQ-CYBMUJFWSA-N 2 1 263.341 1.679 20 5 CDBDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168966183 927589227 /nfs/dbraw/zinc/58/92/27/927589227.db2.gz GXUFKIIWYPIUSX-UPJWGTAASA-N 2 1 255.362 1.363 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001169036394 927645323 /nfs/dbraw/zinc/64/53/23/927645323.db2.gz FTJXFVDXQVMEBI-DGCLKSJQSA-N 2 1 278.356 1.968 20 5 CDBDMP C[NH+](C)/C=C/c1cc(NCC2([NH3+])CCC2)ncc1[N+](=O)[O-] ZINC001163327264 939248227 /nfs/dbraw/zinc/24/82/27/939248227.db2.gz VOOHZTVBSRBMEX-QPJJXVBHSA-N 2 1 291.355 1.815 20 5 CDBDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356571644 969433759 /nfs/dbraw/zinc/43/37/59/969433759.db2.gz WSRROHQNTBXCAK-DOMZBBRYSA-N 2 1 293.367 1.560 20 5 CDBDMP C[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726447 342829426 /nfs/dbraw/zinc/82/94/26/342829426.db2.gz HZERAIGWLOXVOX-PWSUYJOCSA-N 2 1 279.340 1.717 20 5 CDBDMP C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726447 342829428 /nfs/dbraw/zinc/82/94/28/342829428.db2.gz HZERAIGWLOXVOX-PWSUYJOCSA-N 2 1 279.340 1.717 20 5 CDBDMP [NH3+][C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414892497 371033284 /nfs/dbraw/zinc/03/32/84/371033284.db2.gz JFXZOUAKDKYQLN-LQPUYASZSA-N 2 1 261.325 1.935 20 5 CDBDMP [NH3+]C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347178340 374414225 /nfs/dbraw/zinc/41/42/25/374414225.db2.gz SOGOXUSEDZJHDF-FHMRSRPSSA-N 2 1 261.325 1.889 20 5 CDBDMP [NH3+]C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347178340 374414229 /nfs/dbraw/zinc/41/42/29/374414229.db2.gz SOGOXUSEDZJHDF-FHMRSRPSSA-N 2 1 261.325 1.889 20 5 CDBDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680731 390815769 /nfs/dbraw/zinc/81/57/69/390815769.db2.gz UGCLHGDHCKRMPS-OCCSQVGLSA-N 2 1 293.371 1.207 20 5 CDBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680731 390815774 /nfs/dbraw/zinc/81/57/74/390815774.db2.gz UGCLHGDHCKRMPS-OCCSQVGLSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680731 390815779 /nfs/dbraw/zinc/81/57/79/390815779.db2.gz UGCLHGDHCKRMPS-OCCSQVGLSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680731 390815781 /nfs/dbraw/zinc/81/57/81/390815781.db2.gz UGCLHGDHCKRMPS-OCCSQVGLSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH2+]C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853248304 677918687 /nfs/dbraw/zinc/91/86/87/677918687.db2.gz CVZTYXMPUVENBX-LBPRGKRZSA-N 2 1 292.383 1.761 20 5 CDBDMP C[NH2+]C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853248301 679514480 /nfs/dbraw/zinc/51/44/80/679514480.db2.gz CVZTYXMPUVENBX-GFCCVEGCSA-N 2 1 292.383 1.761 20 5 CDBDMP COc1ccc(C[C@@H](C)[NH2+]C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170297693 1162327696 /nfs/dbraw/zinc/32/76/96/1162327696.db2.gz QSQUTVFNKUUUJE-SNVBAGLBSA-N 2 1 281.356 1.861 20 5 CDBDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977732 927564184 /nfs/dbraw/zinc/56/41/84/927564184.db2.gz LNOZFJIUOXHAQI-RFGFWPKPSA-N 2 1 269.389 1.894 20 5 CDBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006380 927610919 /nfs/dbraw/zinc/61/09/19/927610919.db2.gz HGFONNCCKCABHS-LPWJVIDDSA-N 2 1 255.362 1.362 20 5 CDBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006380 927610926 /nfs/dbraw/zinc/61/09/26/927610926.db2.gz HGFONNCCKCABHS-LPWJVIDDSA-N 2 1 255.362 1.362 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+](C)CCO ZINC001254548960 947522887 /nfs/dbraw/zinc/52/28/87/947522887.db2.gz OJXBMNLLJGXFIL-CYBMUJFWSA-N 2 1 295.383 1.430 20 5 CDBDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592438937 342693004 /nfs/dbraw/zinc/69/30/04/342693004.db2.gz WGGFWWKBEVAOQN-ZJUUUORDSA-N 2 1 295.339 1.581 20 5 CDBDMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000261865549 357336925 /nfs/dbraw/zinc/33/69/25/357336925.db2.gz SNISYJDYVPJHEB-CQSZACIVSA-N 2 1 279.340 1.644 20 5 CDBDMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000414826700 367006358 /nfs/dbraw/zinc/00/63/58/367006358.db2.gz JIOMQAVUTMEKIJ-FUNVUKJBSA-N 2 1 291.351 1.976 20 5 CDBDMP C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000420401807 244203302 /nfs/dbraw/zinc/20/33/02/244203302.db2.gz JNARYCDNUHEBHF-OLZOCXBDSA-N 2 1 293.367 1.890 20 5 CDBDMP C[NH+](C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372990285 374458465 /nfs/dbraw/zinc/45/84/65/374458465.db2.gz PBZBZZGHBFLDHG-LBPRGKRZSA-N 2 1 281.360 1.207 20 5 CDBDMP C[NH+](C)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372990285 374458467 /nfs/dbraw/zinc/45/84/67/374458467.db2.gz PBZBZZGHBFLDHG-LBPRGKRZSA-N 2 1 281.360 1.207 20 5 CDBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415043571 391249981 /nfs/dbraw/zinc/24/99/81/391249981.db2.gz RSDQLCVOADVTKD-BOTMBNHJSA-N 2 1 291.351 1.576 20 5 CDBDMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430936068 393105615 /nfs/dbraw/zinc/10/56/15/393105615.db2.gz WSVBDLONYTYCEW-NSHDSACASA-N 2 1 292.339 1.204 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000071147598 176043210 /nfs/dbraw/zinc/04/32/10/176043210.db2.gz ZHZCFUYNJXDKDQ-ZDUSSCGKSA-N 2 1 263.341 1.679 20 5 CDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1(C[NH3+])CCCCC1 ZINC000883454141 681868207 /nfs/dbraw/zinc/86/82/07/681868207.db2.gz QIFBYQSFCPZAJY-UHFFFAOYSA-N 2 1 281.360 1.385 20 5 CDBDMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296380 683852151 /nfs/dbraw/zinc/85/21/51/683852151.db2.gz GWAXZXKZOZZAEP-CABCVRRESA-N 2 1 295.383 1.933 20 5 CDBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296380 683852153 /nfs/dbraw/zinc/85/21/53/683852153.db2.gz GWAXZXKZOZZAEP-CABCVRRESA-N 2 1 295.383 1.933 20 5 CDBDMP [NH2+]=C(Nc1cccc2ncc([N+](=O)[O-])n21)SCC[NH3+] ZINC001167915660 902246859 /nfs/dbraw/zinc/24/68/59/902246859.db2.gz JODSWJJDRRVLRM-UHFFFAOYSA-N 2 1 280.313 1.281 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001168977410 927564228 /nfs/dbraw/zinc/56/42/28/927564228.db2.gz JKGZHJGTSVCNRP-AAEUAGOBSA-N 2 1 267.373 1.648 20 5 CDBDMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246583297 948314304 /nfs/dbraw/zinc/31/43/04/948314304.db2.gz JIPIBINNPPKCSN-HZSPNIEDSA-N 2 1 269.389 1.883 20 5 CDBDMP C[N@@H+](CCC[NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000592473941 342698790 /nfs/dbraw/zinc/69/87/90/342698790.db2.gz WBLSLAXCIVVGJU-UHFFFAOYSA-N 2 1 253.302 1.254 20 5 CDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000600712843 342243920 /nfs/dbraw/zinc/24/39/20/342243920.db2.gz BGAWBDCGGXPTHZ-WOPDTQHZSA-N 2 1 279.344 1.227 20 5 CDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCC[NH3+] ZINC000600737591 342246494 /nfs/dbraw/zinc/24/64/94/342246494.db2.gz WTOKSZXYDUNBBO-LLVKDONJSA-N 2 1 267.329 1.563 20 5 CDBDMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000271856154 191369615 /nfs/dbraw/zinc/36/96/15/191369615.db2.gz UXEASVJLCUIAEY-UHFFFAOYSA-N 2 1 261.325 1.946 20 5 CDBDMP [NH3+]CCOCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420353730 244130175 /nfs/dbraw/zinc/13/01/75/244130175.db2.gz BZHIXBXRKXLTFZ-UHFFFAOYSA-N 2 1 279.340 1.535 20 5 CDBDMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414942698 371136487 /nfs/dbraw/zinc/13/64/87/371136487.db2.gz KNIXSEGTYGEBOJ-QWRGUYRKSA-N 2 1 251.330 1.853 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000351477536 375301106 /nfs/dbraw/zinc/30/11/06/375301106.db2.gz NLTDELJABWIZAK-KCPJHIHWSA-N 2 1 291.351 1.643 20 5 CDBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000442784198 392493913 /nfs/dbraw/zinc/49/39/13/392493913.db2.gz ROLDJPPJWCFCRV-NWDGAFQWSA-N 2 1 279.340 1.643 20 5 CDBDMP C[N@@H+](CCCCCC[NH3+])Cc1cccnc1[N+](=O)[O-] ZINC000886841433 686800888 /nfs/dbraw/zinc/80/08/88/686800888.db2.gz LIBJAHWIJZYJTI-UHFFFAOYSA-N 2 1 266.345 1.941 20 5 CDBDMP CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122713464 1175245064 /nfs/dbraw/zinc/24/50/64/1175245064.db2.gz HFSSUBQSFVYZDP-RYUDHWBXSA-N 2 1 281.360 1.159 20 5 CDBDMP CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122713464 1175245074 /nfs/dbraw/zinc/24/50/74/1175245074.db2.gz HFSSUBQSFVYZDP-RYUDHWBXSA-N 2 1 281.360 1.159 20 5 CDBDMP C[NH2+]CCN(C)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163722652 939314986 /nfs/dbraw/zinc/31/49/86/939314986.db2.gz VQMUQPRKMRPTPT-FNORWQNLSA-N 2 1 279.344 1.178 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246613381 948346941 /nfs/dbraw/zinc/34/69/41/948346941.db2.gz YUPLQXTWMPYNLY-MCIONIFRSA-N 2 1 267.373 1.650 20 5 CDBDMP CC1([NH3+])CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000592484933 342695789 /nfs/dbraw/zinc/69/57/89/342695789.db2.gz JJMLLBPBUOTVEX-UHFFFAOYSA-N 2 1 279.340 1.787 20 5 CDBDMP C[NH2+]CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000435883372 248205802 /nfs/dbraw/zinc/20/58/02/248205802.db2.gz KEISQRZSPNPODH-LLVKDONJSA-N 2 1 279.344 1.086 20 5 CDBDMP C[NH2+]CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000435883372 248205805 /nfs/dbraw/zinc/20/58/05/248205805.db2.gz KEISQRZSPNPODH-LLVKDONJSA-N 2 1 279.344 1.086 20 5 CDBDMP C[N@@H+](CCCn1ccnc1)CCn1cc([N+](=O)[O-])cn1 ZINC000124369164 393129887 /nfs/dbraw/zinc/12/98/87/393129887.db2.gz QTSTUBJGOJDONJ-UHFFFAOYSA-N 2 1 278.316 1.010 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359461393 158254589 /nfs/dbraw/zinc/25/45/89/158254589.db2.gz YRMQHQBJYUUGFI-CHWSQXEVSA-N 2 1 261.325 1.554 20 5 CDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148959 176044748 /nfs/dbraw/zinc/04/47/48/176044748.db2.gz HNWGQCRVDMKALK-CYBMUJFWSA-N 2 1 292.383 1.493 20 5 CDBDMP Cc1c(C[N@@H+](C)CCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000071150693 176045131 /nfs/dbraw/zinc/04/51/31/176045131.db2.gz ASLYSJLBSOVVMR-UHFFFAOYSA-N 2 1 292.383 1.240 20 5 CDBDMP [NH3+][C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001580132440 1172356253 /nfs/dbraw/zinc/35/62/53/1172356253.db2.gz PAYKFHGFNFDRQR-SECBINFHSA-N 2 1 289.282 1.546 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001169036572 927647980 /nfs/dbraw/zinc/64/79/80/927647980.db2.gz GSVSPCTUPHGUSE-NWDGAFQWSA-N 2 1 264.329 1.187 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001169036572 927647988 /nfs/dbraw/zinc/64/79/88/927647988.db2.gz GSVSPCTUPHGUSE-NWDGAFQWSA-N 2 1 264.329 1.187 20 5 CDBDMP C[NH+](C)/C=C/c1cc(N2C[C@@H]3C[C@]3([NH3+])C2)ncc1[N+](=O)[O-] ZINC001165316836 939545142 /nfs/dbraw/zinc/54/51/42/939545142.db2.gz REKLJDLPYFBQON-CESFYWBNSA-N 2 1 289.339 1.060 20 5 CDBDMP C[NH+]1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254569493 947530337 /nfs/dbraw/zinc/53/03/37/947530337.db2.gz YQYANEJXKSWOJW-AWEZNQCLSA-N 2 1 275.352 1.746 20 5 CDBDMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762544 960557586 /nfs/dbraw/zinc/55/75/86/960557586.db2.gz CSYASJNPVMCGHG-SMDDNHRTSA-N 2 1 279.340 1.170 20 5 CDBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000112839626 366159087 /nfs/dbraw/zinc/15/90/87/366159087.db2.gz IFQSMYHTDFJCBU-HUUCEWRRSA-N 2 1 291.351 1.548 20 5 CDBDMP COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168626820 364031160 /nfs/dbraw/zinc/03/11/60/364031160.db2.gz UPVSAEPPTGQZFF-ZYHUDNBSSA-N 2 1 279.340 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168626820 364031166 /nfs/dbraw/zinc/03/11/66/364031166.db2.gz UPVSAEPPTGQZFF-ZYHUDNBSSA-N 2 1 279.340 1.773 20 5 CDBDMP CN(CC[C@H]1CCCC[N@H+]1C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877339 379601799 /nfs/dbraw/zinc/60/17/99/379601799.db2.gz DKNKSZXBRJATJN-CYBMUJFWSA-N 2 1 295.387 1.598 20 5 CDBDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877339 379601802 /nfs/dbraw/zinc/60/18/02/379601802.db2.gz DKNKSZXBRJATJN-CYBMUJFWSA-N 2 1 295.387 1.598 20 5 CDBDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877339 379601804 /nfs/dbraw/zinc/60/18/04/379601804.db2.gz DKNKSZXBRJATJN-CYBMUJFWSA-N 2 1 295.387 1.598 20 5 CDBDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877339 379601806 /nfs/dbraw/zinc/60/18/06/379601806.db2.gz DKNKSZXBRJATJN-CYBMUJFWSA-N 2 1 295.387 1.598 20 5 CDBDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877339 379601808 /nfs/dbraw/zinc/60/18/08/379601808.db2.gz DKNKSZXBRJATJN-CYBMUJFWSA-N 2 1 295.387 1.598 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000905097972 626637717 /nfs/dbraw/zinc/63/77/17/626637717.db2.gz PJVVGKWSQBFZHU-OAHLLOKOSA-N 2 1 277.368 1.417 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000905097972 626637721 /nfs/dbraw/zinc/63/77/21/626637721.db2.gz PJVVGKWSQBFZHU-OAHLLOKOSA-N 2 1 277.368 1.417 20 5 CDBDMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923480336 695389462 /nfs/dbraw/zinc/38/94/62/695389462.db2.gz XFNPJRPZITUIEB-SMDDNHRTSA-N 2 1 279.340 1.299 20 5 CDBDMP C[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818940886 695746370 /nfs/dbraw/zinc/74/63/70/695746370.db2.gz IYBWVUVAUMJAEP-CQSZACIVSA-N 2 1 279.340 1.312 20 5 CDBDMP C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923375957 695774393 /nfs/dbraw/zinc/77/43/93/695774393.db2.gz SLQGPDWAIGTXJF-KYOSRNDESA-N 2 1 293.367 1.545 20 5 CDBDMP C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923375957 695774399 /nfs/dbraw/zinc/77/43/99/695774399.db2.gz SLQGPDWAIGTXJF-KYOSRNDESA-N 2 1 293.367 1.545 20 5 CDBDMP C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923288119 695892009 /nfs/dbraw/zinc/89/20/09/695892009.db2.gz HPXVLVYJPCXHOE-DDTOSNHZSA-N 2 1 279.340 1.297 20 5 CDBDMP C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923288119 695892010 /nfs/dbraw/zinc/89/20/10/695892010.db2.gz HPXVLVYJPCXHOE-DDTOSNHZSA-N 2 1 279.340 1.297 20 5 CDBDMP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000923293763 725356588 /nfs/dbraw/zinc/35/65/88/725356588.db2.gz AXUJEHWWJRFHCV-ZDUSSCGKSA-N 2 1 281.356 1.545 20 5 CDBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000923293763 725356590 /nfs/dbraw/zinc/35/65/90/725356590.db2.gz AXUJEHWWJRFHCV-ZDUSSCGKSA-N 2 1 281.356 1.545 20 5 CDBDMP NCC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956635 927576639 /nfs/dbraw/zinc/57/66/39/927576639.db2.gz CBZLWWZQJURPFT-CABCVRRESA-N 2 1 277.368 1.893 20 5 CDBDMP C[C@H]1[NH2+]CC[C@H]1Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001155188572 937647162 /nfs/dbraw/zinc/64/71/62/937647162.db2.gz OIRVZASDYUKLPA-NPNFKUNOSA-N 2 1 291.355 1.684 20 5 CDBDMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001261370558 946081031 /nfs/dbraw/zinc/08/10/31/946081031.db2.gz NDXRACMHUNHCNJ-LLVKDONJSA-N 2 1 251.330 1.991 20 5 CDBDMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246865910 948491847 /nfs/dbraw/zinc/49/18/47/948491847.db2.gz DESZRUCZPSPAIJ-UBHSHLNASA-N 2 1 259.309 1.095 20 5 CDBDMP [NH3+][C@]12C[C@H]1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246865910 948491848 /nfs/dbraw/zinc/49/18/48/948491848.db2.gz DESZRUCZPSPAIJ-UBHSHLNASA-N 2 1 259.309 1.095 20 5 CDBDMP Cc1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261789445 359462065 /nfs/dbraw/zinc/46/20/65/359462065.db2.gz QITYNOXRCOAIGT-OCCSQVGLSA-N 2 1 275.352 1.945 20 5 CDBDMP Cc1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261789445 359462069 /nfs/dbraw/zinc/46/20/69/359462069.db2.gz QITYNOXRCOAIGT-OCCSQVGLSA-N 2 1 275.352 1.945 20 5 CDBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000351858370 370408614 /nfs/dbraw/zinc/40/86/14/370408614.db2.gz YUEDRTRJPBVOAL-RYUDHWBXSA-N 2 1 279.340 1.643 20 5 CDBDMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430628034 393102426 /nfs/dbraw/zinc/10/24/26/393102426.db2.gz NARNVZXFIXEKOS-LBPRGKRZSA-N 2 1 279.340 1.644 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073198 317261116 /nfs/dbraw/zinc/26/11/16/317261116.db2.gz MMAQFIQKOHAHGG-VXGBXAGGSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073198 317261119 /nfs/dbraw/zinc/26/11/19/317261119.db2.gz MMAQFIQKOHAHGG-VXGBXAGGSA-N 2 1 279.340 1.785 20 5 CDBDMP O=[N+]([O-])CCNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000905070757 626616366 /nfs/dbraw/zinc/61/63/66/626616366.db2.gz MJHYEDFGOCOOEI-OAHLLOKOSA-N 2 1 277.368 1.765 20 5 CDBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000422633552 374354519 /nfs/dbraw/zinc/35/45/19/374354519.db2.gz ILWNRCCFAGBVMT-IJLUTSLNSA-N 2 1 281.360 1.097 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357099743 375728956 /nfs/dbraw/zinc/72/89/56/375728956.db2.gz DDDQZKUGNPUHOA-QWHCGFSZSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357099743 375728961 /nfs/dbraw/zinc/72/89/61/375728961.db2.gz DDDQZKUGNPUHOA-QWHCGFSZSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357099742 375729591 /nfs/dbraw/zinc/72/95/91/375729591.db2.gz DDDQZKUGNPUHOA-OLZOCXBDSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357099742 375729597 /nfs/dbraw/zinc/72/95/97/375729597.db2.gz DDDQZKUGNPUHOA-OLZOCXBDSA-N 2 1 291.351 1.515 20 5 CDBDMP CCC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305687 392960017 /nfs/dbraw/zinc/96/00/17/392960017.db2.gz CENCZBIFWHTYQM-QWHCGFSZSA-N 2 1 295.387 1.864 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+](C)CCO ZINC001254548961 947521379 /nfs/dbraw/zinc/52/13/79/947521379.db2.gz OJXBMNLLJGXFIL-ZDUSSCGKSA-N 2 1 295.383 1.430 20 5 CDBDMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1C[NH3+] ZINC001246554606 948261358 /nfs/dbraw/zinc/26/13/58/948261358.db2.gz BTDHEYRQFRMUGT-ZOBORPQBSA-N 2 1 269.389 1.739 20 5 CDBDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356571647 969433269 /nfs/dbraw/zinc/43/32/69/969433269.db2.gz WSRROHQNTBXCAK-IUODEOHRSA-N 2 1 293.367 1.560 20 5 CDBDMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000601325861 342554011 /nfs/dbraw/zinc/55/40/11/342554011.db2.gz GMJZEHCDMZTRKV-DGCLKSJQSA-N 2 1 263.341 1.930 20 5 CDBDMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000601325861 342554012 /nfs/dbraw/zinc/55/40/12/342554012.db2.gz GMJZEHCDMZTRKV-DGCLKSJQSA-N 2 1 263.341 1.930 20 5 CDBDMP Cc1noc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344350 343043336 /nfs/dbraw/zinc/04/33/36/343043336.db2.gz CKASDRBKUICNJG-NWDGAFQWSA-N 2 1 294.355 1.807 20 5 CDBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000351861975 370426592 /nfs/dbraw/zinc/42/65/92/370426592.db2.gz MRJQEXLEAVDGTE-VXGBXAGGSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154393230 374700197 /nfs/dbraw/zinc/70/01/97/374700197.db2.gz MPPDUWPLIJBVGR-TZMCWYRMSA-N 2 1 295.383 1.428 20 5 CDBDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000358114236 375952130 /nfs/dbraw/zinc/95/21/30/375952130.db2.gz FVCPUXXGOYWNHZ-ZDTYVGOBSA-N 2 1 291.351 1.264 20 5 CDBDMP C[N@H+]1CC[C@@](O)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000358114236 375952133 /nfs/dbraw/zinc/95/21/33/375952133.db2.gz FVCPUXXGOYWNHZ-ZDTYVGOBSA-N 2 1 291.351 1.264 20 5 CDBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CC1 ZINC000423205322 285161477 /nfs/dbraw/zinc/16/14/77/285161477.db2.gz PCWROVYDNIAUID-UONOGXRCSA-N 2 1 275.352 1.867 20 5 CDBDMP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430623912 393103169 /nfs/dbraw/zinc/10/31/69/393103169.db2.gz HIRXCGKDIYNHLC-LBPRGKRZSA-N 2 1 279.340 1.644 20 5 CDBDMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430623912 393103174 /nfs/dbraw/zinc/10/31/74/393103174.db2.gz HIRXCGKDIYNHLC-LBPRGKRZSA-N 2 1 279.340 1.644 20 5 CDBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261762014 140385031 /nfs/dbraw/zinc/38/50/31/140385031.db2.gz VBWIHSYJMROTPZ-CQSZACIVSA-N 2 1 290.367 1.074 20 5 CDBDMP C[NH2+]CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423225927 397602917 /nfs/dbraw/zinc/60/29/17/397602917.db2.gz OTSMYQTZKMSRSG-CYBMUJFWSA-N 2 1 263.341 1.725 20 5 CDBDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271783 148035480 /nfs/dbraw/zinc/03/54/80/148035480.db2.gz NTBGNUWVQWZVCE-CYBMUJFWSA-N 2 1 295.387 1.455 20 5 CDBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271783 148035484 /nfs/dbraw/zinc/03/54/84/148035484.db2.gz NTBGNUWVQWZVCE-CYBMUJFWSA-N 2 1 295.387 1.455 20 5 CDBDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271783 148035486 /nfs/dbraw/zinc/03/54/86/148035486.db2.gz NTBGNUWVQWZVCE-CYBMUJFWSA-N 2 1 295.387 1.455 20 5 CDBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271783 148035489 /nfs/dbraw/zinc/03/54/89/148035489.db2.gz NTBGNUWVQWZVCE-CYBMUJFWSA-N 2 1 295.387 1.455 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000583094945 325106579 /nfs/dbraw/zinc/10/65/79/325106579.db2.gz RZDUSUKHYWDNIW-NWDGAFQWSA-N 2 1 279.340 1.963 20 5 CDBDMP C[NH2+]C[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000583636119 325213404 /nfs/dbraw/zinc/21/34/04/325213404.db2.gz JOZREXLJZVIWQC-RISCZKNCSA-N 2 1 281.356 1.524 20 5 CDBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886838137 732165961 /nfs/dbraw/zinc/16/59/61/732165961.db2.gz RPRMMNALGSOKIW-LLVKDONJSA-N 2 1 264.329 1.551 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923480334 733054384 /nfs/dbraw/zinc/05/43/84/733054384.db2.gz XFNPJRPZITUIEB-RISCZKNCSA-N 2 1 279.340 1.299 20 5 CDBDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169029016 927635500 /nfs/dbraw/zinc/63/55/00/927635500.db2.gz TWHLRGVKGNBISE-KBPBESRZSA-N 2 1 269.389 1.705 20 5 CDBDMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024819 927663616 /nfs/dbraw/zinc/66/36/16/927663616.db2.gz RAYVDGHUDXGOFW-LXTVHRRPSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024819 927663622 /nfs/dbraw/zinc/66/36/22/927663622.db2.gz RAYVDGHUDXGOFW-LXTVHRRPSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024819 927663629 /nfs/dbraw/zinc/66/36/29/927663629.db2.gz RAYVDGHUDXGOFW-LXTVHRRPSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024819 927663630 /nfs/dbraw/zinc/66/36/30/927663630.db2.gz RAYVDGHUDXGOFW-LXTVHRRPSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[N+](C)(C)Cc1ccccc1N[C@H](N)CCC[NH3+] ZINC001170898197 930692790 /nfs/dbraw/zinc/69/27/90/930692790.db2.gz CENSXKWDBPIYFF-HNNXBMFYSA-N 2 1 265.425 1.719 20 5 CDBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000886832938 930970682 /nfs/dbraw/zinc/97/06/82/930970682.db2.gz PVDZPDHAIMNHGY-WCFLWFBJSA-N 2 1 276.340 1.549 20 5 CDBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000886832938 930970689 /nfs/dbraw/zinc/97/06/89/930970689.db2.gz PVDZPDHAIMNHGY-WCFLWFBJSA-N 2 1 276.340 1.549 20 5 CDBDMP CC[N@H+](CC[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000931271211 933528345 /nfs/dbraw/zinc/52/83/45/933528345.db2.gz FJJULVARZPRTJQ-UHFFFAOYSA-N 2 1 265.357 1.847 20 5 CDBDMP CC[N@@H+](CC[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000931271211 933528351 /nfs/dbraw/zinc/52/83/51/933528351.db2.gz FJJULVARZPRTJQ-UHFFFAOYSA-N 2 1 265.357 1.847 20 5 CDBDMP N[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465737 947450551 /nfs/dbraw/zinc/45/05/51/947450551.db2.gz JJABSSPVNWUPNE-LBPRGKRZSA-N 2 1 290.367 1.597 20 5 CDBDMP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465737 947450569 /nfs/dbraw/zinc/45/05/69/947450569.db2.gz JJABSSPVNWUPNE-LBPRGKRZSA-N 2 1 290.367 1.597 20 5 CDBDMP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465737 947450572 /nfs/dbraw/zinc/45/05/72/947450572.db2.gz JJABSSPVNWUPNE-LBPRGKRZSA-N 2 1 290.367 1.597 20 5 CDBDMP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335882285 955079929 /nfs/dbraw/zinc/07/99/29/955079929.db2.gz TVOWYDKEINWQOF-CQSZACIVSA-N 2 1 295.383 1.806 20 5 CDBDMP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000595901080 343187086 /nfs/dbraw/zinc/18/70/86/343187086.db2.gz CFZNPAJMLUHJDY-UHFFFAOYSA-N 2 1 294.355 1.593 20 5 CDBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000595901080 343187087 /nfs/dbraw/zinc/18/70/87/343187087.db2.gz CFZNPAJMLUHJDY-UHFFFAOYSA-N 2 1 294.355 1.593 20 5 CDBDMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414784316 241385669 /nfs/dbraw/zinc/38/56/69/241385669.db2.gz HDGZGZNORRFWQX-UHFFFAOYSA-N 2 1 265.313 1.445 20 5 CDBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000420326914 244090293 /nfs/dbraw/zinc/09/02/93/244090293.db2.gz FMCXEXJLBAXGDB-UHFFFAOYSA-N 2 1 265.313 1.395 20 5 CDBDMP CN1CCC([N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000303986213 391085208 /nfs/dbraw/zinc/08/52/08/391085208.db2.gz IPZGWNUODRQVSK-UHFFFAOYSA-N 2 1 293.367 1.483 20 5 CDBDMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044531309 175196150 /nfs/dbraw/zinc/19/61/50/175196150.db2.gz VZDCPEJDVGJHOW-ZDUSSCGKSA-N 2 1 263.341 1.808 20 5 CDBDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000577620785 317368826 /nfs/dbraw/zinc/36/88/26/317368826.db2.gz QZKONNVUTGJEAE-CHWSQXEVSA-N 2 1 265.313 1.443 20 5 CDBDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905402481 626797784 /nfs/dbraw/zinc/79/77/84/626797784.db2.gz ZMMPMOKTWJXGNA-HIFRSBDPSA-N 2 1 277.368 1.621 20 5 CDBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905402481 626797789 /nfs/dbraw/zinc/79/77/89/626797789.db2.gz ZMMPMOKTWJXGNA-HIFRSBDPSA-N 2 1 277.368 1.621 20 5 CDBDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000819105843 733599341 /nfs/dbraw/zinc/59/93/41/733599341.db2.gz QFBTYKFAZAYKCL-KYOSRNDESA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000819105843 733599356 /nfs/dbraw/zinc/59/93/56/733599356.db2.gz QFBTYKFAZAYKCL-KYOSRNDESA-N 2 1 293.367 1.701 20 5 CDBDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957328 735571389 /nfs/dbraw/zinc/57/13/89/735571389.db2.gz AYRNLWZKLSHFRO-CABZTGNLSA-N 2 1 266.345 1.811 20 5 CDBDMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001246187223 948016790 /nfs/dbraw/zinc/01/67/90/948016790.db2.gz MSPVJZJVORXDCT-WCQYABFASA-N 2 1 293.367 1.876 20 5 CDBDMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246583295 948312174 /nfs/dbraw/zinc/31/21/74/948312174.db2.gz JIPIBINNPPKCSN-BFHYXJOUSA-N 2 1 269.389 1.883 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246641391 948375953 /nfs/dbraw/zinc/37/59/53/948375953.db2.gz DWZINMHWQHZZFE-RDBSUJKOSA-N 2 1 267.373 1.650 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246641391 948375964 /nfs/dbraw/zinc/37/59/64/948375964.db2.gz DWZINMHWQHZZFE-RDBSUJKOSA-N 2 1 267.373 1.650 20 5 CDBDMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859299 948484617 /nfs/dbraw/zinc/48/46/17/948484617.db2.gz JIMOVCDLYLWLNP-YUELXQCFSA-N 2 1 273.336 1.485 20 5 CDBDMP C[C@@H]([NH2+]C[C@]1(O)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573571578 1170695739 /nfs/dbraw/zinc/69/57/39/1170695739.db2.gz JOTFWADVNGGUTB-RISCZKNCSA-N 2 1 279.340 1.360 20 5 CDBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000351856269 370225130 /nfs/dbraw/zinc/22/51/30/370225130.db2.gz VBSIDSXDUJUPAY-RYUDHWBXSA-N 2 1 279.340 1.643 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357090204 375883188 /nfs/dbraw/zinc/88/31/88/375883188.db2.gz ZWTACKXNDVMEPD-QWHCGFSZSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357090204 375883200 /nfs/dbraw/zinc/88/32/00/375883200.db2.gz ZWTACKXNDVMEPD-QWHCGFSZSA-N 2 1 291.351 1.515 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000261610169 140363834 /nfs/dbraw/zinc/36/38/34/140363834.db2.gz SGRGDDIXGRCMTQ-WCFLWFBJSA-N 2 1 261.325 1.764 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000261610161 140363847 /nfs/dbraw/zinc/36/38/47/140363847.db2.gz SGRGDDIXGRCMTQ-CYZMBNFOSA-N 2 1 261.325 1.764 20 5 CDBDMP [NH3+]CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000044512282 175188257 /nfs/dbraw/zinc/18/82/57/175188257.db2.gz XVKJBGGVDUYWSP-UHFFFAOYSA-N 2 1 255.343 1.827 20 5 CDBDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073196 317261054 /nfs/dbraw/zinc/26/10/54/317261054.db2.gz MMAQFIQKOHAHGG-NWDGAFQWSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073196 317261057 /nfs/dbraw/zinc/26/10/57/317261057.db2.gz MMAQFIQKOHAHGG-NWDGAFQWSA-N 2 1 279.340 1.785 20 5 CDBDMP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000582965642 325079962 /nfs/dbraw/zinc/07/99/62/325079962.db2.gz UGARTLALVHCYDT-UWVGGRQHSA-N 2 1 297.355 1.827 20 5 CDBDMP C[NH+](C)Cc1ccc(C[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000930117166 738931287 /nfs/dbraw/zinc/93/12/87/738931287.db2.gz IGONMBVXTKZPDW-UHFFFAOYSA-N 2 1 251.330 1.457 20 5 CDBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000930117166 738931296 /nfs/dbraw/zinc/93/12/96/738931296.db2.gz IGONMBVXTKZPDW-UHFFFAOYSA-N 2 1 251.330 1.457 20 5 CDBDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959740 736444201 /nfs/dbraw/zinc/44/42/01/736444201.db2.gz IBRQXXBMRTWSMK-PELKAZGASA-N 2 1 264.329 1.565 20 5 CDBDMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168996091 927603591 /nfs/dbraw/zinc/60/35/91/927603591.db2.gz UYOCXWBWIUDTIN-SYQHCUMBSA-N 2 1 297.399 1.403 20 5 CDBDMP CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(C)(C)C[NH3+] ZINC001159055188 938698168 /nfs/dbraw/zinc/69/81/68/938698168.db2.gz HAGRTOGPAWVQKK-VOTSOKGWSA-N 2 1 293.371 1.696 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)n1 ZINC000592471367 342698264 /nfs/dbraw/zinc/69/82/64/342698264.db2.gz YFNMKPFKQLPWRT-UHFFFAOYSA-N 2 1 279.344 1.008 20 5 CDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000592984102 342751314 /nfs/dbraw/zinc/75/13/14/342751314.db2.gz HSDBRALCCPNIEZ-VXGBXAGGSA-N 2 1 291.355 1.086 20 5 CDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000592984102 342751315 /nfs/dbraw/zinc/75/13/15/342751315.db2.gz HSDBRALCCPNIEZ-VXGBXAGGSA-N 2 1 291.355 1.086 20 5 CDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C1 ZINC000414892206 369322449 /nfs/dbraw/zinc/32/24/49/369322449.db2.gz XMXCKKZRZWBVRG-AAEUAGOBSA-N 2 1 263.341 1.867 20 5 CDBDMP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414840206 370496444 /nfs/dbraw/zinc/49/64/44/370496444.db2.gz YFNASLAEIOKEQZ-GFCCVEGCSA-N 2 1 279.340 1.693 20 5 CDBDMP COc1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430918709 390942457 /nfs/dbraw/zinc/94/24/57/390942457.db2.gz NZEKEPYMTJIRJG-LLVKDONJSA-N 2 1 295.339 1.263 20 5 CDBDMP COc1ccc(OCC[N@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430918709 390942458 /nfs/dbraw/zinc/94/24/58/390942458.db2.gz NZEKEPYMTJIRJG-LLVKDONJSA-N 2 1 295.339 1.263 20 5 CDBDMP C[C@](C[NH3+])([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430599110 391121916 /nfs/dbraw/zinc/12/19/16/391121916.db2.gz UYIAIGLRFJUOQH-CQSZACIVSA-N 2 1 263.341 1.854 20 5 CDBDMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414954617 280739270 /nfs/dbraw/zinc/73/92/70/280739270.db2.gz STZLBVSFQNTUHZ-JQWIXIFHSA-N 2 1 279.340 1.834 20 5 CDBDMP C[C@H](C[NH3+])C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841049531 739525688 /nfs/dbraw/zinc/52/56/88/739525688.db2.gz TZRWQQHVJFSLAZ-MRVPVSSYSA-N 2 1 257.721 1.933 20 5 CDBDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923288498 740737678 /nfs/dbraw/zinc/73/76/78/740737678.db2.gz KPBXPEBHSWLQSU-LNSITVRQSA-N 2 1 293.367 1.687 20 5 CDBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923288498 740737687 /nfs/dbraw/zinc/73/76/87/740737687.db2.gz KPBXPEBHSWLQSU-LNSITVRQSA-N 2 1 293.367 1.687 20 5 CDBDMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923352272 741039389 /nfs/dbraw/zinc/03/93/89/741039389.db2.gz CLJGQGAHWFQEQJ-UKRRQHHQSA-N 2 1 293.367 1.832 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000923486872 742245912 /nfs/dbraw/zinc/24/59/12/742245912.db2.gz UYIXYIZWDCTCRT-GFCCVEGCSA-N 2 1 279.340 1.644 20 5 CDBDMP C[NH+](C)CCNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001161672881 938919479 /nfs/dbraw/zinc/91/94/79/938919479.db2.gz MHMNFJQXPSWXEV-UHFFFAOYSA-N 2 1 278.356 1.556 20 5 CDBDMP C[NH+](C)CCNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001161672881 938919483 /nfs/dbraw/zinc/91/94/83/938919483.db2.gz MHMNFJQXPSWXEV-UHFFFAOYSA-N 2 1 278.356 1.556 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246448642 948179155 /nfs/dbraw/zinc/17/91/55/948179155.db2.gz ZOFQGTDKFJNFHZ-WCQYABFASA-N 2 1 259.309 1.014 20 5 CDBDMP [NH3+][C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246549247 948257493 /nfs/dbraw/zinc/25/74/93/948257493.db2.gz WGWXGDVDJGLLTR-HIFRSBDPSA-N 2 1 275.352 1.875 20 5 CDBDMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001246555648 948262441 /nfs/dbraw/zinc/26/24/41/948262441.db2.gz XWGMMFKTMIMDLH-UPJWGTAASA-N 2 1 255.362 1.635 20 5 CDBDMP C[N@@H+]1CC[C@](O)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000358114233 375953116 /nfs/dbraw/zinc/95/31/16/375953116.db2.gz FVCPUXXGOYWNHZ-VOKGJARPSA-N 2 1 291.351 1.264 20 5 CDBDMP C[N@H+]1CC[C@](O)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000358114233 375953125 /nfs/dbraw/zinc/95/31/25/375953125.db2.gz FVCPUXXGOYWNHZ-VOKGJARPSA-N 2 1 291.351 1.264 20 5 CDBDMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430948417 393106956 /nfs/dbraw/zinc/10/69/56/393106956.db2.gz JATOIMOIZZNWDQ-LLVKDONJSA-N 2 1 265.313 1.254 20 5 CDBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923330291 746387564 /nfs/dbraw/zinc/38/75/64/746387564.db2.gz BOYQKPOOMFZVHP-JKOKRWQUSA-N 2 1 279.340 1.297 20 5 CDBDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000819105845 747060458 /nfs/dbraw/zinc/06/04/58/747060458.db2.gz QFBTYKFAZAYKCL-UXIGCNINSA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000819105845 747060470 /nfs/dbraw/zinc/06/04/70/747060470.db2.gz QFBTYKFAZAYKCL-UXIGCNINSA-N 2 1 293.367 1.701 20 5 CDBDMP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986220 927574784 /nfs/dbraw/zinc/57/47/84/927574784.db2.gz WYPVBMMHCFKFQI-UONOGXRCSA-N 3 1 286.420 1.034 20 5 CDBDMP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986220 927574788 /nfs/dbraw/zinc/57/47/88/927574788.db2.gz WYPVBMMHCFKFQI-UONOGXRCSA-N 3 1 286.420 1.034 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC001328772581 955469583 /nfs/dbraw/zinc/46/95/83/955469583.db2.gz PIWJZPDSGSXNCB-LLVKDONJSA-N 2 1 261.325 1.910 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC001328772581 955469588 /nfs/dbraw/zinc/46/95/88/955469588.db2.gz PIWJZPDSGSXNCB-LLVKDONJSA-N 2 1 261.325 1.910 20 5 CDBDMP C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001337776689 961417037 /nfs/dbraw/zinc/41/70/37/961417037.db2.gz CXBBBMYJWAEYST-DZGCQCFKSA-N 2 1 277.368 1.763 20 5 CDBDMP C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001337776689 961417051 /nfs/dbraw/zinc/41/70/51/961417051.db2.gz CXBBBMYJWAEYST-DZGCQCFKSA-N 2 1 277.368 1.763 20 5 CDBDMP C[N@@H+]1CC=C(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001356598029 969439758 /nfs/dbraw/zinc/43/97/58/969439758.db2.gz XISXKGOIKQXCQU-OAHLLOKOSA-N 2 1 291.351 1.480 20 5 CDBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000351858367 370408564 /nfs/dbraw/zinc/40/85/64/370408564.db2.gz YUEDRTRJPBVOAL-NWDGAFQWSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H]1CC2(C[N@H+]1Cc1c([N+](=O)[O-])ncn1C)CC[NH2+]CC2 ZINC000424298047 392970833 /nfs/dbraw/zinc/97/08/33/392970833.db2.gz TUNPVIQIXHIMBQ-NSHDSACASA-N 2 1 293.371 1.292 20 5 CDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C[NH3+] ZINC001173211145 912333469 /nfs/dbraw/zinc/33/34/69/912333469.db2.gz PVQLTLNCPOJUBP-JTQLQIEISA-N 2 1 251.330 1.853 20 5 CDBDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168966476 927589712 /nfs/dbraw/zinc/58/97/12/927589712.db2.gz ILMXFZMFLARMKN-VJTDZRGJSA-N 2 1 267.373 1.647 20 5 CDBDMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968148 927591007 /nfs/dbraw/zinc/59/10/07/927591007.db2.gz WQDHTECYIXUZBT-YPMHNXCESA-N 2 1 255.362 1.506 20 5 CDBDMP C[C@H](C[NH+](C)C)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001155922199 937689303 /nfs/dbraw/zinc/68/93/03/937689303.db2.gz VEELTWNPKWTSRH-XUIVZRPNSA-N 2 1 293.371 1.884 20 5 CDBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001156232753 938339053 /nfs/dbraw/zinc/33/90/53/938339053.db2.gz JCEBAPFIZKCYEM-JOAKQRRISA-N 2 1 277.328 1.060 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CC[NH3+])CC1 ZINC001254538681 947516664 /nfs/dbraw/zinc/51/66/64/947516664.db2.gz YKQGLINDJYWCAT-CYBMUJFWSA-N 2 1 292.383 1.102 20 5 CDBDMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246582480 948313229 /nfs/dbraw/zinc/31/32/29/948313229.db2.gz MYNAPNRARFMTSZ-AGIUHOORSA-N 2 1 255.362 1.493 20 5 CDBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000351858364 362010437 /nfs/dbraw/zinc/01/04/37/362010437.db2.gz YUEDRTRJPBVOAL-NEPJUHHUSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000124624550 351359546 /nfs/dbraw/zinc/35/95/46/351359546.db2.gz GZHVSWXGLBPOAC-AAEUAGOBSA-N 2 1 263.341 1.949 20 5 CDBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000351856265 370225107 /nfs/dbraw/zinc/22/51/07/370225107.db2.gz VBSIDSXDUJUPAY-NEPJUHHUSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576560 375290498 /nfs/dbraw/zinc/29/04/98/375290498.db2.gz PXTJVIOTSMQCNR-YPMHNXCESA-N 2 1 263.341 1.806 20 5 CDBDMP CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[NH2+]CC1 ZINC000435616535 248177377 /nfs/dbraw/zinc/17/73/77/248177377.db2.gz KUTHKQFVNSAPMB-GFCCVEGCSA-N 2 1 281.360 1.255 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886872023 754649932 /nfs/dbraw/zinc/64/99/32/754649932.db2.gz HFLOILMUCYCVTL-CQSZACIVSA-N 2 1 293.371 1.257 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886872023 754649941 /nfs/dbraw/zinc/64/99/41/754649941.db2.gz HFLOILMUCYCVTL-CQSZACIVSA-N 2 1 293.371 1.257 20 5 CDBDMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957327 755880779 /nfs/dbraw/zinc/88/07/79/755880779.db2.gz AYRNLWZKLSHFRO-BXKDBHETSA-N 2 1 266.345 1.811 20 5 CDBDMP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923279572 756969412 /nfs/dbraw/zinc/96/94/12/756969412.db2.gz QEEMRQDZMZAVMK-AWEZNQCLSA-N 2 1 279.340 1.312 20 5 CDBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923279572 756969422 /nfs/dbraw/zinc/96/94/22/756969422.db2.gz QEEMRQDZMZAVMK-AWEZNQCLSA-N 2 1 279.340 1.312 20 5 CDBDMP Cc1c(C[NH2+]CCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000401761168 940879425 /nfs/dbraw/zinc/87/94/25/940879425.db2.gz VHCPISBQGBHRNE-UHFFFAOYSA-N 2 1 274.324 1.969 20 5 CDBDMP [NH3+]CCc1c[nH+]cn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564905 947528743 /nfs/dbraw/zinc/52/87/43/947528743.db2.gz BLHBBQRSRUGYAE-CQSZACIVSA-N 2 1 272.308 1.632 20 5 CDBDMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581505 969436458 /nfs/dbraw/zinc/43/64/58/969436458.db2.gz ARUOPYCGXPLHLE-WFASDCNBSA-N 2 1 293.367 1.560 20 5 CDBDMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592473863 342698988 /nfs/dbraw/zinc/69/89/88/342698988.db2.gz RZCXJBFQVOTHLJ-UHFFFAOYSA-N 2 1 280.328 1.204 20 5 CDBDMP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000603430556 344802976 /nfs/dbraw/zinc/80/29/76/344802976.db2.gz AFDOKMRKSROPFH-QWHCGFSZSA-N 2 1 279.340 1.819 20 5 CDBDMP CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000435614087 248177369 /nfs/dbraw/zinc/17/73/69/248177369.db2.gz LWOSWKYYZKZGQY-GFCCVEGCSA-N 2 1 281.360 1.255 20 5 CDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[NH2+]2)n1 ZINC000423235890 285168175 /nfs/dbraw/zinc/16/81/75/285168175.db2.gz NMKCDOGHAXGPAN-RWMBFGLXSA-N 2 1 293.371 1.617 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449243589 390821897 /nfs/dbraw/zinc/82/18/97/390821897.db2.gz LWHCOSQRDKBWLE-SWLSCSKDSA-N 2 1 293.367 1.182 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449243589 390821899 /nfs/dbraw/zinc/82/18/99/390821899.db2.gz LWHCOSQRDKBWLE-SWLSCSKDSA-N 2 1 293.367 1.182 20 5 CDBDMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430637889 393102861 /nfs/dbraw/zinc/10/28/61/393102861.db2.gz DJCMPINXJCWAHX-ZDUSSCGKSA-N 2 1 293.367 1.905 20 5 CDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430637889 393102865 /nfs/dbraw/zinc/10/28/65/393102865.db2.gz DJCMPINXJCWAHX-ZDUSSCGKSA-N 2 1 293.367 1.905 20 5 CDBDMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261775653 140388042 /nfs/dbraw/zinc/38/80/42/140388042.db2.gz WLNLNCRCTDDACX-AVGNSLFASA-N 2 1 291.351 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261775653 140388043 /nfs/dbraw/zinc/38/80/43/140388043.db2.gz WLNLNCRCTDDACX-AVGNSLFASA-N 2 1 291.351 1.773 20 5 CDBDMP C[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000147659370 620852592 /nfs/dbraw/zinc/85/25/92/620852592.db2.gz IPACLLWKGOCUCL-AWEZNQCLSA-N 2 1 279.340 1.312 20 5 CDBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923330293 770841479 /nfs/dbraw/zinc/84/14/79/770841479.db2.gz BOYQKPOOMFZVHP-VHRBIJSZSA-N 2 1 279.340 1.297 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000923481808 772137264 /nfs/dbraw/zinc/13/72/64/772137264.db2.gz MAKDFMRCIRFRRZ-SNVBAGLBSA-N 2 1 290.323 1.907 20 5 CDBDMP C[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000886839465 773046814 /nfs/dbraw/zinc/04/68/14/773046814.db2.gz FLXRKJLJHKZTNV-WCQYABFASA-N 2 1 278.356 1.939 20 5 CDBDMP C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000886839465 773046817 /nfs/dbraw/zinc/04/68/17/773046817.db2.gz FLXRKJLJHKZTNV-WCQYABFASA-N 2 1 278.356 1.939 20 5 CDBDMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169028958 927634335 /nfs/dbraw/zinc/63/43/35/927634335.db2.gz SZENSIUXTFWQBQ-ZIAGYGMSSA-N 2 1 269.389 1.850 20 5 CDBDMP CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCCC[N+](C)(C)C)C[C@H]1[N@H+]2C ZINC001224621028 941777323 /nfs/dbraw/zinc/77/73/23/941777323.db2.gz INCYMQKYQXYMET-CAOSSQGBSA-N 2 1 299.435 1.266 20 5 CDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246455066 948183223 /nfs/dbraw/zinc/18/32/23/948183223.db2.gz WHFKXPFAAYWHAV-ZDUSSCGKSA-N 3 1 294.399 1.444 20 5 CDBDMP C[NH2+]CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000083395657 357210142 /nfs/dbraw/zinc/21/01/42/357210142.db2.gz QHBJELPBCMYKKD-UHFFFAOYSA-N 2 1 253.302 1.303 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359461396 158254925 /nfs/dbraw/zinc/25/49/25/158254925.db2.gz YRMQHQBJYUUGFI-STQMWFEESA-N 2 1 261.325 1.554 20 5 CDBDMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000904221473 626223608 /nfs/dbraw/zinc/22/36/08/626223608.db2.gz SSEHGCYWBWDUJB-CYBMUJFWSA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905402482 626797639 /nfs/dbraw/zinc/79/76/39/626797639.db2.gz ZMMPMOKTWJXGNA-UKRRQHHQSA-N 2 1 277.368 1.621 20 5 CDBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905402482 626797643 /nfs/dbraw/zinc/79/76/43/626797643.db2.gz ZMMPMOKTWJXGNA-UKRRQHHQSA-N 2 1 277.368 1.621 20 5 CDBDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158622031 1178224936 /nfs/dbraw/zinc/22/49/36/1178224936.db2.gz UMYIAPRCOWXMAA-DOMZBBRYSA-N 2 1 293.367 1.560 20 5 CDBDMP COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000723690678 775685765 /nfs/dbraw/zinc/68/57/65/775685765.db2.gz VXWKWNPASMXUIP-LLVKDONJSA-N 2 1 279.340 1.774 20 5 CDBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000873105675 777861504 /nfs/dbraw/zinc/86/15/04/777861504.db2.gz ALOVQZBAGKDPQV-HNNXBMFYSA-N 2 1 293.367 1.368 20 5 CDBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000873105675 777861506 /nfs/dbraw/zinc/86/15/06/777861506.db2.gz ALOVQZBAGKDPQV-HNNXBMFYSA-N 2 1 293.367 1.368 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923520379 778964733 /nfs/dbraw/zinc/96/47/33/778964733.db2.gz XTSUIWMDZAOQRX-QWHCGFSZSA-N 2 1 291.351 1.515 20 5 CDBDMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169039598 927651356 /nfs/dbraw/zinc/65/13/56/927651356.db2.gz REXKONOTLLJSAL-UONOGXRCSA-N 2 1 281.400 1.850 20 5 CDBDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169054628 927672009 /nfs/dbraw/zinc/67/20/09/927672009.db2.gz NBEMLNIGHOHWOC-IGQOVBAYSA-N 2 1 267.373 1.315 20 5 CDBDMP C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CC[NH3+] ZINC000593733973 342830574 /nfs/dbraw/zinc/83/05/74/342830574.db2.gz PPURBMXHFYJSHS-WCQYABFASA-N 2 1 281.360 1.241 20 5 CDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000596647771 343370634 /nfs/dbraw/zinc/37/06/34/343370634.db2.gz BGAWBDCGGXPTHZ-SRVKXCTJSA-N 2 1 279.344 1.227 20 5 CDBDMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654659 343372375 /nfs/dbraw/zinc/37/23/75/343372375.db2.gz LHSUXDJNTNNSMF-QJPTWQEYSA-N 2 1 281.360 1.473 20 5 CDBDMP C[N@@H+](CCCn1ccnc1)CCn1ccc([N+](=O)[O-])n1 ZINC000181060486 357308632 /nfs/dbraw/zinc/30/86/32/357308632.db2.gz WLIKDTRVSSUAOD-UHFFFAOYSA-N 2 1 278.316 1.010 20 5 CDBDMP CN(c1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)C(C)(C)C[NH3+] ZINC001170060162 929244035 /nfs/dbraw/zinc/24/40/35/929244035.db2.gz JRVQZAJJFMSLHV-UHFFFAOYSA-N 2 1 292.383 1.756 20 5 CDBDMP CN(c1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)C(C)(C)C[NH3+] ZINC001170060162 929244045 /nfs/dbraw/zinc/24/40/45/929244045.db2.gz JRVQZAJJFMSLHV-UHFFFAOYSA-N 2 1 292.383 1.756 20 5 CDBDMP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCCC[N+](C)(C)C ZINC001224621230 941776914 /nfs/dbraw/zinc/77/69/14/941776914.db2.gz ONKHMALYCWHPBQ-FICVDOATSA-N 2 1 255.426 1.830 20 5 CDBDMP C[N@H+]1CC[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572070 947529759 /nfs/dbraw/zinc/52/97/59/947529759.db2.gz HVLUIBPWJQJZNV-RISCZKNCSA-N 2 1 275.352 1.603 20 5 CDBDMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762542 960557158 /nfs/dbraw/zinc/55/71/58/960557158.db2.gz CSYASJNPVMCGHG-FZMZJTMJSA-N 2 1 279.340 1.170 20 5 CDBDMP C[C@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000601107556 342466818 /nfs/dbraw/zinc/46/68/18/342466818.db2.gz BBLOKEXGMJHKDV-SNVBAGLBSA-N 2 1 274.324 1.927 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332260 244096160 /nfs/dbraw/zinc/09/61/60/244096160.db2.gz RTCNQBOYAZDXMU-OLZOCXBDSA-N 2 1 293.371 1.113 20 5 CDBDMP C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420406031 244207507 /nfs/dbraw/zinc/20/75/07/244207507.db2.gz NIFWZHKCFSBNML-CHWSQXEVSA-N 2 1 293.367 1.890 20 5 CDBDMP [NH3+]C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347178354 374413859 /nfs/dbraw/zinc/41/38/59/374413859.db2.gz SOGOXUSEDZJHDF-PYEVWLCESA-N 2 1 261.325 1.889 20 5 CDBDMP [NH3+]C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347178354 374413865 /nfs/dbraw/zinc/41/38/65/374413865.db2.gz SOGOXUSEDZJHDF-PYEVWLCESA-N 2 1 261.325 1.889 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+](C)C ZINC000453098628 252268221 /nfs/dbraw/zinc/26/82/21/252268221.db2.gz JQSQEHCICIHLGB-WCQYABFASA-N 2 1 281.356 1.038 20 5 CDBDMP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000291693937 533670413 /nfs/dbraw/zinc/67/04/13/533670413.db2.gz JKLMWTHTIOYKLM-NSHDSACASA-N 2 1 281.356 1.891 20 5 CDBDMP Cc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261789438 148983370 /nfs/dbraw/zinc/98/33/70/148983370.db2.gz QITYNOXRCOAIGT-JSGCOSHPSA-N 2 1 275.352 1.945 20 5 CDBDMP Cc1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261789438 148983372 /nfs/dbraw/zinc/98/33/72/148983372.db2.gz QITYNOXRCOAIGT-JSGCOSHPSA-N 2 1 275.352 1.945 20 5 CDBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148957 176044538 /nfs/dbraw/zinc/04/45/38/176044538.db2.gz HNWGQCRVDMKALK-ZDUSSCGKSA-N 2 1 292.383 1.493 20 5 CDBDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433709 523835964 /nfs/dbraw/zinc/83/59/64/523835964.db2.gz XHMMKNUWTPAYNT-CQSZACIVSA-N 2 1 293.371 1.209 20 5 CDBDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433709 523835968 /nfs/dbraw/zinc/83/59/68/523835968.db2.gz XHMMKNUWTPAYNT-CQSZACIVSA-N 2 1 293.371 1.209 20 5 CDBDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433709 523835972 /nfs/dbraw/zinc/83/59/72/523835972.db2.gz XHMMKNUWTPAYNT-CQSZACIVSA-N 2 1 293.371 1.209 20 5 CDBDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433709 523835976 /nfs/dbraw/zinc/83/59/76/523835976.db2.gz XHMMKNUWTPAYNT-CQSZACIVSA-N 2 1 293.371 1.209 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392165 923799588 /nfs/dbraw/zinc/79/95/88/923799588.db2.gz HKAHQXOUFRIKON-OSMZGAPFSA-N 2 1 279.340 1.440 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392165 923799591 /nfs/dbraw/zinc/79/95/91/923799591.db2.gz HKAHQXOUFRIKON-OSMZGAPFSA-N 2 1 279.340 1.440 20 5 CDBDMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992480 927601254 /nfs/dbraw/zinc/60/12/54/927601254.db2.gz JYQYGTFIZGLBKN-OCCSQVGLSA-N 2 1 285.388 1.132 20 5 CDBDMP C[N@H+](CCOCC[NH3+])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000600735695 342246292 /nfs/dbraw/zinc/24/62/92/342246292.db2.gz NLSUQBJKZZSXRK-UHFFFAOYSA-N 2 1 294.311 1.143 20 5 CDBDMP C[N@@H+](CCOCC[NH3+])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000600735695 342246293 /nfs/dbraw/zinc/24/62/93/342246293.db2.gz NLSUQBJKZZSXRK-UHFFFAOYSA-N 2 1 294.311 1.143 20 5 CDBDMP CCC[NH+]1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174855401 379593079 /nfs/dbraw/zinc/59/30/79/379593079.db2.gz VZJLGNXEPSPHLZ-UHFFFAOYSA-N 2 1 295.387 1.598 20 5 CDBDMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327040 390826218 /nfs/dbraw/zinc/82/62/18/390826218.db2.gz NHIWLSXCJXKUGN-VWYCJHECSA-N 2 1 267.333 1.212 20 5 CDBDMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430628033 393102295 /nfs/dbraw/zinc/10/22/95/393102295.db2.gz NARNVZXFIXEKOS-GFCCVEGCSA-N 2 1 279.340 1.644 20 5 CDBDMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000261755671 140385079 /nfs/dbraw/zinc/38/50/79/140385079.db2.gz QPWVYDJYZPHTCW-AWEZNQCLSA-N 2 1 279.340 1.644 20 5 CDBDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269602 148032521 /nfs/dbraw/zinc/03/25/21/148032521.db2.gz WHJFJXCXGVDIFX-CYBMUJFWSA-N 2 1 295.387 1.598 20 5 CDBDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269602 148032525 /nfs/dbraw/zinc/03/25/25/148032525.db2.gz WHJFJXCXGVDIFX-CYBMUJFWSA-N 2 1 295.387 1.598 20 5 CDBDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269602 148032528 /nfs/dbraw/zinc/03/25/28/148032528.db2.gz WHJFJXCXGVDIFX-CYBMUJFWSA-N 2 1 295.387 1.598 20 5 CDBDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269602 148032532 /nfs/dbraw/zinc/03/25/32/148032532.db2.gz WHJFJXCXGVDIFX-CYBMUJFWSA-N 2 1 295.387 1.598 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000423314471 275037928 /nfs/dbraw/zinc/03/79/28/275037928.db2.gz HJBDLYOXEXPBOC-AWEZNQCLSA-N 2 1 261.325 1.781 20 5 CDBDMP C[C@@H](C[NH3+])[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841067179 618679999 /nfs/dbraw/zinc/67/99/99/618679999.db2.gz WTCWELIOTCSJOH-NSHDSACASA-N 2 1 278.356 1.500 20 5 CDBDMP O=[N+]([O-])CC[N@@H+]1Cc2ccccc2OC2(CC[NH2+]CC2)C1 ZINC001580873372 1172556782 /nfs/dbraw/zinc/55/67/82/1172556782.db2.gz TWCYAJFEATYBIZ-UHFFFAOYSA-N 2 1 291.351 1.280 20 5 CDBDMP O=[N+]([O-])CC[N@H+]1Cc2ccccc2OC2(CC[NH2+]CC2)C1 ZINC001580873372 1172556791 /nfs/dbraw/zinc/55/67/91/1172556791.db2.gz TWCYAJFEATYBIZ-UHFFFAOYSA-N 2 1 291.351 1.280 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285194 787959267 /nfs/dbraw/zinc/95/92/67/787959267.db2.gz AJJDYFHMDQDKDY-FZMZJTMJSA-N 2 1 279.340 1.170 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285194 787959301 /nfs/dbraw/zinc/95/93/01/787959301.db2.gz AJJDYFHMDQDKDY-FZMZJTMJSA-N 2 1 279.340 1.170 20 5 CDBDMP C[NH2+]CCNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001167725747 899420520 /nfs/dbraw/zinc/42/05/20/899420520.db2.gz IVJWGNCLGVEQKQ-UHFFFAOYSA-N 2 1 264.329 1.214 20 5 CDBDMP C[NH2+]CCNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001167725747 899420531 /nfs/dbraw/zinc/42/05/31/899420531.db2.gz IVJWGNCLGVEQKQ-UHFFFAOYSA-N 2 1 264.329 1.214 20 5 CDBDMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923352271 923770762 /nfs/dbraw/zinc/77/07/62/923770762.db2.gz CLJGQGAHWFQEQJ-HIFRSBDPSA-N 2 1 293.367 1.832 20 5 CDBDMP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601163042 359154737 /nfs/dbraw/zinc/15/47/37/359154737.db2.gz AKEUXZJDCTZDSA-JTQLQIEISA-N 2 1 274.324 1.927 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422722663 245179755 /nfs/dbraw/zinc/17/97/55/245179755.db2.gz YKSPKDMEDKZGMG-NXEZZACHSA-N 2 1 267.329 1.819 20 5 CDBDMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000113513612 374261184 /nfs/dbraw/zinc/26/11/84/374261184.db2.gz ADNBJJOMCMWTHQ-CYBMUJFWSA-N 2 1 293.367 1.857 20 5 CDBDMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000113513612 374261190 /nfs/dbraw/zinc/26/11/90/374261190.db2.gz ADNBJJOMCMWTHQ-CYBMUJFWSA-N 2 1 293.367 1.857 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+](C)C ZINC000453098630 252269007 /nfs/dbraw/zinc/26/90/07/252269007.db2.gz JQSQEHCICIHLGB-YPMHNXCESA-N 2 1 281.356 1.038 20 5 CDBDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000158819963 390941198 /nfs/dbraw/zinc/94/11/98/390941198.db2.gz JWIWRPJQSGFBKI-OLZOCXBDSA-N 2 1 293.371 1.207 20 5 CDBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000158819963 390941199 /nfs/dbraw/zinc/94/11/99/390941199.db2.gz JWIWRPJQSGFBKI-OLZOCXBDSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000158819963 390941200 /nfs/dbraw/zinc/94/12/00/390941200.db2.gz JWIWRPJQSGFBKI-OLZOCXBDSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000158819963 390941201 /nfs/dbraw/zinc/94/12/01/390941201.db2.gz JWIWRPJQSGFBKI-OLZOCXBDSA-N 2 1 293.371 1.207 20 5 CDBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000442771947 392494599 /nfs/dbraw/zinc/49/45/99/392494599.db2.gz UGNZIXDRSWRSMZ-NWDGAFQWSA-N 2 1 279.340 1.643 20 5 CDBDMP [NH3+]CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423180159 392958188 /nfs/dbraw/zinc/95/81/88/392958188.db2.gz IHDPAWAZJXVGPO-DGCLKSJQSA-N 2 1 263.341 1.854 20 5 CDBDMP [NH3+]C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430959399 393107713 /nfs/dbraw/zinc/10/77/13/393107713.db2.gz YYRBRFJXXHSKLA-LLVKDONJSA-N 2 1 265.313 1.254 20 5 CDBDMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368532 274216514 /nfs/dbraw/zinc/21/65/14/274216514.db2.gz NHIWLSXCJXKUGN-HBNTYKKESA-N 2 1 267.333 1.212 20 5 CDBDMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967497 1161996270 /nfs/dbraw/zinc/99/62/70/1161996270.db2.gz QFFCBAWLHYUNRX-GHMZBOCLSA-N 2 1 252.318 1.311 20 5 CDBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925514467 617421476 /nfs/dbraw/zinc/42/14/76/617421476.db2.gz ONOULVFHUTXLLZ-RDUHTLEXSA-N 2 1 287.363 1.723 20 5 CDBDMP C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000886839466 789904363 /nfs/dbraw/zinc/90/43/63/789904363.db2.gz FLXRKJLJHKZTNV-YPMHNXCESA-N 2 1 278.356 1.939 20 5 CDBDMP C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000886839466 789904367 /nfs/dbraw/zinc/90/43/67/789904367.db2.gz FLXRKJLJHKZTNV-YPMHNXCESA-N 2 1 278.356 1.939 20 5 CDBDMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817960242 796217916 /nfs/dbraw/zinc/21/79/16/796217916.db2.gz KXOAUIUEAJUKMB-MRVPVSSYSA-N 2 1 252.318 1.565 20 5 CDBDMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019057 927660138 /nfs/dbraw/zinc/66/01/38/927660138.db2.gz GNQJTLZKSCWAPS-CRWXNKLISA-N 2 1 267.373 1.315 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246185540 948016970 /nfs/dbraw/zinc/01/69/70/948016970.db2.gz BQAQEMOCSUZVBL-CHWSQXEVSA-N 2 1 261.325 1.404 20 5 CDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000600712842 342243866 /nfs/dbraw/zinc/24/38/66/342243866.db2.gz BGAWBDCGGXPTHZ-UTUOFQBUSA-N 2 1 279.344 1.227 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360542633 357436573 /nfs/dbraw/zinc/43/65/73/357436573.db2.gz DBNRNFWGQSVKEO-HNNXBMFYSA-N 2 1 291.351 1.659 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360542633 357436579 /nfs/dbraw/zinc/43/65/79/357436579.db2.gz DBNRNFWGQSVKEO-HNNXBMFYSA-N 2 1 291.351 1.659 20 5 CDBDMP [NH3+]C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000033439835 359700452 /nfs/dbraw/zinc/70/04/52/359700452.db2.gz YCDRSTGIKYWONX-UHFFFAOYSA-N 2 1 265.313 1.397 20 5 CDBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000422638197 245145437 /nfs/dbraw/zinc/14/54/37/245145437.db2.gz PXKZKJSIPKPLPM-UTUOFQBUSA-N 2 1 281.360 1.097 20 5 CDBDMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430619961 393103077 /nfs/dbraw/zinc/10/30/77/393103077.db2.gz GYIBQTXPIGNFNO-GFCCVEGCSA-N 2 1 279.340 1.644 20 5 CDBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1[C@H]2C[NH2+]C[C@@H]12 ZINC000415045663 280739654 /nfs/dbraw/zinc/73/96/54/280739654.db2.gz WMKRCZVEHOCRDN-LPHYITNZSA-N 2 1 259.309 1.415 20 5 CDBDMP NCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956636 927578263 /nfs/dbraw/zinc/57/82/63/927578263.db2.gz CBZLWWZQJURPFT-GJZGRUSLSA-N 2 1 277.368 1.893 20 5 CDBDMP C[C@H]([NH2+]C[C@@]1(O)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573571580 1170695419 /nfs/dbraw/zinc/69/54/19/1170695419.db2.gz JOTFWADVNGGUTB-SMDDNHRTSA-N 2 1 279.340 1.360 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000351494097 360611909 /nfs/dbraw/zinc/61/19/09/360611909.db2.gz NHUJMMGZRZHHQS-JHJVBQTASA-N 2 1 291.351 1.643 20 5 CDBDMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414954615 391220836 /nfs/dbraw/zinc/22/08/36/391220836.db2.gz STZLBVSFQNTUHZ-CMPLNLGQSA-N 2 1 279.340 1.834 20 5 CDBDMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414954623 391220972 /nfs/dbraw/zinc/22/09/72/391220972.db2.gz STZLBVSFQNTUHZ-ZYHUDNBSSA-N 2 1 279.340 1.834 20 5 CDBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580602 279262266 /nfs/dbraw/zinc/26/22/66/279262266.db2.gz AEIMTPRJZZFPLZ-DOMZBBRYSA-N 2 1 293.367 1.903 20 5 CDBDMP C[NH2+]CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841038107 812065066 /nfs/dbraw/zinc/06/50/66/812065066.db2.gz VWJUAHRCVYOXDU-UHFFFAOYSA-N 2 1 278.356 1.373 20 5 CDBDMP COCC[N@H+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873012959 817040156 /nfs/dbraw/zinc/04/01/56/817040156.db2.gz ZSXQQOPMBUBMFM-UHFFFAOYSA-N 2 1 295.383 1.961 20 5 CDBDMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873012959 817040169 /nfs/dbraw/zinc/04/01/69/817040169.db2.gz ZSXQQOPMBUBMFM-UHFFFAOYSA-N 2 1 295.383 1.961 20 5 CDBDMP Cn1cc(C[N@@H+](C)CCCCCC[NH3+])c([N+](=O)[O-])n1 ZINC000883441031 817618663 /nfs/dbraw/zinc/61/86/63/817618663.db2.gz GASDALSWEVBVLA-UHFFFAOYSA-N 2 1 269.349 1.279 20 5 CDBDMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000923486873 817694775 /nfs/dbraw/zinc/69/47/75/817694775.db2.gz UYIXYIZWDCTCRT-LBPRGKRZSA-N 2 1 279.340 1.644 20 5 CDBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(C[NH3+])CC2)c1F ZINC001173182008 912281565 /nfs/dbraw/zinc/28/15/65/912281565.db2.gz XWIWHXYRVNWRGZ-SECBINFHSA-N 2 1 297.330 1.754 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001169036573 927647147 /nfs/dbraw/zinc/64/71/47/927647147.db2.gz GSVSPCTUPHGUSE-RYUDHWBXSA-N 2 1 264.329 1.187 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001169036573 927647151 /nfs/dbraw/zinc/64/71/51/927647151.db2.gz GSVSPCTUPHGUSE-RYUDHWBXSA-N 2 1 264.329 1.187 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246613383 948346385 /nfs/dbraw/zinc/34/63/85/948346385.db2.gz YUPLQXTWMPYNLY-RDBSUJKOSA-N 2 1 267.373 1.650 20 5 CDBDMP C[NH2+]CCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000420393238 244194272 /nfs/dbraw/zinc/19/42/72/244194272.db2.gz XDRMUKOPQZJAAK-UHFFFAOYSA-N 2 1 267.329 1.515 20 5 CDBDMP C[NH2+]CCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000420393238 244194275 /nfs/dbraw/zinc/19/42/75/244194275.db2.gz XDRMUKOPQZJAAK-UHFFFAOYSA-N 2 1 267.329 1.515 20 5 CDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000423204994 285168921 /nfs/dbraw/zinc/16/89/21/285168921.db2.gz BGAWBDCGGXPTHZ-QJPTWQEYSA-N 2 1 279.344 1.227 20 5 CDBDMP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261596491 140360333 /nfs/dbraw/zinc/36/03/33/140360333.db2.gz AGUMTOSXKQWNQO-OAHLLOKOSA-N 2 1 290.367 1.074 20 5 CDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C[NH3+] ZINC001173211146 912332278 /nfs/dbraw/zinc/33/22/78/912332278.db2.gz PVQLTLNCPOJUBP-SNVBAGLBSA-N 2 1 251.330 1.853 20 5 CDBDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169029017 927636322 /nfs/dbraw/zinc/63/63/22/927636322.db2.gz TWHLRGVKGNBISE-KGLIPLIRSA-N 2 1 269.389 1.705 20 5 CDBDMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046729 927667065 /nfs/dbraw/zinc/66/70/65/927667065.db2.gz MIQDLCCBGQKLJV-QWHCGFSZSA-N 2 1 257.378 1.705 20 5 CDBDMP CC(C)(C[NH3+])C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001575315352 1171151136 /nfs/dbraw/zinc/15/11/36/1171151136.db2.gz OLXBLWKRAAMHPD-UHFFFAOYSA-N 2 1 277.328 1.546 20 5 CDBDMP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001578471795 1171927123 /nfs/dbraw/zinc/92/71/23/1171927123.db2.gz MTCXXCFGBHLTMX-UHFFFAOYSA-N 2 1 296.346 1.071 20 5 CDBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001578471795 1171927130 /nfs/dbraw/zinc/92/71/30/1171927130.db2.gz MTCXXCFGBHLTMX-UHFFFAOYSA-N 2 1 296.346 1.071 20 5 CDBDMP C[N@@H+](CCOCC[NH3+])Cc1cccc([N+](=O)[O-])c1 ZINC000038437228 344995429 /nfs/dbraw/zinc/99/54/29/344995429.db2.gz NMWHWITVGHWSMP-UHFFFAOYSA-N 2 1 253.302 1.002 20 5 CDBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000112839620 366159994 /nfs/dbraw/zinc/15/99/94/366159994.db2.gz ASELPBHSONJWDK-HUUCEWRRSA-N 2 1 291.351 1.548 20 5 CDBDMP O=[N+]([O-])c1ccccc1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839640 366160360 /nfs/dbraw/zinc/16/03/60/366160360.db2.gz IEHVBBOTWJJUCH-KGLIPLIRSA-N 2 1 291.351 1.548 20 5 CDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CCC[NH2+]C2)n1 ZINC000423189161 374372025 /nfs/dbraw/zinc/37/20/25/374372025.db2.gz MRLYJRRUBZJRKM-FRRDWIJNSA-N 2 1 293.371 1.617 20 5 CDBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000442771945 392493633 /nfs/dbraw/zinc/49/36/33/392493633.db2.gz UGNZIXDRSWRSMZ-NEPJUHHUSA-N 2 1 279.340 1.643 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261632852 140366775 /nfs/dbraw/zinc/36/67/75/140366775.db2.gz BJIMMQXFZAOECP-HNNXBMFYSA-N 2 1 275.352 1.823 20 5 CDBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925628995 617576314 /nfs/dbraw/zinc/57/63/14/617576314.db2.gz JJLCPYRQNQPTEB-FHXAZYNBSA-N 2 1 287.363 1.723 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818989182 825621450 /nfs/dbraw/zinc/62/14/50/825621450.db2.gz KGCFBQTVCPTWIV-AWEZNQCLSA-N 2 1 290.323 1.423 20 5 CDBDMP C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001170893534 930686791 /nfs/dbraw/zinc/68/67/91/930686791.db2.gz CABIFLKICGNVCW-SNVBAGLBSA-N 2 1 278.356 1.732 20 5 CDBDMP C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001170893534 930686794 /nfs/dbraw/zinc/68/67/94/930686794.db2.gz CABIFLKICGNVCW-SNVBAGLBSA-N 2 1 278.356 1.732 20 5 CDBDMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246447282 948178144 /nfs/dbraw/zinc/17/81/44/948178144.db2.gz VLEZAJJCMAXUQB-QMTHXVAHSA-N 2 1 291.351 1.486 20 5 CDBDMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001246578535 948304887 /nfs/dbraw/zinc/30/48/87/948304887.db2.gz RRXGGLPQJUZPNA-MCIONIFRSA-N 2 1 269.389 1.883 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246641388 948377996 /nfs/dbraw/zinc/37/79/96/948377996.db2.gz DWZINMHWQHZZFE-HZSPNIEDSA-N 2 1 267.373 1.650 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246641388 948378002 /nfs/dbraw/zinc/37/80/02/948378002.db2.gz DWZINMHWQHZZFE-HZSPNIEDSA-N 2 1 267.373 1.650 20 5 CDBDMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859298 948484975 /nfs/dbraw/zinc/48/49/75/948484975.db2.gz JIMOVCDLYLWLNP-SNPRPXQTSA-N 2 1 273.336 1.485 20 5 CDBDMP CC[N@@H+](C)C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000580842060 363948684 /nfs/dbraw/zinc/94/86/84/363948684.db2.gz VAPCSJVWXAEGFE-LBPRGKRZSA-N 2 1 295.383 1.732 20 5 CDBDMP [NH3+]C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814060 241399269 /nfs/dbraw/zinc/39/92/69/241399269.db2.gz YXJVWHGZDSOVGH-HSBHDXMMSA-N 2 1 261.325 1.935 20 5 CDBDMP C[NH2+]CCC[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000420384163 244181561 /nfs/dbraw/zinc/18/15/61/244181561.db2.gz DBHAQHAWCYLPCT-UHFFFAOYSA-N 2 1 297.355 1.524 20 5 CDBDMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000420384163 244181567 /nfs/dbraw/zinc/18/15/67/244181567.db2.gz DBHAQHAWCYLPCT-UHFFFAOYSA-N 2 1 297.355 1.524 20 5 CDBDMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414840805 370496647 /nfs/dbraw/zinc/49/66/47/370496647.db2.gz NMKMDILKFPBBPY-JTQLQIEISA-N 2 1 267.329 1.549 20 5 CDBDMP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261596489 140360543 /nfs/dbraw/zinc/36/05/43/140360543.db2.gz AGUMTOSXKQWNQO-HNNXBMFYSA-N 2 1 290.367 1.074 20 5 CDBDMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923480332 832524047 /nfs/dbraw/zinc/52/40/47/832524047.db2.gz XFNPJRPZITUIEB-FZMZJTMJSA-N 2 1 279.340 1.299 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285199 832828076 /nfs/dbraw/zinc/82/80/76/832828076.db2.gz AJJDYFHMDQDKDY-SMDDNHRTSA-N 2 1 279.340 1.170 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285199 832828080 /nfs/dbraw/zinc/82/80/80/832828080.db2.gz AJJDYFHMDQDKDY-SMDDNHRTSA-N 2 1 279.340 1.170 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246448635 948179503 /nfs/dbraw/zinc/17/95/03/948179503.db2.gz ZOFQGTDKFJNFHZ-AAEUAGOBSA-N 2 1 259.309 1.014 20 5 CDBDMP C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CC[NH3+] ZINC000593733972 342830668 /nfs/dbraw/zinc/83/06/68/342830668.db2.gz PPURBMXHFYJSHS-DGCLKSJQSA-N 2 1 281.360 1.241 20 5 CDBDMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414849335 370592336 /nfs/dbraw/zinc/59/23/36/370592336.db2.gz XZXWPCRLXKCCGE-SNVBAGLBSA-N 2 1 251.330 1.848 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428040578 247234365 /nfs/dbraw/zinc/23/43/65/247234365.db2.gz WRUOGAWMRXUPRG-SWLSCSKDSA-N 2 1 291.351 1.657 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428040578 247234370 /nfs/dbraw/zinc/23/43/70/247234370.db2.gz WRUOGAWMRXUPRG-SWLSCSKDSA-N 2 1 291.351 1.657 20 5 CDBDMP C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430919778 390942343 /nfs/dbraw/zinc/94/23/43/390942343.db2.gz MCZLIPLFAKDQOX-SMDDNHRTSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430919778 390942344 /nfs/dbraw/zinc/94/23/44/390942344.db2.gz MCZLIPLFAKDQOX-SMDDNHRTSA-N 2 1 279.340 1.643 20 5 CDBDMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000923485290 842312842 /nfs/dbraw/zinc/31/28/42/842312842.db2.gz HABKNIDHGIYXTD-LBPRGKRZSA-N 2 1 279.340 1.644 20 5 CDBDMP C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCC([NH3+])CC1 ZINC001168975728 927598883 /nfs/dbraw/zinc/59/88/83/927598883.db2.gz XATMGWMMAUIBPF-WTIISPKJSA-N 2 1 255.362 1.634 20 5 CDBDMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168996092 927604007 /nfs/dbraw/zinc/60/40/07/927604007.db2.gz UYOCXWBWIUDTIN-XDQVBPFNSA-N 2 1 297.399 1.403 20 5 CDBDMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001118122177 937593976 /nfs/dbraw/zinc/59/39/76/937593976.db2.gz QNALOOSHLXFLOE-ZJUUUORDSA-N 2 1 266.345 1.826 20 5 CDBDMP Cc1cc([N+](=O)[O-])cnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160509411 938792299 /nfs/dbraw/zinc/79/22/99/938792299.db2.gz RXVUVSXMDDGYBD-AWEZNQCLSA-N 2 1 291.355 1.133 20 5 CDBDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420383578 244182983 /nfs/dbraw/zinc/18/29/83/244182983.db2.gz BXEKTJFHOWAOTJ-UHFFFAOYSA-N 2 1 294.355 1.465 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000351477537 375300918 /nfs/dbraw/zinc/30/09/18/375300918.db2.gz NLTDELJABWIZAK-NILFDRSVSA-N 2 1 291.351 1.643 20 5 CDBDMP CC[NH2+]CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000430569926 393100927 /nfs/dbraw/zinc/10/09/27/393100927.db2.gz YAEJJZYLJVMHPO-UHFFFAOYSA-N 2 1 281.360 1.150 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261798594 140390019 /nfs/dbraw/zinc/39/00/19/140390019.db2.gz RCNSUXKFVNWNBJ-ZIAGYGMSSA-N 2 1 275.352 1.679 20 5 CDBDMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000044514000 175189611 /nfs/dbraw/zinc/18/96/11/175189611.db2.gz FRWAUSOJPITNFR-UHFFFAOYSA-N 2 1 292.339 1.204 20 5 CDBDMP C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841049214 844132071 /nfs/dbraw/zinc/13/20/71/844132071.db2.gz OEQTZSXOBCIKFO-MRVPVSSYSA-N 2 1 257.721 1.933 20 5 CDBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923352269 846481826 /nfs/dbraw/zinc/48/18/26/846481826.db2.gz CLJGQGAHWFQEQJ-DZGCQCFKSA-N 2 1 293.367 1.832 20 5 CDBDMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169049005 927665303 /nfs/dbraw/zinc/66/53/03/927665303.db2.gz VRCFSHSXROKAKY-BYNSBNAKSA-N 2 1 281.400 1.705 20 5 CDBDMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169049005 927665307 /nfs/dbraw/zinc/66/53/07/927665307.db2.gz VRCFSHSXROKAKY-BYNSBNAKSA-N 2 1 281.400 1.705 20 5 CDBDMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169049005 927665317 /nfs/dbraw/zinc/66/53/17/927665317.db2.gz VRCFSHSXROKAKY-BYNSBNAKSA-N 2 1 281.400 1.705 20 5 CDBDMP C[N+](C)(C)CCO[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001224772572 941789889 /nfs/dbraw/zinc/78/98/89/941789889.db2.gz ALQDLHGSZLKESI-QGZVFWFLSA-N 2 1 293.431 1.610 20 5 CDBDMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592473825 342698541 /nfs/dbraw/zinc/69/85/41/342698541.db2.gz PVYMTXZHDMRPDX-UHFFFAOYSA-N 2 1 280.328 1.204 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000602778736 344595086 /nfs/dbraw/zinc/59/50/86/344595086.db2.gz LAHIDWRAHIMWGJ-ZDUSSCGKSA-N 2 1 295.387 1.373 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000602778736 344595087 /nfs/dbraw/zinc/59/50/87/344595087.db2.gz LAHIDWRAHIMWGJ-ZDUSSCGKSA-N 2 1 295.387 1.373 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000602778736 344595088 /nfs/dbraw/zinc/59/50/88/344595088.db2.gz LAHIDWRAHIMWGJ-ZDUSSCGKSA-N 2 1 295.387 1.373 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000602778736 344595090 /nfs/dbraw/zinc/59/50/90/344595090.db2.gz LAHIDWRAHIMWGJ-ZDUSSCGKSA-N 2 1 295.387 1.373 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420376879 374293970 /nfs/dbraw/zinc/29/39/70/374293970.db2.gz ASRQJEJRHZDTOA-JSGCOSHPSA-N 2 1 293.371 1.255 20 5 CDBDMP C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000423015309 374365994 /nfs/dbraw/zinc/36/59/94/374365994.db2.gz QTKWNHDJOREASH-FZMZJTMJSA-N 2 1 263.341 1.867 20 5 CDBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000430612658 393102378 /nfs/dbraw/zinc/10/23/78/393102378.db2.gz SDXAONVQIBHETP-UHFFFAOYSA-N 2 1 279.340 1.657 20 5 CDBDMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261775655 140388003 /nfs/dbraw/zinc/38/80/03/140388003.db2.gz WLNLNCRCTDDACX-RWMBFGLXSA-N 2 1 291.351 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261775655 140388004 /nfs/dbraw/zinc/38/80/04/140388004.db2.gz WLNLNCRCTDDACX-RWMBFGLXSA-N 2 1 291.351 1.773 20 5 CDBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000923485642 698007734 /nfs/dbraw/zinc/00/77/34/698007734.db2.gz KRUJSQXBWRKTPB-JTQLQIEISA-N 2 1 267.304 1.905 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001169036399 927644712 /nfs/dbraw/zinc/64/47/12/927644712.db2.gz FTJXFVDXQVMEBI-YPMHNXCESA-N 2 1 278.356 1.968 20 5 CDBDMP N[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001246592810 932017305 /nfs/dbraw/zinc/01/73/05/932017305.db2.gz WAUKDOUWNQQOGO-DDHJBXDOSA-N 2 1 259.325 1.193 20 5 CDBDMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001246592810 932017311 /nfs/dbraw/zinc/01/73/11/932017311.db2.gz WAUKDOUWNQQOGO-DDHJBXDOSA-N 2 1 259.325 1.193 20 5 CDBDMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001246592810 932017319 /nfs/dbraw/zinc/01/73/19/932017319.db2.gz WAUKDOUWNQQOGO-DDHJBXDOSA-N 2 1 259.325 1.193 20 5 CDBDMP C[NH+](C)/C=C/c1cc(NCC(C)(C)[NH3+])ncc1[N+](=O)[O-] ZINC001160032044 938765597 /nfs/dbraw/zinc/76/55/97/938765597.db2.gz LZHYWJMQWXNHCF-AATRIKPKSA-N 2 1 279.344 1.671 20 5 CDBDMP Cc1[nH+]ccn1CCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001163924668 939353955 /nfs/dbraw/zinc/35/39/55/939353955.db2.gz ZRCGCOIEVDGEHL-UHFFFAOYSA-N 2 1 287.323 1.815 20 5 CDBDMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572069 947530021 /nfs/dbraw/zinc/53/00/21/947530021.db2.gz HVLUIBPWJQJZNV-FZMZJTMJSA-N 2 1 275.352 1.603 20 5 CDBDMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584011 947540332 /nfs/dbraw/zinc/54/03/32/947540332.db2.gz PPFQPLBRSMXYFN-SWLSCSKDSA-N 2 1 289.379 1.993 20 5 CDBDMP C[NH+](C)CC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335882214 955079661 /nfs/dbraw/zinc/07/96/61/955079661.db2.gz TVOWYDKEINWQOF-AWEZNQCLSA-N 2 1 295.383 1.806 20 5 CDBDMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654661 343372340 /nfs/dbraw/zinc/37/23/40/343372340.db2.gz LHSUXDJNTNNSMF-SRVKXCTJSA-N 2 1 281.360 1.473 20 5 CDBDMP C[N@H+](C[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566118378 357396851 /nfs/dbraw/zinc/39/68/51/357396851.db2.gz UZTPPNVCBMEJDE-CQSZACIVSA-N 2 1 293.367 1.182 20 5 CDBDMP C[N@@H+](C[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566118378 357396855 /nfs/dbraw/zinc/39/68/55/357396855.db2.gz UZTPPNVCBMEJDE-CQSZACIVSA-N 2 1 293.367 1.182 20 5 CDBDMP [NH3+]C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000420355219 244133237 /nfs/dbraw/zinc/13/32/37/244133237.db2.gz BWLFTOWZSBXOAC-ZDUSSCGKSA-N 2 1 281.360 1.289 20 5 CDBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000420340231 244111193 /nfs/dbraw/zinc/11/11/93/244111193.db2.gz SZVNCVUHYCFSSL-UHFFFAOYSA-N 2 1 265.313 1.395 20 5 CDBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357086955 375884374 /nfs/dbraw/zinc/88/43/74/375884374.db2.gz RWTLJLHVNAVZIV-LBPRGKRZSA-N 2 1 293.371 1.150 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358311941 390564336 /nfs/dbraw/zinc/56/43/36/390564336.db2.gz AMQVMKGKBOFWSF-NEPJUHHUSA-N 2 1 279.344 1.008 20 5 CDBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000430552249 393100693 /nfs/dbraw/zinc/10/06/93/393100693.db2.gz JPNIIJLSNIONON-NSHDSACASA-N 2 1 269.349 1.097 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261672353 140373506 /nfs/dbraw/zinc/37/35/06/140373506.db2.gz GBISHFORPGRNQS-HIFRSBDPSA-N 2 1 275.352 1.821 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261672353 140373507 /nfs/dbraw/zinc/37/35/07/140373507.db2.gz GBISHFORPGRNQS-HIFRSBDPSA-N 2 1 275.352 1.821 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CC1 ZINC000423286176 279382851 /nfs/dbraw/zinc/38/28/51/279382851.db2.gz ZTSJUMKNSHMAGU-ZWNOBZJWSA-N 2 1 263.341 1.853 20 5 CDBDMP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000583636117 325213492 /nfs/dbraw/zinc/21/34/92/325213492.db2.gz JOZREXLJZVIWQC-BXUZGUMPSA-N 2 1 281.356 1.524 20 5 CDBDMP C[NH2+]CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841043675 618677980 /nfs/dbraw/zinc/67/79/80/618677980.db2.gz ZWBWACFWRABGFJ-UHFFFAOYSA-N 2 1 257.721 1.947 20 5 CDBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000723678489 710302189 /nfs/dbraw/zinc/30/21/89/710302189.db2.gz UMDCHMIWKUXUTG-JTQLQIEISA-N 2 1 267.304 1.905 20 5 CDBDMP Cc1ncc2n1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169010238 927613127 /nfs/dbraw/zinc/61/31/27/927613127.db2.gz BRMAYLZVDWKPBD-NEPJUHHUSA-N 2 1 264.329 1.453 20 5 CDBDMP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034527 927640403 /nfs/dbraw/zinc/64/04/03/927640403.db2.gz HILGDYDOGMJRQV-OCCSQVGLSA-N 2 1 269.389 1.848 20 5 CDBDMP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034527 927640411 /nfs/dbraw/zinc/64/04/11/927640411.db2.gz HILGDYDOGMJRQV-OCCSQVGLSA-N 2 1 269.389 1.848 20 5 CDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000596647772 343370637 /nfs/dbraw/zinc/37/06/37/343370637.db2.gz BGAWBDCGGXPTHZ-TUAOUCFPSA-N 2 1 279.344 1.227 20 5 CDBDMP CCN1CCC([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602779787 344595591 /nfs/dbraw/zinc/59/55/91/344595591.db2.gz QZNKHONIYTXASA-UHFFFAOYSA-N 2 1 295.387 1.516 20 5 CDBDMP CC[NH+]1CCC(N(C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602779787 344595592 /nfs/dbraw/zinc/59/55/92/344595592.db2.gz QZNKHONIYTXASA-UHFFFAOYSA-N 2 1 295.387 1.516 20 5 CDBDMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327035 279297924 /nfs/dbraw/zinc/29/79/24/279297924.db2.gz NHIWLSXCJXKUGN-MXWKQRLJSA-N 2 1 267.333 1.212 20 5 CDBDMP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059957 712003398 /nfs/dbraw/zinc/00/33/98/712003398.db2.gz JGFAEQPIMGZECP-RISCZKNCSA-N 2 1 281.356 1.558 20 5 CDBDMP [NH2+]=C(Nc1ccc2ncc([N+](=O)[O-])n2c1)SCC[NH3+] ZINC001167915057 902176330 /nfs/dbraw/zinc/17/63/30/902176330.db2.gz QOGXDOINBWWOSA-UHFFFAOYSA-N 2 1 280.313 1.281 20 5 CDBDMP [NH3+]CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172900360 912038905 /nfs/dbraw/zinc/03/89/05/912038905.db2.gz CXCZMHMIJGNSKA-CYBMUJFWSA-N 2 1 275.352 1.923 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246448639 948178513 /nfs/dbraw/zinc/17/85/13/948178513.db2.gz ZOFQGTDKFJNFHZ-DGCLKSJQSA-N 2 1 259.309 1.014 20 5 CDBDMP CC1([NH3+])CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000592484967 342695712 /nfs/dbraw/zinc/69/57/12/342695712.db2.gz LCTGYLVRLRKMPT-UHFFFAOYSA-N 2 1 279.340 1.787 20 5 CDBDMP CC[N@H+](C)C[C@H]1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778435 344593561 /nfs/dbraw/zinc/59/35/61/344593561.db2.gz LPBWQMUPQLGEJD-CYBMUJFWSA-N 2 1 295.387 1.373 20 5 CDBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778435 344593565 /nfs/dbraw/zinc/59/35/65/344593565.db2.gz LPBWQMUPQLGEJD-CYBMUJFWSA-N 2 1 295.387 1.373 20 5 CDBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778435 344593568 /nfs/dbraw/zinc/59/35/68/344593568.db2.gz LPBWQMUPQLGEJD-CYBMUJFWSA-N 2 1 295.387 1.373 20 5 CDBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778435 344593571 /nfs/dbraw/zinc/59/35/71/344593571.db2.gz LPBWQMUPQLGEJD-CYBMUJFWSA-N 2 1 295.387 1.373 20 5 CDBDMP [NH3+]CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423180160 374370153 /nfs/dbraw/zinc/37/01/53/374370153.db2.gz IHDPAWAZJXVGPO-WCQYABFASA-N 2 1 263.341 1.854 20 5 CDBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261762012 140385214 /nfs/dbraw/zinc/38/52/14/140385214.db2.gz VBWIHSYJMROTPZ-AWEZNQCLSA-N 2 1 290.367 1.074 20 5 CDBDMP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986218 927574442 /nfs/dbraw/zinc/57/44/42/927574442.db2.gz WYPVBMMHCFKFQI-KGLIPLIRSA-N 3 1 286.420 1.034 20 5 CDBDMP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986218 927574445 /nfs/dbraw/zinc/57/44/45/927574445.db2.gz WYPVBMMHCFKFQI-KGLIPLIRSA-N 3 1 286.420 1.034 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001327090293 954698136 /nfs/dbraw/zinc/69/81/36/954698136.db2.gz UMQMXYNYWCRNDP-UHFFFAOYSA-N 2 1 293.371 1.257 20 5 CDBDMP C[NH2+]CCOCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000600729219 342245485 /nfs/dbraw/zinc/24/54/85/342245485.db2.gz SUAMLLXXTZHLIW-UHFFFAOYSA-N 2 1 281.356 1.305 20 5 CDBDMP C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000423015310 374366548 /nfs/dbraw/zinc/36/65/48/374366548.db2.gz QTKWNHDJOREASH-RISCZKNCSA-N 2 1 263.341 1.867 20 5 CDBDMP C[NH2+]CCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000124992854 374880909 /nfs/dbraw/zinc/88/09/09/374880909.db2.gz VJRQVVRGQGALKA-UHFFFAOYSA-N 2 1 251.330 1.679 20 5 CDBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576158 375291226 /nfs/dbraw/zinc/29/12/26/375291226.db2.gz PXTJVIOTSMQCNR-DGCLKSJQSA-N 2 1 263.341 1.806 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000351491334 375303454 /nfs/dbraw/zinc/30/34/54/375303454.db2.gz JOLNWLKSDYVIPR-KCPJHIHWSA-N 2 1 291.351 1.643 20 5 CDBDMP C[N@@H+]1CC[C@](O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000358114228 375952100 /nfs/dbraw/zinc/95/21/00/375952100.db2.gz FVCPUXXGOYWNHZ-DRDHIDPGSA-N 2 1 291.351 1.264 20 5 CDBDMP C[N@H+]1CC[C@](O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000358114228 375952107 /nfs/dbraw/zinc/95/21/07/375952107.db2.gz FVCPUXXGOYWNHZ-DRDHIDPGSA-N 2 1 291.351 1.264 20 5 CDBDMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327038 278184452 /nfs/dbraw/zinc/18/44/52/278184452.db2.gz NHIWLSXCJXKUGN-OUAUKWLOSA-N 2 1 267.333 1.212 20 5 CDBDMP C[N@@H+](C[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576148992 317085606 /nfs/dbraw/zinc/08/56/06/317085606.db2.gz CZZYKDDSSXFNFC-OAHLLOKOSA-N 2 1 293.367 1.182 20 5 CDBDMP CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251665134 1160570761 /nfs/dbraw/zinc/57/07/61/1160570761.db2.gz HFSSUBQSFVYZDP-NWDGAFQWSA-N 2 1 281.360 1.159 20 5 CDBDMP CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251665134 1160570766 /nfs/dbraw/zinc/57/07/66/1160570766.db2.gz HFSSUBQSFVYZDP-NWDGAFQWSA-N 2 1 281.360 1.159 20 5 CDBDMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038682 927650451 /nfs/dbraw/zinc/65/04/51/927650451.db2.gz KEDNAJTYQJDPRV-MCIONIFRSA-N 2 1 267.373 1.459 20 5 CDBDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038682 927650459 /nfs/dbraw/zinc/65/04/59/927650459.db2.gz KEDNAJTYQJDPRV-MCIONIFRSA-N 2 1 267.373 1.459 20 5 CDBDMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038682 927650466 /nfs/dbraw/zinc/65/04/66/927650466.db2.gz KEDNAJTYQJDPRV-MCIONIFRSA-N 2 1 267.373 1.459 20 5 CDBDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019063 927660072 /nfs/dbraw/zinc/66/00/72/927660072.db2.gz GNQJTLZKSCWAPS-YIYPIFLZSA-N 2 1 267.373 1.315 20 5 CDBDMP C[NH+]1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254569495 947529674 /nfs/dbraw/zinc/52/96/74/947529674.db2.gz YQYANEJXKSWOJW-CQSZACIVSA-N 2 1 275.352 1.746 20 5 CDBDMP [NH3+]CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCCC1 ZINC000352496811 155227541 /nfs/dbraw/zinc/22/75/41/155227541.db2.gz ZXFYABNMKPMITN-UHFFFAOYSA-N 2 1 295.387 1.632 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359461391 158254539 /nfs/dbraw/zinc/25/45/39/158254539.db2.gz YRMQHQBJYUUGFI-BETUJISGSA-N 2 1 261.325 1.554 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359461391 158254540 /nfs/dbraw/zinc/25/45/40/158254540.db2.gz YRMQHQBJYUUGFI-BETUJISGSA-N 2 1 261.325 1.554 20 5 CDBDMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@@H]1C[NH3+] ZINC001246569615 931829126 /nfs/dbraw/zinc/82/91/26/931829126.db2.gz RCIBFGJJKCSEEY-AAVRWANBSA-N 2 1 269.389 1.739 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012423 948574506 /nfs/dbraw/zinc/57/45/06/948574506.db2.gz DKMVIEVPCUFOKW-MQYQWHSLSA-N 2 1 267.373 1.506 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012423 948574514 /nfs/dbraw/zinc/57/45/14/948574514.db2.gz DKMVIEVPCUFOKW-MQYQWHSLSA-N 2 1 267.373 1.506 20 5 CDBDMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000113516279 374261549 /nfs/dbraw/zinc/26/15/49/374261549.db2.gz QQWDWSVQWJEURJ-ZDUSSCGKSA-N 2 1 293.367 1.857 20 5 CDBDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000113516279 374261555 /nfs/dbraw/zinc/26/15/55/374261555.db2.gz QQWDWSVQWJEURJ-ZDUSSCGKSA-N 2 1 293.367 1.857 20 5 CDBDMP [NH3+]CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430627810 393102847 /nfs/dbraw/zinc/10/28/47/393102847.db2.gz NTDXWHCYDIQLIO-UHFFFAOYSA-N 2 1 267.304 1.905 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000359298068 158205196 /nfs/dbraw/zinc/20/51/96/158205196.db2.gz YXJFZCSEGSRREB-VXGBXAGGSA-N 2 1 277.324 1.125 20 5 CDBDMP [NH3+]C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044531307 175196193 /nfs/dbraw/zinc/19/61/93/175196193.db2.gz VZDCPEJDVGJHOW-CYBMUJFWSA-N 2 1 263.341 1.808 20 5 CDBDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000577620786 317368873 /nfs/dbraw/zinc/36/88/73/317368873.db2.gz QZKONNVUTGJEAE-OLZOCXBDSA-N 2 1 265.313 1.443 20 5 CDBDMP [NH3+]CC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841107475 683301304 /nfs/dbraw/zinc/30/13/04/683301304.db2.gz HMJLTHUEPCVFJT-UHFFFAOYSA-N 2 1 299.758 1.534 20 5 CDBDMP C[N@H+]1CC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432193 683829062 /nfs/dbraw/zinc/82/90/62/683829062.db2.gz KBNAEOKTSAVZHH-KGLIPLIRSA-N 2 1 275.352 1.978 20 5 CDBDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432193 683829064 /nfs/dbraw/zinc/82/90/64/683829064.db2.gz KBNAEOKTSAVZHH-KGLIPLIRSA-N 2 1 275.352 1.978 20 5 CDBDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432193 683829066 /nfs/dbraw/zinc/82/90/66/683829066.db2.gz KBNAEOKTSAVZHH-KGLIPLIRSA-N 2 1 275.352 1.978 20 5 CDBDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432193 683829067 /nfs/dbraw/zinc/82/90/67/683829067.db2.gz KBNAEOKTSAVZHH-KGLIPLIRSA-N 2 1 275.352 1.978 20 5 CDBDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432193 683829069 /nfs/dbraw/zinc/82/90/69/683829069.db2.gz KBNAEOKTSAVZHH-KGLIPLIRSA-N 2 1 275.352 1.978 20 5 CDBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[N+](=O)[O-] ZINC000930169870 684179074 /nfs/dbraw/zinc/17/90/74/684179074.db2.gz LOZVCJONDHKBJE-UHFFFAOYSA-N 2 1 292.383 1.897 20 5 CDBDMP C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@@H]1C[NH3+] ZINC001246569616 931828718 /nfs/dbraw/zinc/82/87/18/931828718.db2.gz RCIBFGJJKCSEEY-XJFOESAGSA-N 2 1 269.389 1.739 20 5 CDBDMP C[NH+](C)/C=C/c1cc(NC/C=C/C[NH3+])ncc1[N+](=O)[O-] ZINC001160983022 938854388 /nfs/dbraw/zinc/85/43/88/938854388.db2.gz OQSOJSVSOTXHCU-SALQQRKASA-N 2 1 277.328 1.449 20 5 CDBDMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580594 947536862 /nfs/dbraw/zinc/53/68/62/947536862.db2.gz GSQRRCKAEQSGNH-QMTHXVAHSA-N 2 1 263.341 1.589 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000602818475 344608089 /nfs/dbraw/zinc/60/80/89/344608089.db2.gz DSWPQUZMGCLABG-CYBMUJFWSA-N 2 1 295.387 1.516 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000602818475 344608093 /nfs/dbraw/zinc/60/80/93/344608093.db2.gz DSWPQUZMGCLABG-CYBMUJFWSA-N 2 1 295.387 1.516 20 5 CDBDMP COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168627014 361343883 /nfs/dbraw/zinc/34/38/83/361343883.db2.gz UPVSAEPPTGQZFF-PWSUYJOCSA-N 2 1 279.340 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168627014 361343884 /nfs/dbraw/zinc/34/38/84/361343884.db2.gz UPVSAEPPTGQZFF-PWSUYJOCSA-N 2 1 279.340 1.773 20 5 CDBDMP CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122713214 1175244098 /nfs/dbraw/zinc/24/40/98/1175244098.db2.gz HFSSUBQSFVYZDP-NEPJUHHUSA-N 2 1 281.360 1.159 20 5 CDBDMP CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122713214 1175244104 /nfs/dbraw/zinc/24/41/04/1175244104.db2.gz HFSSUBQSFVYZDP-NEPJUHHUSA-N 2 1 281.360 1.159 20 5 CDBDMP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000923361701 684671090 /nfs/dbraw/zinc/67/10/90/684671090.db2.gz KYKDSTQQALHEDP-KGPNIALWSA-N 2 1 265.313 1.050 20 5 CDBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000923361701 684671094 /nfs/dbraw/zinc/67/10/94/684671094.db2.gz KYKDSTQQALHEDP-KGPNIALWSA-N 2 1 265.313 1.050 20 5 CDBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000886832936 686303972 /nfs/dbraw/zinc/30/39/72/686303972.db2.gz PVDZPDHAIMNHGY-KGYLQXTDSA-N 2 1 276.340 1.549 20 5 CDBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000886832936 686303982 /nfs/dbraw/zinc/30/39/82/686303982.db2.gz PVDZPDHAIMNHGY-KGYLQXTDSA-N 2 1 276.340 1.549 20 5 CDBDMP C[NH+](C)/C=C/c1cc(-n2nccc2C[NH3+])ncc1[N+](=O)[O-] ZINC001155124803 926568031 /nfs/dbraw/zinc/56/80/31/926568031.db2.gz OBRBZNMJWNHOTK-GQCTYLIASA-N 2 1 288.311 1.167 20 5 CDBDMP C[C@H](C[N+](C)(C)C)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229081464 942415059 /nfs/dbraw/zinc/41/50/59/942415059.db2.gz QLSKRDGRARTBMM-SECBINFHSA-N 2 1 270.328 1.603 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CC[NH3+])CC1 ZINC001254538682 947516597 /nfs/dbraw/zinc/51/65/97/947516597.db2.gz YKQGLINDJYWCAT-ZDUSSCGKSA-N 2 1 292.383 1.102 20 5 CDBDMP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000595897792 343185753 /nfs/dbraw/zinc/18/57/53/343185753.db2.gz CFFLNEIPWWNRQT-UHFFFAOYSA-N 2 1 251.330 1.806 20 5 CDBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000595897792 343185754 /nfs/dbraw/zinc/18/57/54/343185754.db2.gz CFFLNEIPWWNRQT-UHFFFAOYSA-N 2 1 251.330 1.806 20 5 CDBDMP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000261886185 357338009 /nfs/dbraw/zinc/33/80/09/357338009.db2.gz VCEAUDMVHSHQQS-AWEZNQCLSA-N 2 1 279.340 1.644 20 5 CDBDMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000261886185 357338011 /nfs/dbraw/zinc/33/80/11/357338011.db2.gz VCEAUDMVHSHQQS-AWEZNQCLSA-N 2 1 279.340 1.644 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420376881 244171554 /nfs/dbraw/zinc/17/15/54/244171554.db2.gz ASRQJEJRHZDTOA-OCCSQVGLSA-N 2 1 293.371 1.255 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423507195 374385278 /nfs/dbraw/zinc/38/52/78/374385278.db2.gz HTFBPFRNYOUJMQ-TZMCWYRMSA-N 2 1 292.383 1.019 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000351491332 375302619 /nfs/dbraw/zinc/30/26/19/375302619.db2.gz JOLNWLKSDYVIPR-BYCMXARLSA-N 2 1 291.351 1.643 20 5 CDBDMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414954620 391220719 /nfs/dbraw/zinc/22/07/19/391220719.db2.gz STZLBVSFQNTUHZ-PWSUYJOCSA-N 2 1 279.340 1.834 20 5 CDBDMP C[NH2+]CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423225928 397602839 /nfs/dbraw/zinc/60/28/39/397602839.db2.gz OTSMYQTZKMSRSG-ZDUSSCGKSA-N 2 1 263.341 1.725 20 5 CDBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925628997 617576490 /nfs/dbraw/zinc/57/64/90/617576490.db2.gz JJLCPYRQNQPTEB-RHMLRGBNSA-N 2 1 287.363 1.723 20 5 CDBDMP C[C@H](C[NH3+])[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000430940339 1186769978 /nfs/dbraw/zinc/76/99/78/1186769978.db2.gz OVVDFGLWDAYJIJ-LLVKDONJSA-N 2 1 267.329 1.643 20 5 CDBDMP C[C@H](C[NH3+])[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000430940339 1186769985 /nfs/dbraw/zinc/76/99/85/1186769985.db2.gz OVVDFGLWDAYJIJ-LLVKDONJSA-N 2 1 267.329 1.643 20 5 CDBDMP C[N@@H+]1CCc2c(-n3cc(C[NH3+])cn3)ccc([N+](=O)[O-])c2C1 ZINC001168258955 908007540 /nfs/dbraw/zinc/00/75/40/908007540.db2.gz GIGFFPSPFZWMGV-UHFFFAOYSA-N 2 1 287.323 1.227 20 5 CDBDMP C[N@H+]1CCc2c(-n3cc(C[NH3+])cn3)ccc([N+](=O)[O-])c2C1 ZINC001168258955 908007553 /nfs/dbraw/zinc/00/75/53/908007553.db2.gz GIGFFPSPFZWMGV-UHFFFAOYSA-N 2 1 287.323 1.227 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001169036392 927643810 /nfs/dbraw/zinc/64/38/10/927643810.db2.gz FTJXFVDXQVMEBI-AAEUAGOBSA-N 2 1 278.356 1.968 20 5 CDBDMP CC[N+](C)(C)Cc1ccccc1N[C@@H](N)CCC[NH3+] ZINC001170898199 930696521 /nfs/dbraw/zinc/69/65/21/930696521.db2.gz CENSXKWDBPIYFF-OAHLLOKOSA-N 2 1 265.425 1.719 20 5 CDBDMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573003 947532330 /nfs/dbraw/zinc/53/23/30/947532330.db2.gz VEPUOILUHWWXFN-CQSZACIVSA-N 2 1 286.335 1.941 20 5 CDBDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000592439028 342692888 /nfs/dbraw/zinc/69/28/88/342692888.db2.gz XVQPFBPCEPVVJG-IUCAKERBSA-N 2 1 255.293 1.949 20 5 CDBDMP C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1CC[NH3+] ZINC000593733971 342830645 /nfs/dbraw/zinc/83/06/45/342830645.db2.gz PPURBMXHFYJSHS-AAEUAGOBSA-N 2 1 281.360 1.241 20 5 CDBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000163251504 356110474 /nfs/dbraw/zinc/11/04/74/356110474.db2.gz RMPQDPDNFNSZKH-DGCLKSJQSA-N 2 1 263.341 1.806 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357086333 375884184 /nfs/dbraw/zinc/88/41/84/375884184.db2.gz UZKDORMDUDRVGR-CHWSQXEVSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357086333 375884189 /nfs/dbraw/zinc/88/41/89/375884189.db2.gz UZKDORMDUDRVGR-CHWSQXEVSA-N 2 1 291.351 1.515 20 5 CDBDMP COc1ccc(OCC[N@@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430918710 390942375 /nfs/dbraw/zinc/94/23/75/390942375.db2.gz NZEKEPYMTJIRJG-NSHDSACASA-N 2 1 295.339 1.263 20 5 CDBDMP COc1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430918710 390942376 /nfs/dbraw/zinc/94/23/76/390942376.db2.gz NZEKEPYMTJIRJG-NSHDSACASA-N 2 1 295.339 1.263 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357043533 391937111 /nfs/dbraw/zinc/93/71/11/391937111.db2.gz GMHZJUMUNDLYBG-GXTWGEPZSA-N 2 1 275.352 1.945 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357043533 391937120 /nfs/dbraw/zinc/93/71/20/391937120.db2.gz GMHZJUMUNDLYBG-GXTWGEPZSA-N 2 1 275.352 1.945 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430951549 393107828 /nfs/dbraw/zinc/10/78/28/393107828.db2.gz MEKKXVUJBXGVKD-GFCCVEGCSA-N 2 1 279.340 1.515 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430951549 393107830 /nfs/dbraw/zinc/10/78/30/393107830.db2.gz MEKKXVUJBXGVKD-GFCCVEGCSA-N 2 1 279.340 1.515 20 5 CDBDMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235842 276266830 /nfs/dbraw/zinc/26/68/30/276266830.db2.gz BLIFJWMSVHRWFY-NWDGAFQWSA-N 2 1 281.360 1.474 20 5 CDBDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073197 317261628 /nfs/dbraw/zinc/26/16/28/317261628.db2.gz MMAQFIQKOHAHGG-RYUDHWBXSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073197 317261631 /nfs/dbraw/zinc/26/16/31/317261631.db2.gz MMAQFIQKOHAHGG-RYUDHWBXSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817970799 696196127 /nfs/dbraw/zinc/19/61/27/696196127.db2.gz FIXSVFJBZJDATD-FOGDFJRCSA-N 2 1 278.356 1.968 20 5 CDBDMP C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923288126 724405490 /nfs/dbraw/zinc/40/54/90/724405490.db2.gz HPXVLVYJPCXHOE-LERXQTSPSA-N 2 1 279.340 1.297 20 5 CDBDMP C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923288126 724405494 /nfs/dbraw/zinc/40/54/94/724405494.db2.gz HPXVLVYJPCXHOE-LERXQTSPSA-N 2 1 279.340 1.297 20 5 CDBDMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817965436 723697832 /nfs/dbraw/zinc/69/78/32/723697832.db2.gz QLRIOORNMBRIMS-PELKAZGASA-N 2 1 264.329 1.565 20 5 CDBDMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000923485316 725399542 /nfs/dbraw/zinc/39/95/42/725399542.db2.gz HOUYKTOHBLBCCQ-LBPRGKRZSA-N 2 1 279.340 1.644 20 5 CDBDMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131600891 725491700 /nfs/dbraw/zinc/49/17/00/725491700.db2.gz SVACIUJHKBHBGW-CMPLNLGQSA-N 2 1 279.340 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131600891 725491702 /nfs/dbraw/zinc/49/17/02/725491702.db2.gz SVACIUJHKBHBGW-CMPLNLGQSA-N 2 1 279.340 1.773 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000723678519 896127739 /nfs/dbraw/zinc/12/77/39/896127739.db2.gz UMDCHMIWKUXUTG-SNVBAGLBSA-N 2 1 267.304 1.905 20 5 CDBDMP C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001262256840 946551046 /nfs/dbraw/zinc/55/10/46/946551046.db2.gz WJHNWBKETUPCQH-NEPJUHHUSA-N 2 1 255.362 1.506 20 5 CDBDMP C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001262256840 946551053 /nfs/dbraw/zinc/55/10/53/946551053.db2.gz WJHNWBKETUPCQH-NEPJUHHUSA-N 2 1 255.362 1.506 20 5 CDBDMP C[N@@H+](CCC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000592473590 342698620 /nfs/dbraw/zinc/69/86/20/342698620.db2.gz DOPKTVALZRTLGB-UHFFFAOYSA-N 2 1 253.302 1.254 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359273689 158192930 /nfs/dbraw/zinc/19/29/30/158192930.db2.gz JEJHAJDBFQQBSJ-VXGBXAGGSA-N 2 1 277.324 1.125 20 5 CDBDMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000131601065 726019862 /nfs/dbraw/zinc/01/98/62/726019862.db2.gz SVACIUJHKBHBGW-PWSUYJOCSA-N 2 1 279.340 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000131601065 726019863 /nfs/dbraw/zinc/01/98/63/726019863.db2.gz SVACIUJHKBHBGW-PWSUYJOCSA-N 2 1 279.340 1.773 20 5 CDBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000886832183 726138340 /nfs/dbraw/zinc/13/83/40/726138340.db2.gz CHUGWANZLILRGC-UHFFFAOYSA-N 2 1 276.340 1.565 20 5 CDBDMP C[NH+](C)CCC[N@H+](C)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882602100 726934699 /nfs/dbraw/zinc/93/46/99/726934699.db2.gz UTUPHHKONDCBIW-UHFFFAOYSA-N 2 1 299.350 1.424 20 5 CDBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882602100 726934702 /nfs/dbraw/zinc/93/47/02/726934702.db2.gz UTUPHHKONDCBIW-UHFFFAOYSA-N 2 1 299.350 1.424 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000923485643 923872526 /nfs/dbraw/zinc/87/25/26/923872526.db2.gz KRUJSQXBWRKTPB-SNVBAGLBSA-N 2 1 267.304 1.905 20 5 CDBDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965847 927589480 /nfs/dbraw/zinc/58/94/80/927589480.db2.gz CPZVSKUYHNEFRV-RDBSUJKOSA-N 2 1 269.389 1.753 20 5 CDBDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169050109 927668901 /nfs/dbraw/zinc/66/89/01/927668901.db2.gz YMHYLTWSUJONCT-RFQIPJPRSA-N 2 1 267.373 1.315 20 5 CDBDMP CCC1(Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C[NH2+]C1 ZINC001157784662 938545122 /nfs/dbraw/zinc/54/51/22/938545122.db2.gz HPUPEQJAAHGXRR-AATRIKPKSA-N 2 1 291.355 1.686 20 5 CDBDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575204 947534431 /nfs/dbraw/zinc/53/44/31/947534431.db2.gz PPFQPLBRSMXYFN-DOMZBBRYSA-N 2 1 289.379 1.993 20 5 CDBDMP Cc1noc(C[NH+]2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000595296500 343026660 /nfs/dbraw/zinc/02/66/60/343026660.db2.gz KGEGGMZIJLRKKY-UHFFFAOYSA-N 2 1 282.344 1.665 20 5 CDBDMP CC[N@@H+](C)C[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000584538316 358146912 /nfs/dbraw/zinc/14/69/12/358146912.db2.gz MDNWMQZYIVZTNM-CQSZACIVSA-N 2 1 295.383 1.382 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420376877 244170929 /nfs/dbraw/zinc/17/09/29/244170929.db2.gz ASRQJEJRHZDTOA-GXTWGEPZSA-N 2 1 293.371 1.255 20 5 CDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CCC[NH2+]C2)n1 ZINC000423189165 374372187 /nfs/dbraw/zinc/37/21/87/374372187.db2.gz MRLYJRRUBZJRKM-RWMBFGLXSA-N 2 1 293.371 1.617 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420376883 285189214 /nfs/dbraw/zinc/18/92/14/285189214.db2.gz ASRQJEJRHZDTOA-TZMCWYRMSA-N 2 1 293.371 1.255 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261723279 140380652 /nfs/dbraw/zinc/38/06/52/140380652.db2.gz QJCJKLNNTAVSFO-LEWSCRJBSA-N 2 1 291.351 1.773 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261723279 140380653 /nfs/dbraw/zinc/38/06/53/140380653.db2.gz QJCJKLNNTAVSFO-LEWSCRJBSA-N 2 1 291.351 1.773 20 5 CDBDMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905062982 626611985 /nfs/dbraw/zinc/61/19/85/626611985.db2.gz QGENTZHPMWLOTD-UHFFFAOYSA-N 2 1 251.330 1.505 20 5 CDBDMP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158622345 1178224823 /nfs/dbraw/zinc/22/48/23/1178224823.db2.gz BRXAPZKLNGDEDF-RISCZKNCSA-N 2 1 279.340 1.170 20 5 CDBDMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296384 729374636 /nfs/dbraw/zinc/37/46/36/729374636.db2.gz GWAXZXKZOZZAEP-HUUCEWRRSA-N 2 1 295.383 1.933 20 5 CDBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296384 729374638 /nfs/dbraw/zinc/37/46/38/729374638.db2.gz GWAXZXKZOZZAEP-HUUCEWRRSA-N 2 1 295.383 1.933 20 5 CDBDMP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986216 927575773 /nfs/dbraw/zinc/57/57/73/927575773.db2.gz WYPVBMMHCFKFQI-KBPBESRZSA-N 3 1 286.420 1.034 20 5 CDBDMP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986216 927575783 /nfs/dbraw/zinc/57/57/83/927575783.db2.gz WYPVBMMHCFKFQI-KBPBESRZSA-N 3 1 286.420 1.034 20 5 CDBDMP C[C@@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001338476882 961825084 /nfs/dbraw/zinc/82/50/84/961825084.db2.gz YALXWBPXLDOXJY-SMDDNHRTSA-N 2 1 281.356 1.558 20 5 CDBDMP C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1CC[NH3+] ZINC000593730808 342830387 /nfs/dbraw/zinc/83/03/87/342830387.db2.gz HHQJASITFUEGBU-RYUDHWBXSA-N 2 1 281.360 1.241 20 5 CDBDMP Cc1c(C[N@@H+](C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000600736042 342246272 /nfs/dbraw/zinc/24/62/72/342246272.db2.gz PMBSTEAZHJMEBV-UHFFFAOYSA-N 2 1 267.329 1.310 20 5 CDBDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271874922 191382735 /nfs/dbraw/zinc/38/27/35/191382735.db2.gz YVHVTJHXOAJPSE-UHFFFAOYSA-N 2 1 261.325 1.946 20 5 CDBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000036301538 361486135 /nfs/dbraw/zinc/48/61/35/361486135.db2.gz PIYWJRGPBXRAKC-UHFFFAOYSA-N 2 1 263.341 1.821 20 5 CDBDMP C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420406034 244209369 /nfs/dbraw/zinc/20/93/69/244209369.db2.gz NIFWZHKCFSBNML-QWHCGFSZSA-N 2 1 293.367 1.890 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420312446 285142123 /nfs/dbraw/zinc/14/21/23/285142123.db2.gz XAMLPWYOEQIRAL-GFCCVEGCSA-N 2 1 275.352 1.953 20 5 CDBDMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327011 392962985 /nfs/dbraw/zinc/96/29/85/392962985.db2.gz NHIWLSXCJXKUGN-GMTAPVOTSA-N 2 1 267.333 1.212 20 5 CDBDMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430948418 393107429 /nfs/dbraw/zinc/10/74/29/393107429.db2.gz JATOIMOIZZNWDQ-NSHDSACASA-N 2 1 265.313 1.254 20 5 CDBDMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368530 278251075 /nfs/dbraw/zinc/25/10/75/278251075.db2.gz NHIWLSXCJXKUGN-DCAQKATOSA-N 2 1 267.333 1.212 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423286175 279382222 /nfs/dbraw/zinc/38/22/22/279382222.db2.gz ZTSJUMKNSHMAGU-MFKMUULPSA-N 2 1 263.341 1.853 20 5 CDBDMP Cc1nc(C[NH+]2CCC(C[NH2+]CC[N+](=O)[O-])CC2)oc1C ZINC000905104178 626621324 /nfs/dbraw/zinc/62/13/24/626621324.db2.gz NFJMVHFCUJBUFK-UHFFFAOYSA-N 2 1 296.371 1.370 20 5 CDBDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959743 930645968 /nfs/dbraw/zinc/64/59/68/930645968.db2.gz IBRQXXBMRTWSMK-UFBFGSQYSA-N 2 1 264.329 1.565 20 5 CDBDMP C[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC[NH2+]1 ZINC001156700772 938407992 /nfs/dbraw/zinc/40/79/92/938407992.db2.gz XLYQYKPXKRXCLA-DUMNWFOQSA-N 2 1 291.355 1.320 20 5 CDBDMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246447281 948178666 /nfs/dbraw/zinc/17/86/66/948178666.db2.gz VLEZAJJCMAXUQB-IINYFYTJSA-N 2 1 291.351 1.486 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600742281 342246968 /nfs/dbraw/zinc/24/69/68/342246968.db2.gz SYIQKZQHQBSCPM-GFCCVEGCSA-N 2 1 281.356 1.871 20 5 CDBDMP O=[N+]([O-])c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414806898 241397149 /nfs/dbraw/zinc/39/71/49/241397149.db2.gz BXQVDCQGAWBCJS-FUNVUKJBSA-N 2 1 261.325 1.967 20 5 CDBDMP C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420406033 244208623 /nfs/dbraw/zinc/20/86/23/244208623.db2.gz NIFWZHKCFSBNML-OLZOCXBDSA-N 2 1 293.367 1.890 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420312450 285142098 /nfs/dbraw/zinc/14/20/98/285142098.db2.gz XAMLPWYOEQIRAL-LBPRGKRZSA-N 2 1 275.352 1.953 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358311942 391579929 /nfs/dbraw/zinc/57/99/29/391579929.db2.gz AMQVMKGKBOFWSF-RYUDHWBXSA-N 2 1 279.344 1.008 20 5 CDBDMP C[N@H+](CCC[NH+]1CCCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000337284017 522749006 /nfs/dbraw/zinc/74/90/06/522749006.db2.gz YPFVCMXWUSHBIO-UHFFFAOYSA-N 2 1 281.360 1.209 20 5 CDBDMP C[N@@H+](CCC[NH+]1CCCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000337284017 522749009 /nfs/dbraw/zinc/74/90/09/522749009.db2.gz YPFVCMXWUSHBIO-UHFFFAOYSA-N 2 1 281.360 1.209 20 5 CDBDMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925513804 617420134 /nfs/dbraw/zinc/42/01/34/617420134.db2.gz MBZJFFFZLRVYHY-CYBMUJFWSA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925517101 736129410 /nfs/dbraw/zinc/12/94/10/736129410.db2.gz YVVBQPJNJXEWRL-DGCLKSJQSA-N 2 1 263.341 1.867 20 5 CDBDMP CN1Cc2cc(NC(=[NH2+])SCC[NH3+])cc([N+](=O)[O-])c2N1 ZINC001167915953 902273704 /nfs/dbraw/zinc/27/37/04/902273704.db2.gz MNRJCWBVXOTJKP-UHFFFAOYSA-N 2 1 296.356 1.406 20 5 CDBDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019061 927661157 /nfs/dbraw/zinc/66/11/57/927661157.db2.gz GNQJTLZKSCWAPS-RFQIPJPRSA-N 2 1 267.373 1.315 20 5 CDBDMP C[N@@H+]1CCc2c(NCC(C)(C)[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001171193894 931852197 /nfs/dbraw/zinc/85/21/97/931852197.db2.gz GIHVGGQGPFIMJN-UHFFFAOYSA-N 2 1 278.356 1.732 20 5 CDBDMP C[N@H+]1CCc2c(NCC(C)(C)[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001171193894 931852201 /nfs/dbraw/zinc/85/22/01/931852201.db2.gz GIHVGGQGPFIMJN-UHFFFAOYSA-N 2 1 278.356 1.732 20 5 CDBDMP C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001163782996 939330426 /nfs/dbraw/zinc/33/04/26/939330426.db2.gz WFXHFQBIBDVLNC-NSHDSACASA-N 2 1 292.383 1.945 20 5 CDBDMP C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001163782996 939330427 /nfs/dbraw/zinc/33/04/27/939330427.db2.gz WFXHFQBIBDVLNC-NSHDSACASA-N 2 1 292.383 1.945 20 5 CDBDMP CCc1nc2c(c(O[C@@H](C)C[N+](C)(C)C)n1)C[NH2+]C2 ZINC001218355318 941209001 /nfs/dbraw/zinc/20/90/01/941209001.db2.gz HMJVMRYVNZDXRM-JTQLQIEISA-N 2 1 265.381 1.116 20 5 CDBDMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001246187222 948018122 /nfs/dbraw/zinc/01/81/22/948018122.db2.gz MSPVJZJVORXDCT-DGCLKSJQSA-N 2 1 293.367 1.876 20 5 CDBDMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246549249 948255275 /nfs/dbraw/zinc/25/52/75/948255275.db2.gz WGWXGDVDJGLLTR-UKRRQHHQSA-N 2 1 275.352 1.875 20 5 CDBDMP C[N@@H+]1CC=C(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001356598028 969439464 /nfs/dbraw/zinc/43/94/64/969439464.db2.gz XISXKGOIKQXCQU-HNNXBMFYSA-N 2 1 291.351 1.480 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420335556 244103872 /nfs/dbraw/zinc/10/38/72/244103872.db2.gz VFRDHBNKHQYDMT-OLZOCXBDSA-N 2 1 293.371 1.113 20 5 CDBDMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420366939 244154475 /nfs/dbraw/zinc/15/44/75/244154475.db2.gz RNBNKUCEXHKCHR-ZDUSSCGKSA-N 2 1 281.356 1.937 20 5 CDBDMP [NH3+]C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347178343 374413800 /nfs/dbraw/zinc/41/38/00/374413800.db2.gz SOGOXUSEDZJHDF-KTLBGCOUSA-N 2 1 261.325 1.889 20 5 CDBDMP [NH3+]C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347178343 374413804 /nfs/dbraw/zinc/41/38/04/374413804.db2.gz SOGOXUSEDZJHDF-KTLBGCOUSA-N 2 1 261.325 1.889 20 5 CDBDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422746228 392957094 /nfs/dbraw/zinc/95/70/94/392957094.db2.gz WFKRERGXEHZSMM-BXUZGUMPSA-N 2 1 263.341 1.725 20 5 CDBDMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368531 392962715 /nfs/dbraw/zinc/96/27/15/392962715.db2.gz NHIWLSXCJXKUGN-GARJFASQSA-N 2 1 267.333 1.212 20 5 CDBDMP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059953 736728850 /nfs/dbraw/zinc/72/88/50/736728850.db2.gz JGFAEQPIMGZECP-BXUZGUMPSA-N 2 1 281.356 1.558 20 5 CDBDMP [NH3+]CC[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000723675274 737205374 /nfs/dbraw/zinc/20/53/74/737205374.db2.gz WFVQCLMNCZYYSI-ZDUSSCGKSA-N 2 1 263.341 1.808 20 5 CDBDMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817965438 738753075 /nfs/dbraw/zinc/75/30/75/738753075.db2.gz QLRIOORNMBRIMS-PRHODGIISA-N 2 1 264.329 1.565 20 5 CDBDMP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986222 927578302 /nfs/dbraw/zinc/57/83/02/927578302.db2.gz WYPVBMMHCFKFQI-ZIAGYGMSSA-N 3 1 286.420 1.034 20 5 CDBDMP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986222 927578311 /nfs/dbraw/zinc/57/83/11/927578311.db2.gz WYPVBMMHCFKFQI-ZIAGYGMSSA-N 3 1 286.420 1.034 20 5 CDBDMP [NH3+]CCCc1[nH+]ccn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007616 927610843 /nfs/dbraw/zinc/61/08/43/927610843.db2.gz OQTGUCKAELVGOV-MNOVXSKESA-N 2 1 252.318 1.392 20 5 CDBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006382 927611369 /nfs/dbraw/zinc/61/13/69/927611369.db2.gz HGFONNCCKCABHS-VOAKCMCISA-N 2 1 255.362 1.362 20 5 CDBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006382 927611380 /nfs/dbraw/zinc/61/13/80/927611380.db2.gz HGFONNCCKCABHS-VOAKCMCISA-N 2 1 255.362 1.362 20 5 CDBDMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046727 927666482 /nfs/dbraw/zinc/66/64/82/927666482.db2.gz MIQDLCCBGQKLJV-CHWSQXEVSA-N 2 1 257.378 1.705 20 5 CDBDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581495 969436787 /nfs/dbraw/zinc/43/67/87/969436787.db2.gz ARUOPYCGXPLHLE-DOMZBBRYSA-N 2 1 293.367 1.560 20 5 CDBDMP C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000422797121 245266996 /nfs/dbraw/zinc/26/69/96/245266996.db2.gz ZWIMJSWQZVDBMF-DGCLKSJQSA-N 2 1 263.341 1.867 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428047701 247235841 /nfs/dbraw/zinc/23/58/41/247235841.db2.gz ZGQNTAZMNVTUMD-SWLSCSKDSA-N 2 1 291.351 1.657 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428047701 247235845 /nfs/dbraw/zinc/23/58/45/247235845.db2.gz ZGQNTAZMNVTUMD-SWLSCSKDSA-N 2 1 291.351 1.657 20 5 CDBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580604 279262230 /nfs/dbraw/zinc/26/22/30/279262230.db2.gz AEIMTPRJZZFPLZ-WFASDCNBSA-N 2 1 293.367 1.903 20 5 CDBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CC1 ZINC000423205320 280374917 /nfs/dbraw/zinc/37/49/17/280374917.db2.gz PCWROVYDNIAUID-KBPBESRZSA-N 2 1 275.352 1.867 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1CC[NH2+]CC1 ZINC000094024301 1174458712 /nfs/dbraw/zinc/45/87/12/1174458712.db2.gz SYJFHOOKCNWTQA-UHFFFAOYSA-N 2 1 281.360 1.031 20 5 CDBDMP O=[N+]([O-])CCNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000905074992 626618118 /nfs/dbraw/zinc/61/81/18/626618118.db2.gz HTSDLRXBCAJOCB-LBPRGKRZSA-N 2 1 283.397 1.826 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000905074992 626618120 /nfs/dbraw/zinc/61/81/20/626618120.db2.gz HTSDLRXBCAJOCB-LBPRGKRZSA-N 2 1 283.397 1.826 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000905074992 626618121 /nfs/dbraw/zinc/61/81/21/626618121.db2.gz HTSDLRXBCAJOCB-LBPRGKRZSA-N 2 1 283.397 1.826 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000905074992 626618122 /nfs/dbraw/zinc/61/81/22/626618122.db2.gz HTSDLRXBCAJOCB-LBPRGKRZSA-N 2 1 283.397 1.826 20 5 CDBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923330294 739455739 /nfs/dbraw/zinc/45/57/39/739455739.db2.gz BOYQKPOOMFZVHP-ZKYQVNSYSA-N 2 1 279.340 1.297 20 5 CDBDMP C[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000886839463 740016818 /nfs/dbraw/zinc/01/68/18/740016818.db2.gz FLXRKJLJHKZTNV-AAEUAGOBSA-N 2 1 278.356 1.939 20 5 CDBDMP C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000886839463 740016823 /nfs/dbraw/zinc/01/68/23/740016823.db2.gz FLXRKJLJHKZTNV-AAEUAGOBSA-N 2 1 278.356 1.939 20 5 CDBDMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923348825 741323611 /nfs/dbraw/zinc/32/36/11/741323611.db2.gz LLCUEYGSHYVTLF-DOMZBBRYSA-N 2 1 293.367 1.689 20 5 CDBDMP CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923343374 742569969 /nfs/dbraw/zinc/56/99/69/742569969.db2.gz AJWXSPIJUVTDMC-BYCMXARLSA-N 2 1 293.367 1.687 20 5 CDBDMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923343374 742569974 /nfs/dbraw/zinc/56/99/74/742569974.db2.gz AJWXSPIJUVTDMC-BYCMXARLSA-N 2 1 293.367 1.687 20 5 CDBDMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899202 912036946 /nfs/dbraw/zinc/03/69/46/912036946.db2.gz MDFGHOARLAVYQG-ZIAGYGMSSA-N 2 1 275.352 1.875 20 5 CDBDMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899202 912036962 /nfs/dbraw/zinc/03/69/62/912036962.db2.gz MDFGHOARLAVYQG-ZIAGYGMSSA-N 2 1 275.352 1.875 20 5 CDBDMP N[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465736 947452033 /nfs/dbraw/zinc/45/20/33/947452033.db2.gz JJABSSPVNWUPNE-GFCCVEGCSA-N 2 1 290.367 1.597 20 5 CDBDMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465736 947452046 /nfs/dbraw/zinc/45/20/46/947452046.db2.gz JJABSSPVNWUPNE-GFCCVEGCSA-N 2 1 290.367 1.597 20 5 CDBDMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465736 947452056 /nfs/dbraw/zinc/45/20/56/947452056.db2.gz JJABSSPVNWUPNE-GFCCVEGCSA-N 2 1 290.367 1.597 20 5 CDBDMP [NH3+]CCc1c[nH+]cn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564903 947527564 /nfs/dbraw/zinc/52/75/64/947527564.db2.gz BLHBBQRSRUGYAE-AWEZNQCLSA-N 2 1 272.308 1.632 20 5 CDBDMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1C[NH3+] ZINC001246554605 948262006 /nfs/dbraw/zinc/26/20/06/948262006.db2.gz BTDHEYRQFRMUGT-YIYPIFLZSA-N 2 1 269.389 1.739 20 5 CDBDMP Cn1c[nH+]cc1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346212602 964988660 /nfs/dbraw/zinc/98/86/60/964988660.db2.gz AUYAHRZEVAOTDM-CQSZACIVSA-N 2 1 290.323 1.194 20 5 CDBDMP C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000291698329 198062561 /nfs/dbraw/zinc/06/25/61/198062561.db2.gz JVRRVMXWOHOHCE-LLVKDONJSA-N 2 1 251.330 1.882 20 5 CDBDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168566 360426213 /nfs/dbraw/zinc/42/62/13/360426213.db2.gz UGCLHGDHCKRMPS-TZMCWYRMSA-N 2 1 293.371 1.207 20 5 CDBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168566 360426221 /nfs/dbraw/zinc/42/62/21/360426221.db2.gz UGCLHGDHCKRMPS-TZMCWYRMSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168566 360426227 /nfs/dbraw/zinc/42/62/27/360426227.db2.gz UGCLHGDHCKRMPS-TZMCWYRMSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168566 360426231 /nfs/dbraw/zinc/42/62/31/360426231.db2.gz UGCLHGDHCKRMPS-TZMCWYRMSA-N 2 1 293.371 1.207 20 5 CDBDMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000577620787 317368663 /nfs/dbraw/zinc/36/86/63/317368663.db2.gz QZKONNVUTGJEAE-QWHCGFSZSA-N 2 1 265.313 1.443 20 5 CDBDMP [NH3+][C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414892494 371032520 /nfs/dbraw/zinc/03/25/20/371032520.db2.gz JFXZOUAKDKYQLN-HSBHDXMMSA-N 2 1 261.325 1.935 20 5 CDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH3+] ZINC000414942696 371136882 /nfs/dbraw/zinc/13/68/82/371136882.db2.gz KNIXSEGTYGEBOJ-MNOVXSKESA-N 2 1 251.330 1.853 20 5 CDBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000442760606 392492456 /nfs/dbraw/zinc/49/24/56/392492456.db2.gz VDCNFQPASODFGG-RYUDHWBXSA-N 2 1 279.340 1.643 20 5 CDBDMP CCC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305688 392960984 /nfs/dbraw/zinc/96/09/84/392960984.db2.gz CENCZBIFWHTYQM-STQMWFEESA-N 2 1 295.387 1.864 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423232135 392961173 /nfs/dbraw/zinc/96/11/73/392961173.db2.gz HNGPYCRAJLXHCP-AAEUAGOBSA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000261755675 140384869 /nfs/dbraw/zinc/38/48/69/140384869.db2.gz QPWVYDJYZPHTCW-CQSZACIVSA-N 2 1 279.340 1.644 20 5 CDBDMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995985 277083424 /nfs/dbraw/zinc/08/34/24/277083424.db2.gz JWIWRPJQSGFBKI-QWHCGFSZSA-N 2 1 293.371 1.207 20 5 CDBDMP C[N@H+]1CCC[C@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995985 277083425 /nfs/dbraw/zinc/08/34/25/277083425.db2.gz JWIWRPJQSGFBKI-QWHCGFSZSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995985 277083426 /nfs/dbraw/zinc/08/34/26/277083426.db2.gz JWIWRPJQSGFBKI-QWHCGFSZSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995985 277083427 /nfs/dbraw/zinc/08/34/27/277083427.db2.gz JWIWRPJQSGFBKI-QWHCGFSZSA-N 2 1 293.371 1.207 20 5 CDBDMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967499 1161996363 /nfs/dbraw/zinc/99/63/63/1161996363.db2.gz QFFCBAWLHYUNRX-QWRGUYRKSA-N 2 1 252.318 1.311 20 5 CDBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C[NH3+] ZINC001575923734 1171297862 /nfs/dbraw/zinc/29/78/62/1171297862.db2.gz OEMANRHIPRAFHW-SNVBAGLBSA-N 2 1 294.355 1.639 20 5 CDBDMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000131600659 743363726 /nfs/dbraw/zinc/36/37/26/743363726.db2.gz SVACIUJHKBHBGW-ZYHUDNBSSA-N 2 1 279.340 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000131600659 743363736 /nfs/dbraw/zinc/36/37/36/743363736.db2.gz SVACIUJHKBHBGW-ZYHUDNBSSA-N 2 1 279.340 1.773 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518776 747890396 /nfs/dbraw/zinc/89/03/96/747890396.db2.gz NQDKTSJZCYQHRF-QWHCGFSZSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518776 747890399 /nfs/dbraw/zinc/89/03/99/747890399.db2.gz NQDKTSJZCYQHRF-QWHCGFSZSA-N 2 1 291.351 1.515 20 5 CDBDMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049586 927666971 /nfs/dbraw/zinc/66/69/71/927666971.db2.gz WOIIXERJQPHXHI-GXTWGEPZSA-N 2 1 269.389 1.848 20 5 CDBDMP C[N+](C)(C)CCCOC1C[NH+](Cc2ccccc2)C1 ZINC001224619768 941776740 /nfs/dbraw/zinc/77/67/40/941776740.db2.gz QFOYLASMTFTDKY-UHFFFAOYSA-N 2 1 263.405 1.984 20 5 CDBDMP C[N@H+](CCOCC[NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600734620 342246173 /nfs/dbraw/zinc/24/61/73/342246173.db2.gz IBRHTKCORQIWPH-UHFFFAOYSA-N 2 1 287.747 1.655 20 5 CDBDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600734620 342246174 /nfs/dbraw/zinc/24/61/74/342246174.db2.gz IBRHTKCORQIWPH-UHFFFAOYSA-N 2 1 287.747 1.655 20 5 CDBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000112839628 366159318 /nfs/dbraw/zinc/15/93/18/366159318.db2.gz IFQSMYHTDFJCBU-CABCVRRESA-N 2 1 291.351 1.548 20 5 CDBDMP COc1ccc(OCC[N@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420329972 244092840 /nfs/dbraw/zinc/09/28/40/244092840.db2.gz KNPUOMCRGPXOBJ-UHFFFAOYSA-N 2 1 295.339 1.404 20 5 CDBDMP COc1ccc(OCC[N@@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420329972 244092843 /nfs/dbraw/zinc/09/28/43/244092843.db2.gz KNPUOMCRGPXOBJ-UHFFFAOYSA-N 2 1 295.339 1.404 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000351491336 375303363 /nfs/dbraw/zinc/30/33/63/375303363.db2.gz JOLNWLKSDYVIPR-NILFDRSVSA-N 2 1 291.351 1.643 20 5 CDBDMP CN(CC[C@@H]1CCCC[N@H+]1C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877351 379602066 /nfs/dbraw/zinc/60/20/66/379602066.db2.gz DKNKSZXBRJATJN-ZDUSSCGKSA-N 2 1 295.387 1.598 20 5 CDBDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877351 379602070 /nfs/dbraw/zinc/60/20/70/379602070.db2.gz DKNKSZXBRJATJN-ZDUSSCGKSA-N 2 1 295.387 1.598 20 5 CDBDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877351 379602074 /nfs/dbraw/zinc/60/20/74/379602074.db2.gz DKNKSZXBRJATJN-ZDUSSCGKSA-N 2 1 295.387 1.598 20 5 CDBDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877351 379602081 /nfs/dbraw/zinc/60/20/81/379602081.db2.gz DKNKSZXBRJATJN-ZDUSSCGKSA-N 2 1 295.387 1.598 20 5 CDBDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877351 379602090 /nfs/dbraw/zinc/60/20/90/379602090.db2.gz DKNKSZXBRJATJN-ZDUSSCGKSA-N 2 1 295.387 1.598 20 5 CDBDMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925513806 617420172 /nfs/dbraw/zinc/42/01/72/617420172.db2.gz MBZJFFFZLRVYHY-ZDUSSCGKSA-N 2 1 263.341 1.867 20 5 CDBDMP COc1ccc(C[C@H](C)[NH2+]C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170297692 1162327973 /nfs/dbraw/zinc/32/79/73/1162327973.db2.gz QSQUTVFNKUUUJE-JTQLQIEISA-N 2 1 281.356 1.861 20 5 CDBDMP [NH3+]C/C=C\C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001580280827 1172392154 /nfs/dbraw/zinc/39/21/54/1172392154.db2.gz RVBBNJOERSCHFW-UPHRSURJSA-N 2 1 262.269 1.341 20 5 CDBDMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817977464 750479422 /nfs/dbraw/zinc/47/94/22/750479422.db2.gz KSTSDTBWAMYAMK-UFAOYGAJSA-N 2 1 262.313 1.045 20 5 CDBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923330292 750898646 /nfs/dbraw/zinc/89/86/46/750898646.db2.gz BOYQKPOOMFZVHP-SUHUHFCYSA-N 2 1 279.340 1.297 20 5 CDBDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000923515643 752838713 /nfs/dbraw/zinc/83/87/13/752838713.db2.gz JHMMAGGRTPVKOH-UONOGXRCSA-N 2 1 275.352 1.945 20 5 CDBDMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000923515643 752838717 /nfs/dbraw/zinc/83/87/17/752838717.db2.gz JHMMAGGRTPVKOH-UONOGXRCSA-N 2 1 275.352 1.945 20 5 CDBDMP C[NH+](C)/C=C/c1cc(N[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156580399 938389074 /nfs/dbraw/zinc/38/90/74/938389074.db2.gz AWPGMSGUCJGJJH-FUEXJSSKSA-N 2 1 291.355 1.638 20 5 CDBDMP C[NH+](C)/C=C/c1cc(N[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156580399 938389076 /nfs/dbraw/zinc/38/90/76/938389076.db2.gz AWPGMSGUCJGJJH-FUEXJSSKSA-N 2 1 291.355 1.638 20 5 CDBDMP C[NH2+]CCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000261974652 357349337 /nfs/dbraw/zinc/34/93/37/357349337.db2.gz FKPXVIWZIAAFDC-UHFFFAOYSA-N 2 1 281.360 1.150 20 5 CDBDMP C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430919767 390942460 /nfs/dbraw/zinc/94/24/60/390942460.db2.gz MCZLIPLFAKDQOX-BXUZGUMPSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430919767 390942461 /nfs/dbraw/zinc/94/24/61/390942461.db2.gz MCZLIPLFAKDQOX-BXUZGUMPSA-N 2 1 279.340 1.643 20 5 CDBDMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430650205 393105013 /nfs/dbraw/zinc/10/50/13/393105013.db2.gz UMKWVVIWQXIPAU-ZDUSSCGKSA-N 2 1 293.367 1.905 20 5 CDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430650205 393105021 /nfs/dbraw/zinc/10/50/21/393105021.db2.gz UMKWVVIWQXIPAU-ZDUSSCGKSA-N 2 1 293.367 1.905 20 5 CDBDMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430936067 393105502 /nfs/dbraw/zinc/10/55/02/393105502.db2.gz WSVBDLONYTYCEW-LLVKDONJSA-N 2 1 292.339 1.204 20 5 CDBDMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967498 1161996250 /nfs/dbraw/zinc/99/62/50/1161996250.db2.gz QFFCBAWLHYUNRX-MNOVXSKESA-N 2 1 252.318 1.311 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422722666 536956102 /nfs/dbraw/zinc/95/61/02/536956102.db2.gz YKSPKDMEDKZGMG-ZJUUUORDSA-N 2 1 267.329 1.819 20 5 CDBDMP [NH3+]CC[N@H+](CCO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900444 912036457 /nfs/dbraw/zinc/03/64/57/912036457.db2.gz UBHHHVHKKQXVET-CQSZACIVSA-N 2 1 293.367 1.095 20 5 CDBDMP [NH3+]CC[N@@H+](CCO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900444 912036469 /nfs/dbraw/zinc/03/64/69/912036469.db2.gz UBHHHVHKKQXVET-CQSZACIVSA-N 2 1 293.367 1.095 20 5 CDBDMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046730 927665890 /nfs/dbraw/zinc/66/58/90/927665890.db2.gz MIQDLCCBGQKLJV-STQMWFEESA-N 2 1 257.378 1.705 20 5 CDBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575205 947535032 /nfs/dbraw/zinc/53/50/32/947535032.db2.gz PPFQPLBRSMXYFN-IUODEOHRSA-N 2 1 289.379 1.993 20 5 CDBDMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001246548904 948256672 /nfs/dbraw/zinc/25/66/72/948256672.db2.gz KSGIIRTVIHOOEA-UPJWGTAASA-N 2 1 273.352 1.585 20 5 CDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH2+]C1 ZINC000592495893 342697098 /nfs/dbraw/zinc/69/70/98/342697098.db2.gz WEOWIPSJWGRJHV-GFCCVEGCSA-N 2 1 263.341 1.679 20 5 CDBDMP C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1CCC[NH3+] ZINC000595904648 343188021 /nfs/dbraw/zinc/18/80/21/343188021.db2.gz JRHLRTRPLFNWFV-CHWSQXEVSA-N 2 1 295.387 1.631 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360551180 357446351 /nfs/dbraw/zinc/44/63/51/357446351.db2.gz KRLFYLKBSNRJMI-OAHLLOKOSA-N 2 1 291.351 1.659 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360551180 357446356 /nfs/dbraw/zinc/44/63/56/357446356.db2.gz KRLFYLKBSNRJMI-OAHLLOKOSA-N 2 1 291.351 1.659 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567449 357463197 /nfs/dbraw/zinc/46/31/97/357463197.db2.gz FCTJQGBSCYLJAJ-OAHLLOKOSA-N 2 1 291.351 1.659 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567449 357463203 /nfs/dbraw/zinc/46/32/03/357463203.db2.gz FCTJQGBSCYLJAJ-OAHLLOKOSA-N 2 1 291.351 1.659 20 5 CDBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330965000 374877870 /nfs/dbraw/zinc/87/78/70/374877870.db2.gz AIGOWOWGQUPREY-CHWSQXEVSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330965000 374877879 /nfs/dbraw/zinc/87/78/79/374877879.db2.gz AIGOWOWGQUPREY-CHWSQXEVSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330965000 374877886 /nfs/dbraw/zinc/87/78/86/374877886.db2.gz AIGOWOWGQUPREY-CHWSQXEVSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330965000 374877893 /nfs/dbraw/zinc/87/78/93/374877893.db2.gz AIGOWOWGQUPREY-CHWSQXEVSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235843 392960083 /nfs/dbraw/zinc/96/00/83/392960083.db2.gz BLIFJWMSVHRWFY-RYUDHWBXSA-N 2 1 281.360 1.474 20 5 CDBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905049217 626385633 /nfs/dbraw/zinc/38/56/33/626385633.db2.gz IRZGNBNGNFUBAO-UHFFFAOYSA-N 2 1 265.357 1.893 20 5 CDBDMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168996090 927604074 /nfs/dbraw/zinc/60/40/74/927604074.db2.gz UYOCXWBWIUDTIN-AAVRWANBSA-N 2 1 297.399 1.403 20 5 CDBDMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001246592815 932016342 /nfs/dbraw/zinc/01/63/42/932016342.db2.gz WAUKDOUWNQQOGO-WISYIIOYSA-N 2 1 259.325 1.193 20 5 CDBDMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001246592815 932016349 /nfs/dbraw/zinc/01/63/49/932016349.db2.gz WAUKDOUWNQQOGO-WISYIIOYSA-N 2 1 259.325 1.193 20 5 CDBDMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572071 947530698 /nfs/dbraw/zinc/53/06/98/947530698.db2.gz HVLUIBPWJQJZNV-SMDDNHRTSA-N 2 1 275.352 1.603 20 5 CDBDMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246865912 948492026 /nfs/dbraw/zinc/49/20/26/948492026.db2.gz DESZRUCZPSPAIJ-YUTCNCBUSA-N 2 1 259.309 1.095 20 5 CDBDMP [NH3+][C@]12C[C@H]1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246865912 948492031 /nfs/dbraw/zinc/49/20/31/948492031.db2.gz DESZRUCZPSPAIJ-YUTCNCBUSA-N 2 1 259.309 1.095 20 5 CDBDMP COc1ccc(OCC[N@@H+](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473621 342698613 /nfs/dbraw/zinc/69/86/13/342698613.db2.gz HPDXLPFZQZIUOK-UHFFFAOYSA-N 2 1 283.328 1.263 20 5 CDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000592984099 342751452 /nfs/dbraw/zinc/75/14/52/342751452.db2.gz HSDBRALCCPNIEZ-NEPJUHHUSA-N 2 1 291.355 1.086 20 5 CDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000592984099 342751454 /nfs/dbraw/zinc/75/14/54/342751454.db2.gz HSDBRALCCPNIEZ-NEPJUHHUSA-N 2 1 291.355 1.086 20 5 CDBDMP CC[N@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330965002 359141879 /nfs/dbraw/zinc/14/18/79/359141879.db2.gz AIGOWOWGQUPREY-OLZOCXBDSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330965002 359141884 /nfs/dbraw/zinc/14/18/84/359141884.db2.gz AIGOWOWGQUPREY-OLZOCXBDSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330965002 359141889 /nfs/dbraw/zinc/14/18/89/359141889.db2.gz AIGOWOWGQUPREY-OLZOCXBDSA-N 2 1 295.387 1.596 20 5 CDBDMP C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420403572 244205801 /nfs/dbraw/zinc/20/58/01/244205801.db2.gz LEDRXPWLFXSCKU-CHWSQXEVSA-N 2 1 293.367 1.890 20 5 CDBDMP C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420403572 244205805 /nfs/dbraw/zinc/20/58/05/244205805.db2.gz LEDRXPWLFXSCKU-CHWSQXEVSA-N 2 1 293.367 1.890 20 5 CDBDMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430650203 393104193 /nfs/dbraw/zinc/10/41/93/393104193.db2.gz UMKWVVIWQXIPAU-CYBMUJFWSA-N 2 1 293.367 1.905 20 5 CDBDMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430650203 393104199 /nfs/dbraw/zinc/10/41/99/393104199.db2.gz UMKWVVIWQXIPAU-CYBMUJFWSA-N 2 1 293.367 1.905 20 5 CDBDMP Cc1[nH+]cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1C ZINC000825903823 774354048 /nfs/dbraw/zinc/35/40/48/774354048.db2.gz SUPBKZZRZDXGDB-UHFFFAOYSA-N 2 1 289.339 1.602 20 5 CDBDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169029019 927636202 /nfs/dbraw/zinc/63/62/02/927636202.db2.gz TWHLRGVKGNBISE-ZIAGYGMSSA-N 2 1 269.389 1.705 20 5 CDBDMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039922 927653212 /nfs/dbraw/zinc/65/32/12/927653212.db2.gz VVMHGVXYAOJIML-DOMZBBRYSA-N 2 1 281.400 1.990 20 5 CDBDMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254603640 947552400 /nfs/dbraw/zinc/55/24/00/947552400.db2.gz PFULQCIRBRNEEG-LZWOXQAQSA-N 2 1 287.363 1.555 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012425 948574304 /nfs/dbraw/zinc/57/43/04/948574304.db2.gz DKMVIEVPCUFOKW-RFGFWPKPSA-N 2 1 267.373 1.506 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012425 948574308 /nfs/dbraw/zinc/57/43/08/948574308.db2.gz DKMVIEVPCUFOKW-RFGFWPKPSA-N 2 1 267.373 1.506 20 5 CDBDMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000401828975 349724656 /nfs/dbraw/zinc/72/46/56/349724656.db2.gz FEUFETPYXGQURK-UHFFFAOYSA-N 2 1 274.324 1.969 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107856121 186195103 /nfs/dbraw/zinc/19/51/03/186195103.db2.gz AGNZGECUDYWLPE-BETUJISGSA-N 2 1 261.325 1.289 20 5 CDBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957562 359152399 /nfs/dbraw/zinc/15/23/99/359152399.db2.gz ISPDZAUAALZIMK-QWHCGFSZSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957562 359152403 /nfs/dbraw/zinc/15/24/03/359152403.db2.gz ISPDZAUAALZIMK-QWHCGFSZSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957562 359152407 /nfs/dbraw/zinc/15/24/07/359152407.db2.gz ISPDZAUAALZIMK-QWHCGFSZSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957562 359152411 /nfs/dbraw/zinc/15/24/11/359152411.db2.gz ISPDZAUAALZIMK-QWHCGFSZSA-N 2 1 295.387 1.596 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000261869986 285142071 /nfs/dbraw/zinc/14/20/71/285142071.db2.gz XGJHQCFDVRGOLX-UHFFFAOYSA-N 2 1 275.352 1.953 20 5 CDBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000442771949 392493338 /nfs/dbraw/zinc/49/33/38/392493338.db2.gz UGNZIXDRSWRSMZ-RYUDHWBXSA-N 2 1 279.340 1.643 20 5 CDBDMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967097 1161996265 /nfs/dbraw/zinc/99/62/65/1161996265.db2.gz NGWYKRXTBSVAPA-FRRDWIJNSA-N 2 1 255.362 1.506 20 5 CDBDMP O=[N+]([O-])CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000905366076 626785324 /nfs/dbraw/zinc/78/53/24/626785324.db2.gz FNHQTTAHCCJGTL-HNNXBMFYSA-N 2 1 293.367 1.010 20 5 CDBDMP O=[N+]([O-])CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000905366076 626785327 /nfs/dbraw/zinc/78/53/27/626785327.db2.gz FNHQTTAHCCJGTL-HNNXBMFYSA-N 2 1 293.367 1.010 20 5 CDBDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923288500 780938514 /nfs/dbraw/zinc/93/85/14/780938514.db2.gz KPBXPEBHSWLQSU-WHOFXGATSA-N 2 1 293.367 1.687 20 5 CDBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923288500 780938525 /nfs/dbraw/zinc/93/85/25/780938525.db2.gz KPBXPEBHSWLQSU-WHOFXGATSA-N 2 1 293.367 1.687 20 5 CDBDMP [NH3+]C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923280916 923703172 /nfs/dbraw/zinc/70/31/72/923703172.db2.gz LZNMMPVAYPXUGG-FZMZJTMJSA-N 2 1 279.340 1.299 20 5 CDBDMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923280916 923703181 /nfs/dbraw/zinc/70/31/81/923703181.db2.gz LZNMMPVAYPXUGG-FZMZJTMJSA-N 2 1 279.340 1.299 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000923479834 923866552 /nfs/dbraw/zinc/86/65/52/923866552.db2.gz SWORKLOZHBPMSQ-SNVBAGLBSA-N 2 1 250.302 1.161 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000351494095 360612402 /nfs/dbraw/zinc/61/24/02/360612402.db2.gz NHUJMMGZRZHHQS-FRRDWIJNSA-N 2 1 291.351 1.643 20 5 CDBDMP C[C@@H]1CC2(C[N@H+]1CCn1ccc([N+](=O)[O-])n1)CC[NH2+]CC2 ZINC000424295127 392970334 /nfs/dbraw/zinc/97/03/34/392970334.db2.gz QSEMQMIEDUOBFH-GFCCVEGCSA-N 2 1 293.371 1.255 20 5 CDBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCC[NH+](C)C1 ZINC000176246550 148032262 /nfs/dbraw/zinc/03/22/62/148032262.db2.gz QQQUHSRCULOJKQ-GFCCVEGCSA-N 2 1 281.360 1.065 20 5 CDBDMP C[NH+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000176246550 148032267 /nfs/dbraw/zinc/03/22/67/148032267.db2.gz QQQUHSRCULOJKQ-GFCCVEGCSA-N 2 1 281.360 1.065 20 5 CDBDMP C[NH+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000176246550 148032269 /nfs/dbraw/zinc/03/22/69/148032269.db2.gz QQQUHSRCULOJKQ-GFCCVEGCSA-N 2 1 281.360 1.065 20 5 CDBDMP [NH3+]CC1(O)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000397096721 270346276 /nfs/dbraw/zinc/34/62/76/270346276.db2.gz KSOOJPATMNLWKC-UHFFFAOYSA-N 2 1 299.758 1.534 20 5 CDBDMP C[NH+](C)/C=C/c1cc(-n2ccc(C[NH3+])c2)ncc1[N+](=O)[O-] ZINC001158767070 1163558375 /nfs/dbraw/zinc/55/83/75/1163558375.db2.gz NIKGQXWXAZCSSR-SNAWJCMRSA-N 2 1 287.323 1.772 20 5 CDBDMP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000923361700 923790527 /nfs/dbraw/zinc/79/05/27/923790527.db2.gz KYKDSTQQALHEDP-GDKBPFBDSA-N 2 1 265.313 1.050 20 5 CDBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000923361700 923790534 /nfs/dbraw/zinc/79/05/34/923790534.db2.gz KYKDSTQQALHEDP-GDKBPFBDSA-N 2 1 265.313 1.050 20 5 CDBDMP [NH3+]CC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841107644 936975872 /nfs/dbraw/zinc/97/58/72/936975872.db2.gz JSJZGTUCPGAZDD-UHFFFAOYSA-N 2 1 299.758 1.534 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001169052551 927669519 /nfs/dbraw/zinc/66/95/19/927669519.db2.gz HEJGJPQYISKVFO-OCCSQVGLSA-N 2 1 267.373 1.602 20 5 CDBDMP C[N@@H+](CCOCC[NH3+])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863652750 929585018 /nfs/dbraw/zinc/58/50/18/929585018.db2.gz UGQYHSPQPPOJFL-UHFFFAOYSA-N 2 1 287.747 1.655 20 5 CDBDMP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1(C[NH3+])CCCCC1 ZINC000883453906 930208797 /nfs/dbraw/zinc/20/87/97/930208797.db2.gz JLMZSWANQCCTSB-UHFFFAOYSA-N 2 1 281.360 1.385 20 5 CDBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1(C[NH3+])CCCCC1 ZINC000883453906 930208804 /nfs/dbraw/zinc/20/88/04/930208804.db2.gz JLMZSWANQCCTSB-UHFFFAOYSA-N 2 1 281.360 1.385 20 5 CDBDMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817936870 930635843 /nfs/dbraw/zinc/63/58/43/930635843.db2.gz RXCFDCUTUFYRAY-VIFPVBQESA-N 2 1 264.329 1.580 20 5 CDBDMP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059955 930751479 /nfs/dbraw/zinc/75/14/79/930751479.db2.gz JGFAEQPIMGZECP-FZMZJTMJSA-N 2 1 281.356 1.558 20 5 CDBDMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246359734 948130138 /nfs/dbraw/zinc/13/01/38/948130138.db2.gz VVQFIRUSHNOWQL-WCQYABFASA-N 2 1 293.367 1.876 20 5 CDBDMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859296 948484828 /nfs/dbraw/zinc/48/48/28/948484828.db2.gz JIMOVCDLYLWLNP-CFVMTHIKSA-N 2 1 273.336 1.485 20 5 CDBDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420385964 244185903 /nfs/dbraw/zinc/18/59/03/244185903.db2.gz HTUSLWPWBPAAGD-UHFFFAOYSA-N 2 1 294.355 1.465 20 5 CDBDMP C[NH2+]CCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000420394323 244195434 /nfs/dbraw/zinc/19/54/34/244195434.db2.gz ZQUTZJNABCPLAA-UHFFFAOYSA-N 2 1 267.329 1.515 20 5 CDBDMP C[NH2+]CCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000420394323 244195441 /nfs/dbraw/zinc/19/54/41/244195441.db2.gz ZQUTZJNABCPLAA-UHFFFAOYSA-N 2 1 267.329 1.515 20 5 CDBDMP C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420403578 244206585 /nfs/dbraw/zinc/20/65/85/244206585.db2.gz LEDRXPWLFXSCKU-STQMWFEESA-N 2 1 293.367 1.890 20 5 CDBDMP C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420403578 244206589 /nfs/dbraw/zinc/20/65/89/244206589.db2.gz LEDRXPWLFXSCKU-STQMWFEESA-N 2 1 293.367 1.890 20 5 CDBDMP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414840207 370496340 /nfs/dbraw/zinc/49/63/40/370496340.db2.gz YFNASLAEIOKEQZ-LBPRGKRZSA-N 2 1 279.340 1.693 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422719424 245175446 /nfs/dbraw/zinc/17/54/46/245175446.db2.gz RDDGMNLUCILLRW-MFKMUULPSA-N 2 1 279.340 1.820 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000351477535 375301023 /nfs/dbraw/zinc/30/10/23/375301023.db2.gz NLTDELJABWIZAK-BYCMXARLSA-N 2 1 291.351 1.643 20 5 CDBDMP CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000435614088 248177541 /nfs/dbraw/zinc/17/75/41/248177541.db2.gz LWOSWKYYZKZGQY-LBPRGKRZSA-N 2 1 281.360 1.255 20 5 CDBDMP C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430919768 390942400 /nfs/dbraw/zinc/94/24/00/390942400.db2.gz MCZLIPLFAKDQOX-FZMZJTMJSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430919768 390942401 /nfs/dbraw/zinc/94/24/01/390942401.db2.gz MCZLIPLFAKDQOX-FZMZJTMJSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375664 392961803 /nfs/dbraw/zinc/96/18/03/392961803.db2.gz UPIJGKQEYAGNMB-GXFFZTMASA-N 2 1 263.341 1.853 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073195 317261538 /nfs/dbraw/zinc/26/15/38/317261538.db2.gz MMAQFIQKOHAHGG-NEPJUHHUSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073195 317261543 /nfs/dbraw/zinc/26/15/43/317261543.db2.gz MMAQFIQKOHAHGG-NEPJUHHUSA-N 2 1 279.340 1.785 20 5 CDBDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957331 786637407 /nfs/dbraw/zinc/63/74/07/786637407.db2.gz AYRNLWZKLSHFRO-SKDRFNHKSA-N 2 1 266.345 1.811 20 5 CDBDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168966478 927588820 /nfs/dbraw/zinc/58/88/20/927588820.db2.gz ILMXFZMFLARMKN-XHJNMGKDSA-N 2 1 267.373 1.647 20 5 CDBDMP Cc1ncc2n1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010239 927614775 /nfs/dbraw/zinc/61/47/75/927614775.db2.gz BRMAYLZVDWKPBD-NWDGAFQWSA-N 2 1 264.329 1.453 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246447268 948178078 /nfs/dbraw/zinc/17/80/78/948178078.db2.gz VCWAONYTDOFXNF-MFKMUULPSA-N 2 1 261.325 1.477 20 5 CDBDMP CCCn1ccnc1CCC[N@@H+](C)CC[N+](=O)[O-] ZINC001332989892 958000421 /nfs/dbraw/zinc/00/04/21/958000421.db2.gz DJJHSYYWTIUEQX-UHFFFAOYSA-N 2 1 254.334 1.434 20 5 CDBDMP C[NH+](C)C1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601135929 342476369 /nfs/dbraw/zinc/47/63/69/342476369.db2.gz MEHUZEPCYREYCA-UHFFFAOYSA-N 2 1 272.308 1.893 20 5 CDBDMP Cc1noc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344349 343043748 /nfs/dbraw/zinc/04/37/48/343043748.db2.gz CKASDRBKUICNJG-NEPJUHHUSA-N 2 1 294.355 1.807 20 5 CDBDMP CC[N@@H+](C)C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000580842059 363949415 /nfs/dbraw/zinc/94/94/15/363949415.db2.gz VAPCSJVWXAEGFE-GFCCVEGCSA-N 2 1 295.383 1.732 20 5 CDBDMP C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000420401809 244204104 /nfs/dbraw/zinc/20/41/04/244204104.db2.gz JNARYCDNUHEBHF-QWHCGFSZSA-N 2 1 293.367 1.890 20 5 CDBDMP C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420406036 244207883 /nfs/dbraw/zinc/20/78/83/244207883.db2.gz NIFWZHKCFSBNML-STQMWFEESA-N 2 1 293.367 1.890 20 5 CDBDMP C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000400457707 373722059 /nfs/dbraw/zinc/72/20/59/373722059.db2.gz SXIWMFSTNYSQPZ-BXUZGUMPSA-N 2 1 263.341 1.867 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000261602085 140361219 /nfs/dbraw/zinc/36/12/19/140361219.db2.gz QHSMHPXMUBWXED-FPMFFAJLSA-N 2 1 261.325 1.764 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000261602085 140361220 /nfs/dbraw/zinc/36/12/20/140361220.db2.gz QHSMHPXMUBWXED-FPMFFAJLSA-N 2 1 261.325 1.764 20 5 CDBDMP C[C@H]1CC2(C[N@H+]1CCn1ccc([N+](=O)[O-])n1)CC[NH2+]CC2 ZINC000424295130 278327912 /nfs/dbraw/zinc/32/79/12/278327912.db2.gz QSEMQMIEDUOBFH-LBPRGKRZSA-N 2 1 293.371 1.255 20 5 CDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000423204996 280377477 /nfs/dbraw/zinc/37/74/77/280377477.db2.gz BGAWBDCGGXPTHZ-SDDRHHMPSA-N 2 1 279.344 1.227 20 5 CDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000126714990 790339658 /nfs/dbraw/zinc/33/96/58/790339658.db2.gz QMBSXWCSJRIZQQ-ZLDLUXBVSA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000126714990 790339672 /nfs/dbraw/zinc/33/96/72/790339672.db2.gz QMBSXWCSJRIZQQ-ZLDLUXBVSA-N 2 1 293.367 1.701 20 5 CDBDMP Cn1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000883439498 795237165 /nfs/dbraw/zinc/23/71/65/795237165.db2.gz STFKRCIPYFSUEM-CQSZACIVSA-N 2 1 295.387 1.525 20 5 CDBDMP Cn1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000883439498 795237189 /nfs/dbraw/zinc/23/71/89/795237189.db2.gz STFKRCIPYFSUEM-CQSZACIVSA-N 2 1 295.387 1.525 20 5 CDBDMP [NH3+]CC[N@H+](CCO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900434 912036760 /nfs/dbraw/zinc/03/67/60/912036760.db2.gz UBHHHVHKKQXVET-AWEZNQCLSA-N 2 1 293.367 1.095 20 5 CDBDMP [NH3+]CC[N@@H+](CCO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900434 912036771 /nfs/dbraw/zinc/03/67/71/912036771.db2.gz UBHHHVHKKQXVET-AWEZNQCLSA-N 2 1 293.367 1.095 20 5 CDBDMP C[C@@H]([NH3+])CCNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001159777629 930832599 /nfs/dbraw/zinc/83/25/99/930832599.db2.gz ACFOPIIGLWUBJQ-BREXMAIKSA-N 2 1 279.344 1.671 20 5 CDBDMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654662 343372114 /nfs/dbraw/zinc/37/21/14/343372114.db2.gz LHSUXDJNTNNSMF-TUAOUCFPSA-N 2 1 281.360 1.473 20 5 CDBDMP [NH3+]CCCOC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000094070686 147076287 /nfs/dbraw/zinc/07/62/87/147076287.db2.gz KPOKJXMXTCSODF-UHFFFAOYSA-N 2 1 299.396 1.986 20 5 CDBDMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967096 1161996373 /nfs/dbraw/zinc/99/63/73/1161996373.db2.gz NGWYKRXTBSVAPA-AVGNSLFASA-N 2 1 255.362 1.506 20 5 CDBDMP C[N@H+](CCC[NH+]1CCCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000337276034 522747559 /nfs/dbraw/zinc/74/75/59/522747559.db2.gz QQIGFUNRRDPVLX-UHFFFAOYSA-N 2 1 281.360 1.209 20 5 CDBDMP C[N@@H+](CCC[NH+]1CCCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000337276034 522747566 /nfs/dbraw/zinc/74/75/66/522747566.db2.gz QQIGFUNRRDPVLX-UHFFFAOYSA-N 2 1 281.360 1.209 20 5 CDBDMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817941263 930640765 /nfs/dbraw/zinc/64/07/65/930640765.db2.gz QNUNTLSPXIJHQY-VIFPVBQESA-N 2 1 252.318 1.437 20 5 CDBDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925627556 932917656 /nfs/dbraw/zinc/91/76/56/932917656.db2.gz BQYDZJSSYRWVJA-BXUZGUMPSA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224773076 941790337 /nfs/dbraw/zinc/79/03/37/941790337.db2.gz DJEZJLZRBJRQQU-HUUCEWRRSA-N 2 1 278.420 1.940 20 5 CDBDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420366938 535040491 /nfs/dbraw/zinc/04/04/91/535040491.db2.gz RNBNKUCEXHKCHR-CYBMUJFWSA-N 2 1 281.356 1.937 20 5 CDBDMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293740322 364474196 /nfs/dbraw/zinc/47/41/96/364474196.db2.gz NNBOMQWRPGTIDX-SNVBAGLBSA-N 2 1 266.345 1.779 20 5 CDBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414878342 368638588 /nfs/dbraw/zinc/63/85/88/368638588.db2.gz HDWLUDKOYMFNHT-JTQLQIEISA-N 2 1 267.329 1.820 20 5 CDBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414870728 370919063 /nfs/dbraw/zinc/91/90/63/370919063.db2.gz CGNFKQJVEFGGRF-SNVBAGLBSA-N 2 1 267.329 1.678 20 5 CDBDMP C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000423015311 374366157 /nfs/dbraw/zinc/36/61/57/374366157.db2.gz QTKWNHDJOREASH-SMDDNHRTSA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251881276 140314569 /nfs/dbraw/zinc/31/45/69/140314569.db2.gz UVCPZJGTJQGMGS-BXUZGUMPSA-N 2 1 263.341 1.806 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000261660839 140370425 /nfs/dbraw/zinc/37/04/25/140370425.db2.gz ZEBYJHSQLAOUSM-MRVWCRGKSA-N 2 1 261.325 1.764 20 5 CDBDMP O=[N+]([O-])CCNCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000905033130 626376212 /nfs/dbraw/zinc/37/62/12/626376212.db2.gz BUYIOFTXJCEAJY-UHFFFAOYSA-N 2 1 292.383 1.065 20 5 CDBDMP O=[N+]([O-])CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000905366078 626785395 /nfs/dbraw/zinc/78/53/95/626785395.db2.gz FNHQTTAHCCJGTL-OAHLLOKOSA-N 2 1 293.367 1.010 20 5 CDBDMP O=[N+]([O-])CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000905366078 626785398 /nfs/dbraw/zinc/78/53/98/626785398.db2.gz FNHQTTAHCCJGTL-OAHLLOKOSA-N 2 1 293.367 1.010 20 5 CDBDMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158622565 1178225402 /nfs/dbraw/zinc/22/54/02/1178225402.db2.gz BRXAPZKLNGDEDF-FZMZJTMJSA-N 2 1 279.340 1.170 20 5 CDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000819105844 811802991 /nfs/dbraw/zinc/80/29/91/811802991.db2.gz QFBTYKFAZAYKCL-OSAQELSMSA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000819105844 811802998 /nfs/dbraw/zinc/80/29/98/811802998.db2.gz QFBTYKFAZAYKCL-OSAQELSMSA-N 2 1 293.367 1.701 20 5 CDBDMP C[N@H+](CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000103461997 814313272 /nfs/dbraw/zinc/31/32/72/814313272.db2.gz BDEFSDQSPOVDEU-UHFFFAOYSA-N 2 1 267.333 1.022 20 5 CDBDMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000103461997 814313287 /nfs/dbraw/zinc/31/32/87/814313287.db2.gz BDEFSDQSPOVDEU-UHFFFAOYSA-N 2 1 267.333 1.022 20 5 CDBDMP C[N@@H+]1CCc2c(N[C@@H]([NH3+])CCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001170903857 930715864 /nfs/dbraw/zinc/71/58/64/930715864.db2.gz LZSBUBVNNZSNOK-CQSZACIVSA-N 3 1 293.371 1.018 20 5 CDBDMP C[N@H+]1CCc2c(N[C@@H]([NH3+])CCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001170903857 930715867 /nfs/dbraw/zinc/71/58/67/930715867.db2.gz LZSBUBVNNZSNOK-CQSZACIVSA-N 3 1 293.371 1.018 20 5 CDBDMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246130810 947975055 /nfs/dbraw/zinc/97/50/55/947975055.db2.gz VVQFIRUSHNOWQL-YPMHNXCESA-N 2 1 293.367 1.876 20 5 CDBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC[NH3+] ZINC000414878344 241434539 /nfs/dbraw/zinc/43/45/39/241434539.db2.gz HDWLUDKOYMFNHT-SNVBAGLBSA-N 2 1 267.329 1.820 20 5 CDBDMP COc1cc(C[NH2+]C[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000414888251 369108966 /nfs/dbraw/zinc/10/89/66/369108966.db2.gz ZVCOJCCLXFLJGS-VIFPVBQESA-N 2 1 283.328 1.296 20 5 CDBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759364 392491931 /nfs/dbraw/zinc/49/19/31/392491931.db2.gz KSJMWYDKZWCTAP-FOSCPWQOSA-N 2 1 279.344 1.006 20 5 CDBDMP C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000400457713 392718381 /nfs/dbraw/zinc/71/83/81/392718381.db2.gz SXIWMFSTNYSQPZ-SMDDNHRTSA-N 2 1 263.341 1.867 20 5 CDBDMP CCC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305686 392960038 /nfs/dbraw/zinc/96/00/38/392960038.db2.gz CENCZBIFWHTYQM-OLZOCXBDSA-N 2 1 295.387 1.864 20 5 CDBDMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430619965 393103112 /nfs/dbraw/zinc/10/31/12/393103112.db2.gz GYIBQTXPIGNFNO-LBPRGKRZSA-N 2 1 279.340 1.644 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000071147596 176043093 /nfs/dbraw/zinc/04/30/93/176043093.db2.gz AKYAZPJTLSIAPT-LBPRGKRZSA-N 2 1 263.341 1.945 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000071147596 176043094 /nfs/dbraw/zinc/04/30/94/176043094.db2.gz AKYAZPJTLSIAPT-LBPRGKRZSA-N 2 1 263.341 1.945 20 5 CDBDMP [NH3+]C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313339882 260285877 /nfs/dbraw/zinc/28/58/77/260285877.db2.gz CNYUHXDRGCBELT-CQSZACIVSA-N 2 1 279.340 1.187 20 5 CDBDMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313339882 260285879 /nfs/dbraw/zinc/28/58/79/260285879.db2.gz CNYUHXDRGCBELT-CQSZACIVSA-N 2 1 279.340 1.187 20 5 CDBDMP Cc1nn(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738076150 576036306 /nfs/dbraw/zinc/03/63/06/576036306.db2.gz MAYJRNIAFLAXAQ-UHFFFAOYSA-N 2 1 295.387 1.639 20 5 CDBDMP C[NH+](C)CC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885958038 818350793 /nfs/dbraw/zinc/35/07/93/818350793.db2.gz CHJQDQKXJJWUGW-UHFFFAOYSA-N 2 1 278.356 1.763 20 5 CDBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000876818375 819395728 /nfs/dbraw/zinc/39/57/28/819395728.db2.gz SUVMDWCFQXDOAZ-STQMWFEESA-N 2 1 275.352 1.863 20 5 CDBDMP Cc1nn(C[N@H+](C)CC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000103462178 822514169 /nfs/dbraw/zinc/51/41/69/822514169.db2.gz OIIGSAWOJJOFPL-UHFFFAOYSA-N 2 1 295.387 1.639 20 5 CDBDMP Cc1nn(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000103462178 822514178 /nfs/dbraw/zinc/51/41/78/822514178.db2.gz OIIGSAWOJJOFPL-UHFFFAOYSA-N 2 1 295.387 1.639 20 5 CDBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(C[NH3+])CC2)c1F ZINC001173182009 912282506 /nfs/dbraw/zinc/28/25/06/912282506.db2.gz XWIWHXYRVNWRGZ-VIFPVBQESA-N 2 1 297.330 1.754 20 5 CDBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006381 927611769 /nfs/dbraw/zinc/61/17/69/927611769.db2.gz HGFONNCCKCABHS-NDBYEHHHSA-N 2 1 255.362 1.362 20 5 CDBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006381 927611761 /nfs/dbraw/zinc/61/17/61/927611761.db2.gz HGFONNCCKCABHS-NDBYEHHHSA-N 2 1 255.362 1.362 20 5 CDBDMP C[NH+]1CCC2(CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169039595 927650797 /nfs/dbraw/zinc/65/07/97/927650797.db2.gz REXKONOTLLJSAL-KBPBESRZSA-N 2 1 281.400 1.850 20 5 CDBDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169050114 927669758 /nfs/dbraw/zinc/66/97/58/927669758.db2.gz YMHYLTWSUJONCT-YIYPIFLZSA-N 2 1 267.373 1.315 20 5 CDBDMP C[NH+](C)/C=C/c1cc(N2CC([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001163940417 939358459 /nfs/dbraw/zinc/35/84/59/939358459.db2.gz JLWCAOAWHYWDTQ-AATRIKPKSA-N 2 1 291.355 1.272 20 5 CDBDMP [NH3+]C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814062 241399517 /nfs/dbraw/zinc/39/95/17/241399517.db2.gz YXJVWHGZDSOVGH-MASHWEEQSA-N 2 1 261.325 1.935 20 5 CDBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414870725 370918685 /nfs/dbraw/zinc/91/86/85/370918685.db2.gz CGNFKQJVEFGGRF-JTQLQIEISA-N 2 1 267.329 1.678 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347074572 373291633 /nfs/dbraw/zinc/29/16/33/373291633.db2.gz SYFPWQUUHUZKFI-LBPRGKRZSA-N 2 1 263.341 1.945 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347074572 373291638 /nfs/dbraw/zinc/29/16/38/373291638.db2.gz SYFPWQUUHUZKFI-LBPRGKRZSA-N 2 1 263.341 1.945 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428047703 247236076 /nfs/dbraw/zinc/23/60/76/247236076.db2.gz ZGQNTAZMNVTUMD-WFASDCNBSA-N 2 1 291.351 1.657 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428047703 247236081 /nfs/dbraw/zinc/23/60/81/247236081.db2.gz ZGQNTAZMNVTUMD-WFASDCNBSA-N 2 1 291.351 1.657 20 5 CDBDMP C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000430932139 393105395 /nfs/dbraw/zinc/10/53/95/393105395.db2.gz FRAQRCZPVKOAFX-SMDDNHRTSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000430932139 393105402 /nfs/dbraw/zinc/10/54/02/393105402.db2.gz FRAQRCZPVKOAFX-SMDDNHRTSA-N 2 1 279.340 1.643 20 5 CDBDMP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000755775202 576960387 /nfs/dbraw/zinc/96/03/87/576960387.db2.gz NXKQNKLUKLSFQS-CYBMUJFWSA-N 2 1 293.371 1.413 20 5 CDBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000755775202 576960388 /nfs/dbraw/zinc/96/03/88/576960388.db2.gz NXKQNKLUKLSFQS-CYBMUJFWSA-N 2 1 293.371 1.413 20 5 CDBDMP C[N@H+]1CC[C@](O)(CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783675092 824410672 /nfs/dbraw/zinc/41/06/72/824410672.db2.gz UXAYIEMPBYTBMQ-ZDUSSCGKSA-N 2 1 299.758 1.404 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886872022 826899501 /nfs/dbraw/zinc/89/95/01/826899501.db2.gz HFLOILMUCYCVTL-AWEZNQCLSA-N 2 1 293.371 1.257 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886872022 826899502 /nfs/dbraw/zinc/89/95/02/826899502.db2.gz HFLOILMUCYCVTL-AWEZNQCLSA-N 2 1 293.371 1.257 20 5 CDBDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965842 927589867 /nfs/dbraw/zinc/58/98/67/927589867.db2.gz CPZVSKUYHNEFRV-HZSPNIEDSA-N 2 1 269.389 1.753 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571722 947531626 /nfs/dbraw/zinc/53/16/26/947531626.db2.gz AUZNLQZZPBPRRO-CQSZACIVSA-N 2 1 286.335 1.857 20 5 CDBDMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246583298 948313136 /nfs/dbraw/zinc/31/31/36/948313136.db2.gz JIPIBINNPPKCSN-MELADBBJSA-N 2 1 269.389 1.883 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420335555 244104907 /nfs/dbraw/zinc/10/49/07/244104907.db2.gz VFRDHBNKHQYDMT-CHWSQXEVSA-N 2 1 293.371 1.113 20 5 CDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]2)n1 ZINC000423235889 245686760 /nfs/dbraw/zinc/68/67/60/245686760.db2.gz NMKCDOGHAXGPAN-JHJVBQTASA-N 2 1 293.371 1.617 20 5 CDBDMP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422951046 374364602 /nfs/dbraw/zinc/36/46/02/374364602.db2.gz ZPHCXAKTGAFDKF-SECBINFHSA-N 2 1 265.313 1.301 20 5 CDBDMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000291693934 533665686 /nfs/dbraw/zinc/66/56/86/533665686.db2.gz JKLMWTHTIOYKLM-LLVKDONJSA-N 2 1 281.356 1.891 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430949911 393107986 /nfs/dbraw/zinc/10/79/86/393107986.db2.gz FJJMYXKZALSTDL-LBPRGKRZSA-N 2 1 279.340 1.515 20 5 CDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430949911 393107990 /nfs/dbraw/zinc/10/79/90/393107990.db2.gz FJJMYXKZALSTDL-LBPRGKRZSA-N 2 1 279.340 1.515 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357099745 157658636 /nfs/dbraw/zinc/65/86/36/157658636.db2.gz DDDQZKUGNPUHOA-STQMWFEESA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357099745 157658638 /nfs/dbraw/zinc/65/86/38/157658638.db2.gz DDDQZKUGNPUHOA-STQMWFEESA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1[C@H]2C[NH2+]C[C@@H]12 ZINC000415045662 280739601 /nfs/dbraw/zinc/73/96/01/280739601.db2.gz WMKRCZVEHOCRDN-FCCXGIRUSA-N 2 1 259.309 1.415 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420362089 618755716 /nfs/dbraw/zinc/75/57/16/618755716.db2.gz YWZRNKUXVNYNSC-ZYHUDNBSSA-N 2 1 267.329 1.216 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420362089 618755719 /nfs/dbraw/zinc/75/57/19/618755719.db2.gz YWZRNKUXVNYNSC-ZYHUDNBSSA-N 2 1 267.329 1.216 20 5 CDBDMP [NH3+]CC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001580284527 1172393200 /nfs/dbraw/zinc/39/32/00/1172393200.db2.gz HLLDHKCOGZSUJY-CYBMUJFWSA-N 2 1 279.340 1.269 20 5 CDBDMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817965440 833086527 /nfs/dbraw/zinc/08/65/27/833086527.db2.gz QLRIOORNMBRIMS-UFBFGSQYSA-N 2 1 264.329 1.565 20 5 CDBDMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992479 927600397 /nfs/dbraw/zinc/60/03/97/927600397.db2.gz JYQYGTFIZGLBKN-JSGCOSHPSA-N 2 1 285.388 1.132 20 5 CDBDMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001261370559 946081459 /nfs/dbraw/zinc/08/14/59/946081459.db2.gz NDXRACMHUNHCNJ-NSHDSACASA-N 2 1 251.330 1.991 20 5 CDBDMP C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001262256841 946551459 /nfs/dbraw/zinc/55/14/59/946551459.db2.gz WJHNWBKETUPCQH-NWDGAFQWSA-N 2 1 255.362 1.506 20 5 CDBDMP C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001262256841 946551466 /nfs/dbraw/zinc/55/14/66/946551466.db2.gz WJHNWBKETUPCQH-NWDGAFQWSA-N 2 1 255.362 1.506 20 5 CDBDMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580593 947536903 /nfs/dbraw/zinc/53/69/03/947536903.db2.gz GSQRRCKAEQSGNH-IINYFYTJSA-N 2 1 263.341 1.589 20 5 CDBDMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001334775466 959350684 /nfs/dbraw/zinc/35/06/84/959350684.db2.gz YPOZWUNPYBIDRT-GSJFWJNXSA-N 2 1 261.325 1.690 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC[NH3+] ZINC000592473647 342698559 /nfs/dbraw/zinc/69/85/59/342698559.db2.gz LLIKLQYLAHTZBR-UHFFFAOYSA-N 2 1 294.355 1.512 20 5 CDBDMP [NH3+]C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430954064 393108046 /nfs/dbraw/zinc/10/80/46/393108046.db2.gz DGSYTFLHHXSFRX-NSHDSACASA-N 2 1 265.313 1.254 20 5 CDBDMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430954064 393108048 /nfs/dbraw/zinc/10/80/48/393108048.db2.gz DGSYTFLHHXSFRX-NSHDSACASA-N 2 1 265.313 1.254 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567448 158573394 /nfs/dbraw/zinc/57/33/94/158573394.db2.gz FCTJQGBSCYLJAJ-HNNXBMFYSA-N 2 1 291.351 1.659 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567448 158573395 /nfs/dbraw/zinc/57/33/95/158573395.db2.gz FCTJQGBSCYLJAJ-HNNXBMFYSA-N 2 1 291.351 1.659 20 5 CDBDMP C[NH+]1CCC([C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000755775205 576960453 /nfs/dbraw/zinc/96/04/53/576960453.db2.gz NXKQNKLUKLSFQS-ZDUSSCGKSA-N 2 1 293.371 1.413 20 5 CDBDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000755775205 576960454 /nfs/dbraw/zinc/96/04/54/576960454.db2.gz NXKQNKLUKLSFQS-ZDUSSCGKSA-N 2 1 293.371 1.413 20 5 CDBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000925628994 838806727 /nfs/dbraw/zinc/80/67/27/838806727.db2.gz JJLCPYRQNQPTEB-AMSCCUFHSA-N 2 1 287.363 1.723 20 5 CDBDMP C[NH+](C)/C=C/c1cc(-n2cc(C[NH3+])cn2)ncc1[N+](=O)[O-] ZINC001157478578 938499653 /nfs/dbraw/zinc/49/96/53/938499653.db2.gz REVSKTQYPRAJLA-ONEGZZNKSA-N 2 1 288.311 1.167 20 5 CDBDMP C[N+](C)(C)CCOC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224772193 941790465 /nfs/dbraw/zinc/79/04/65/941790465.db2.gz WQWUMPJSHPFUMB-KRWDZBQOSA-N 2 1 293.431 1.610 20 5 CDBDMP C[N+](C)(C)CCOC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224772193 941790467 /nfs/dbraw/zinc/79/04/67/941790467.db2.gz WQWUMPJSHPFUMB-KRWDZBQOSA-N 2 1 293.431 1.610 20 5 CDBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOCC[NH3+] ZINC000600735670 342246235 /nfs/dbraw/zinc/24/62/35/342246235.db2.gz NIITYUBDQBKYLN-UHFFFAOYSA-N 2 1 297.355 1.401 20 5 CDBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCC[NH3+] ZINC000600735670 342246236 /nfs/dbraw/zinc/24/62/36/342246236.db2.gz NIITYUBDQBKYLN-UHFFFAOYSA-N 2 1 297.355 1.401 20 5 CDBDMP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000603430551 344803018 /nfs/dbraw/zinc/80/30/18/344803018.db2.gz AFDOKMRKSROPFH-OLZOCXBDSA-N 2 1 279.340 1.819 20 5 CDBDMP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000261886188 357338339 /nfs/dbraw/zinc/33/83/39/357338339.db2.gz VCEAUDMVHSHQQS-CQSZACIVSA-N 2 1 279.340 1.644 20 5 CDBDMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000261886188 357338342 /nfs/dbraw/zinc/33/83/42/357338342.db2.gz VCEAUDMVHSHQQS-CQSZACIVSA-N 2 1 279.340 1.644 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937274 359681062 /nfs/dbraw/zinc/68/10/62/359681062.db2.gz QPMOIJUNJLCNIU-NEPJUHHUSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937274 359681067 /nfs/dbraw/zinc/68/10/67/359681067.db2.gz QPMOIJUNJLCNIU-NEPJUHHUSA-N 2 1 279.340 1.785 20 5 CDBDMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414849333 370592414 /nfs/dbraw/zinc/59/24/14/370592414.db2.gz XZXWPCRLXKCCGE-JTQLQIEISA-N 2 1 251.330 1.848 20 5 CDBDMP CC(C)[NH+]1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358255301 375958057 /nfs/dbraw/zinc/95/80/57/375958057.db2.gz BYUAETLNBNXZEG-UHFFFAOYSA-N 2 1 295.387 1.596 20 5 CDBDMP CC(C)[NH+]1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358255301 375958073 /nfs/dbraw/zinc/95/80/73/375958073.db2.gz BYUAETLNBNXZEG-UHFFFAOYSA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389663 392961862 /nfs/dbraw/zinc/96/18/62/392961862.db2.gz VKQMCUSCLMANOD-UPJWGTAASA-N 2 1 295.387 1.863 20 5 CDBDMP O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923520359 847960450 /nfs/dbraw/zinc/96/04/50/847960450.db2.gz WXAJFQAGOUQXKO-QWHCGFSZSA-N 2 1 261.325 1.636 20 5 CDBDMP O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923520359 847960459 /nfs/dbraw/zinc/96/04/59/847960459.db2.gz WXAJFQAGOUQXKO-QWHCGFSZSA-N 2 1 261.325 1.636 20 5 CDBDMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168996093 927602769 /nfs/dbraw/zinc/60/27/69/927602769.db2.gz UYOCXWBWIUDTIN-XUXIUFHCSA-N 2 1 297.399 1.403 20 5 CDBDMP C[NH+](C)CCC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601086 947549356 /nfs/dbraw/zinc/54/93/56/947549356.db2.gz YYMKKFKMNYKCJY-OAHLLOKOSA-N 2 1 277.368 1.946 20 5 CDBDMP C[NH+](C)CCC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601086 947549367 /nfs/dbraw/zinc/54/93/67/947549367.db2.gz YYMKKFKMNYKCJY-OAHLLOKOSA-N 2 1 277.368 1.946 20 5 CDBDMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420367075 244153473 /nfs/dbraw/zinc/15/34/73/244153473.db2.gz SAWOMHAOJVUMFR-ZDUSSCGKSA-N 2 1 281.356 1.937 20 5 CDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC[NH2+]2)n1 ZINC000423235891 285168864 /nfs/dbraw/zinc/16/88/64/285168864.db2.gz NMKCDOGHAXGPAN-YNEHKIRRSA-N 2 1 293.371 1.617 20 5 CDBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261661154 140371232 /nfs/dbraw/zinc/37/12/32/140371232.db2.gz KLIFMQXMAOIKOE-HNNXBMFYSA-N 2 1 290.367 1.074 20 5 CDBDMP C[NH+](C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372990284 160163577 /nfs/dbraw/zinc/16/35/77/160163577.db2.gz PBZBZZGHBFLDHG-GFCCVEGCSA-N 2 1 281.360 1.207 20 5 CDBDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372990284 160163578 /nfs/dbraw/zinc/16/35/78/160163578.db2.gz PBZBZZGHBFLDHG-GFCCVEGCSA-N 2 1 281.360 1.207 20 5 CDBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C[NH3+] ZINC001575923731 1171297471 /nfs/dbraw/zinc/29/74/71/1171297471.db2.gz OEMANRHIPRAFHW-JTQLQIEISA-N 2 1 294.355 1.639 20 5 CDBDMP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357096 698053812 /nfs/dbraw/zinc/05/38/12/698053812.db2.gz WBBLLIAAKNHJSL-KGLIPLIRSA-N 2 1 279.340 1.299 20 5 CDBDMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357096 698053814 /nfs/dbraw/zinc/05/38/14/698053814.db2.gz WBBLLIAAKNHJSL-KGLIPLIRSA-N 2 1 279.340 1.299 20 5 CDBDMP Cc1c(NC(=O)CC[N@@H+](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000592473604 342698662 /nfs/dbraw/zinc/69/86/62/342698662.db2.gz FSELLJRUFFLKNA-UHFFFAOYSA-N 2 1 294.355 1.512 20 5 CDBDMP COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168626721 361337388 /nfs/dbraw/zinc/33/73/88/361337388.db2.gz UPVSAEPPTGQZFF-CMPLNLGQSA-N 2 1 279.340 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168626721 361337394 /nfs/dbraw/zinc/33/73/94/361337394.db2.gz UPVSAEPPTGQZFF-CMPLNLGQSA-N 2 1 279.340 1.773 20 5 CDBDMP C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420403576 244206524 /nfs/dbraw/zinc/20/65/24/244206524.db2.gz LEDRXPWLFXSCKU-QWHCGFSZSA-N 2 1 293.367 1.890 20 5 CDBDMP C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420403576 244206528 /nfs/dbraw/zinc/20/65/28/244206528.db2.gz LEDRXPWLFXSCKU-QWHCGFSZSA-N 2 1 293.367 1.890 20 5 CDBDMP C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420403574 244206981 /nfs/dbraw/zinc/20/69/81/244206981.db2.gz LEDRXPWLFXSCKU-OLZOCXBDSA-N 2 1 293.367 1.890 20 5 CDBDMP C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420403574 244206985 /nfs/dbraw/zinc/20/69/85/244206985.db2.gz LEDRXPWLFXSCKU-OLZOCXBDSA-N 2 1 293.367 1.890 20 5 CDBDMP C[C@@H]1CC2(C[N@H+]1CCn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000424283309 374407078 /nfs/dbraw/zinc/40/70/78/374407078.db2.gz BHFXWCIWPASYBZ-GFCCVEGCSA-N 2 1 293.371 1.255 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000351491339 375302523 /nfs/dbraw/zinc/30/25/23/375302523.db2.gz JOLNWLKSDYVIPR-TUKIKUTGSA-N 2 1 291.351 1.643 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357090203 375883327 /nfs/dbraw/zinc/88/33/27/375883327.db2.gz ZWTACKXNDVMEPD-OLZOCXBDSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357090203 375883334 /nfs/dbraw/zinc/88/33/34/375883334.db2.gz ZWTACKXNDVMEPD-OLZOCXBDSA-N 2 1 291.351 1.515 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449243588 390821887 /nfs/dbraw/zinc/82/18/87/390821887.db2.gz LWHCOSQRDKBWLE-IUODEOHRSA-N 2 1 293.367 1.182 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449243588 390821889 /nfs/dbraw/zinc/82/18/89/390821889.db2.gz LWHCOSQRDKBWLE-IUODEOHRSA-N 2 1 293.367 1.182 20 5 CDBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886838138 710235736 /nfs/dbraw/zinc/23/57/36/710235736.db2.gz RPRMMNALGSOKIW-NSHDSACASA-N 2 1 264.329 1.551 20 5 CDBDMP [NH3+][C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001580132441 1167711552 /nfs/dbraw/zinc/71/15/52/1167711552.db2.gz PAYKFHGFNFDRQR-VIFPVBQESA-N 2 1 289.282 1.546 20 5 CDBDMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169028954 927634625 /nfs/dbraw/zinc/63/46/25/927634625.db2.gz SZENSIUXTFWQBQ-KGLIPLIRSA-N 2 1 269.389 1.850 20 5 CDBDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169050098 927669904 /nfs/dbraw/zinc/66/99/04/927669904.db2.gz YMHYLTWSUJONCT-AAVRWANBSA-N 2 1 267.373 1.315 20 5 CDBDMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254603639 947552973 /nfs/dbraw/zinc/55/29/73/947552973.db2.gz PFULQCIRBRNEEG-IJEWVQPXSA-N 2 1 287.363 1.555 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246458027 948184132 /nfs/dbraw/zinc/18/41/32/948184132.db2.gz QXYNKXCMDVEVTN-ZDUSSCGKSA-N 3 1 294.399 1.444 20 5 CDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246980828 948558941 /nfs/dbraw/zinc/55/89/41/948558941.db2.gz LQTXPVSWDZWRSE-WDEREUQCSA-N 2 1 251.330 1.805 20 5 CDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC001246980828 948558947 /nfs/dbraw/zinc/55/89/47/948558947.db2.gz LQTXPVSWDZWRSE-WDEREUQCSA-N 2 1 251.330 1.805 20 5 CDBDMP Cc1[nH+]cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1C ZINC000597128728 343452938 /nfs/dbraw/zinc/45/29/38/343452938.db2.gz YIHYHYVHHGVRKC-UHFFFAOYSA-N 2 1 289.339 1.602 20 5 CDBDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420354956 535041344 /nfs/dbraw/zinc/04/13/44/535041344.db2.gz DRROPLAFWWCILZ-CYBMUJFWSA-N 2 1 281.356 1.937 20 5 CDBDMP C[NH+]1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000038079435 346377544 /nfs/dbraw/zinc/37/75/44/346377544.db2.gz ILDHTJGEQVRCJQ-UHFFFAOYSA-N 2 1 279.340 1.657 20 5 CDBDMP C[N@H+](C[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566118377 357396947 /nfs/dbraw/zinc/39/69/47/357396947.db2.gz UZTPPNVCBMEJDE-AWEZNQCLSA-N 2 1 293.367 1.182 20 5 CDBDMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566118377 357396953 /nfs/dbraw/zinc/39/69/53/357396953.db2.gz UZTPPNVCBMEJDE-AWEZNQCLSA-N 2 1 293.367 1.182 20 5 CDBDMP [NH3+]C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814059 241398949 /nfs/dbraw/zinc/39/89/49/241398949.db2.gz YXJVWHGZDSOVGH-DXTPNHAXSA-N 2 1 261.325 1.935 20 5 CDBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000351856267 370225904 /nfs/dbraw/zinc/22/59/04/370225904.db2.gz VBSIDSXDUJUPAY-NWDGAFQWSA-N 2 1 279.340 1.643 20 5 CDBDMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389660 392961662 /nfs/dbraw/zinc/96/16/62/392961662.db2.gz VKQMCUSCLMANOD-FRRDWIJNSA-N 2 1 295.387 1.863 20 5 CDBDMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967098 1161996334 /nfs/dbraw/zinc/99/63/34/1161996334.db2.gz NGWYKRXTBSVAPA-RWMBFGLXSA-N 2 1 255.362 1.506 20 5 CDBDMP Cc1c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000702587217 712479790 /nfs/dbraw/zinc/47/97/90/712479790.db2.gz MEHFAEIOYPCWNG-CQSZACIVSA-N 2 1 279.340 1.059 20 5 CDBDMP Cc1c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000702587217 712479793 /nfs/dbraw/zinc/47/97/93/712479793.db2.gz MEHFAEIOYPCWNG-CQSZACIVSA-N 2 1 279.340 1.059 20 5 CDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[N@@H+](C)CCO ZINC001173227522 912320619 /nfs/dbraw/zinc/32/06/19/912320619.db2.gz GSCCPDJAURTZOR-ZDUSSCGKSA-N 2 1 295.383 1.430 20 5 CDBDMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296382 923720500 /nfs/dbraw/zinc/72/05/00/923720500.db2.gz GWAXZXKZOZZAEP-GJZGRUSLSA-N 2 1 295.383 1.933 20 5 CDBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296382 923720509 /nfs/dbraw/zinc/72/05/09/923720509.db2.gz GWAXZXKZOZZAEP-GJZGRUSLSA-N 2 1 295.383 1.933 20 5 CDBDMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039924 927653459 /nfs/dbraw/zinc/65/34/59/927653459.db2.gz VVMHGVXYAOJIML-SWLSCSKDSA-N 2 1 281.400 1.990 20 5 CDBDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959741 930646010 /nfs/dbraw/zinc/64/60/10/930646010.db2.gz IBRQXXBMRTWSMK-PRHODGIISA-N 2 1 264.329 1.565 20 5 CDBDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925517103 932897047 /nfs/dbraw/zinc/89/70/47/932897047.db2.gz YVVBQPJNJXEWRL-WCQYABFASA-N 2 1 263.341 1.867 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422719423 245174960 /nfs/dbraw/zinc/17/49/60/245174960.db2.gz RDDGMNLUCILLRW-GXFFZTMASA-N 2 1 279.340 1.820 20 5 CDBDMP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414920660 371097216 /nfs/dbraw/zinc/09/72/16/371097216.db2.gz YIUCSPWBXKDUMZ-LBPRGKRZSA-N 2 1 279.340 1.835 20 5 CDBDMP C[NH+](C)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372961491 374458898 /nfs/dbraw/zinc/45/88/98/374458898.db2.gz SGONQPNNZKZQQT-LBPRGKRZSA-N 2 1 281.360 1.207 20 5 CDBDMP C[NH+](C)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372961491 374458902 /nfs/dbraw/zinc/45/89/02/374458902.db2.gz SGONQPNNZKZQQT-LBPRGKRZSA-N 2 1 281.360 1.207 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357090205 375884313 /nfs/dbraw/zinc/88/43/13/375884313.db2.gz ZWTACKXNDVMEPD-STQMWFEESA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357090205 375884317 /nfs/dbraw/zinc/88/43/17/375884317.db2.gz ZWTACKXNDVMEPD-STQMWFEESA-N 2 1 291.351 1.515 20 5 CDBDMP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[NH+](C)C1 ZINC000174864975 379596158 /nfs/dbraw/zinc/59/61/58/379596158.db2.gz HKIHRNUYQSMHRF-GFCCVEGCSA-N 2 1 281.360 1.065 20 5 CDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[NH+](C)C1 ZINC000174864975 379596165 /nfs/dbraw/zinc/59/61/65/379596165.db2.gz HKIHRNUYQSMHRF-GFCCVEGCSA-N 2 1 281.360 1.065 20 5 CDBDMP C[NH+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000174864975 379596173 /nfs/dbraw/zinc/59/61/73/379596173.db2.gz HKIHRNUYQSMHRF-GFCCVEGCSA-N 2 1 281.360 1.065 20 5 CDBDMP C[NH+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000174864975 379596181 /nfs/dbraw/zinc/59/61/81/379596181.db2.gz HKIHRNUYQSMHRF-GFCCVEGCSA-N 2 1 281.360 1.065 20 5 CDBDMP C[NH+](C)/C=C/c1cc(NCC2C[NH+](C)C2)ncc1[N+](=O)[O-] ZINC001159219380 938713100 /nfs/dbraw/zinc/71/31/00/938713100.db2.gz HOLWKPWWMQLKNI-SNAWJCMRSA-N 2 1 291.355 1.496 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000602824558 344610884 /nfs/dbraw/zinc/61/08/84/344610884.db2.gz IPJHMRBDUNAXHE-UHFFFAOYSA-N 2 1 295.387 1.517 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000602824558 344610886 /nfs/dbraw/zinc/61/08/86/344610886.db2.gz IPJHMRBDUNAXHE-UHFFFAOYSA-N 2 1 295.387 1.517 20 5 CDBDMP C[C@@H](C[NH3+])C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414874109 370963557 /nfs/dbraw/zinc/96/35/57/370963557.db2.gz IBRHHTLAXGHMMN-QMMMGPOBSA-N 2 1 289.282 1.881 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428040577 247234780 /nfs/dbraw/zinc/23/47/80/247234780.db2.gz WRUOGAWMRXUPRG-IUODEOHRSA-N 2 1 291.351 1.657 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428040577 247234783 /nfs/dbraw/zinc/23/47/83/247234783.db2.gz WRUOGAWMRXUPRG-IUODEOHRSA-N 2 1 291.351 1.657 20 5 CDBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415043573 391249681 /nfs/dbraw/zinc/24/96/81/391249681.db2.gz RSDQLCVOADVTKD-JHAQOBCDSA-N 2 1 291.351 1.576 20 5 CDBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000430540586 393100861 /nfs/dbraw/zinc/10/08/61/393100861.db2.gz AETKWJTXUGDHLV-UHFFFAOYSA-N 2 1 281.356 1.890 20 5 CDBDMP C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000430932137 393105452 /nfs/dbraw/zinc/10/54/52/393105452.db2.gz FRAQRCZPVKOAFX-RISCZKNCSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000430932137 393105457 /nfs/dbraw/zinc/10/54/57/393105457.db2.gz FRAQRCZPVKOAFX-RISCZKNCSA-N 2 1 279.340 1.643 20 5 CDBDMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389661 276270498 /nfs/dbraw/zinc/27/04/98/276270498.db2.gz VKQMCUSCLMANOD-JHJVBQTASA-N 2 1 295.387 1.863 20 5 CDBDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431796 523837279 /nfs/dbraw/zinc/83/72/79/523837279.db2.gz VYSAMLCWYHBXJX-CQSZACIVSA-N 2 1 293.371 1.209 20 5 CDBDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431796 523837286 /nfs/dbraw/zinc/83/72/86/523837286.db2.gz VYSAMLCWYHBXJX-CQSZACIVSA-N 2 1 293.371 1.209 20 5 CDBDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431796 523837290 /nfs/dbraw/zinc/83/72/90/523837290.db2.gz VYSAMLCWYHBXJX-CQSZACIVSA-N 2 1 293.371 1.209 20 5 CDBDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431796 523837296 /nfs/dbraw/zinc/83/72/96/523837296.db2.gz VYSAMLCWYHBXJX-CQSZACIVSA-N 2 1 293.371 1.209 20 5 CDBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925514471 617421292 /nfs/dbraw/zinc/42/12/92/617421292.db2.gz ONOULVFHUTXLLZ-XNHWPECASA-N 2 1 287.363 1.723 20 5 CDBDMP NCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956638 927576749 /nfs/dbraw/zinc/57/67/49/927576749.db2.gz CBZLWWZQJURPFT-LSDHHAIUSA-N 2 1 277.368 1.893 20 5 CDBDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965845 927588852 /nfs/dbraw/zinc/58/88/52/927588852.db2.gz CPZVSKUYHNEFRV-MGPQQGTHSA-N 2 1 269.389 1.753 20 5 CDBDMP Cc1ncc2n1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169010241 927614658 /nfs/dbraw/zinc/61/46/58/927614658.db2.gz BRMAYLZVDWKPBD-VXGBXAGGSA-N 2 1 264.329 1.453 20 5 CDBDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169050103 927669603 /nfs/dbraw/zinc/66/96/03/927669603.db2.gz YMHYLTWSUJONCT-REWJHTLYSA-N 2 1 267.373 1.315 20 5 CDBDMP C[C@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001162676497 939112341 /nfs/dbraw/zinc/11/23/41/939112341.db2.gz QPGXCNFDKHTOOR-ZWNOBZJWSA-N 2 1 290.367 1.745 20 5 CDBDMP C[C@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001162676497 939112342 /nfs/dbraw/zinc/11/23/42/939112342.db2.gz QPGXCNFDKHTOOR-ZWNOBZJWSA-N 2 1 290.367 1.745 20 5 CDBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000124624196 351359410 /nfs/dbraw/zinc/35/94/10/351359410.db2.gz GZHVSWXGLBPOAC-WCQYABFASA-N 2 1 263.341 1.949 20 5 CDBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357086953 375884076 /nfs/dbraw/zinc/88/40/76/375884076.db2.gz RWTLJLHVNAVZIV-GFCCVEGCSA-N 2 1 293.371 1.150 20 5 CDBDMP C[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000035677756 172348798 /nfs/dbraw/zinc/34/87/98/172348798.db2.gz MBLWNALJEFWODX-UHFFFAOYSA-N 2 1 263.341 1.821 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420362083 424584837 /nfs/dbraw/zinc/58/48/37/424584837.db2.gz YWZRNKUXVNYNSC-JQWIXIFHSA-N 2 1 267.329 1.216 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420362083 424584842 /nfs/dbraw/zinc/58/48/42/424584842.db2.gz YWZRNKUXVNYNSC-JQWIXIFHSA-N 2 1 267.329 1.216 20 5 CDBDMP C[C@@H]1C[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000422633556 278006141 /nfs/dbraw/zinc/00/61/41/278006141.db2.gz ILWNRCCFAGBVMT-WOPDTQHZSA-N 2 1 281.360 1.097 20 5 CDBDMP C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000400457711 278348818 /nfs/dbraw/zinc/34/88/18/278348818.db2.gz SXIWMFSTNYSQPZ-RISCZKNCSA-N 2 1 263.341 1.867 20 5 CDBDMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817943186 678017321 /nfs/dbraw/zinc/01/73/21/678017321.db2.gz KRJAWIVSZZFPQN-SNVBAGLBSA-N 2 1 266.345 1.827 20 5 CDBDMP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059958 678350884 /nfs/dbraw/zinc/35/08/84/678350884.db2.gz JGFAEQPIMGZECP-SMDDNHRTSA-N 2 1 281.356 1.558 20 5 CDBDMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817964524 679080282 /nfs/dbraw/zinc/08/02/82/679080282.db2.gz BSWGVBDPLYJUIP-QMMMGPOBSA-N 2 1 250.302 1.047 20 5 CDBDMP C[N@H+](CCOCC[NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000699260888 913650372 /nfs/dbraw/zinc/65/03/72/913650372.db2.gz QEGFADDBARCYTF-UHFFFAOYSA-N 2 1 271.292 1.141 20 5 CDBDMP C[N@@H+](CCOCC[NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000699260888 913650384 /nfs/dbraw/zinc/65/03/84/913650384.db2.gz QEGFADDBARCYTF-UHFFFAOYSA-N 2 1 271.292 1.141 20 5 CDBDMP CC(C)[NH+]1CC(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001168314374 908985363 /nfs/dbraw/zinc/98/53/63/908985363.db2.gz MKQRUDWJKSYRKT-UHFFFAOYSA-N 2 1 276.340 1.703 20 5 CDBDMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169039600 927651237 /nfs/dbraw/zinc/65/12/37/927651237.db2.gz REXKONOTLLJSAL-ZIAGYGMSSA-N 2 1 281.400 1.850 20 5 CDBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000136307683 362968726 /nfs/dbraw/zinc/96/87/26/362968726.db2.gz KOWAYKVVWCWDLV-UHFFFAOYSA-N 2 1 292.343 1.318 20 5 CDBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000136307683 362968729 /nfs/dbraw/zinc/96/87/29/362968729.db2.gz KOWAYKVVWCWDLV-UHFFFAOYSA-N 2 1 292.343 1.318 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000051634449 358948908 /nfs/dbraw/zinc/94/89/08/358948908.db2.gz HLRXRAVEFXWQFO-UHFFFAOYSA-N 2 1 260.297 1.890 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332487 244099891 /nfs/dbraw/zinc/09/98/91/244099891.db2.gz RTCNQBOYAZDXMU-QWHCGFSZSA-N 2 1 293.371 1.113 20 5 CDBDMP C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422797120 245267796 /nfs/dbraw/zinc/26/77/96/245267796.db2.gz ZWIMJSWQZVDBMF-AAEUAGOBSA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154393145 374700309 /nfs/dbraw/zinc/70/03/09/374700309.db2.gz MPPDUWPLIJBVGR-GXTWGEPZSA-N 2 1 295.383 1.428 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001580874963 1172556586 /nfs/dbraw/zinc/55/65/86/1172556586.db2.gz QWEXSUIMAOALRG-KWCYVHTRSA-N 2 1 261.325 1.620 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359298067 158204920 /nfs/dbraw/zinc/20/49/20/158204920.db2.gz YXJFZCSEGSRREB-TXEJJXNPSA-N 2 1 277.324 1.125 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359298067 158204923 /nfs/dbraw/zinc/20/49/23/158204923.db2.gz YXJFZCSEGSRREB-TXEJJXNPSA-N 2 1 277.324 1.125 20 5 CDBDMP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000582965644 325080062 /nfs/dbraw/zinc/08/00/62/325080062.db2.gz UGARTLALVHCYDT-ZJUUUORDSA-N 2 1 297.355 1.827 20 5 CDBDMP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)CC1 ZINC000755780514 576960742 /nfs/dbraw/zinc/96/07/42/576960742.db2.gz NWLUOKPZZREOFZ-CYBMUJFWSA-N 2 1 293.371 1.413 20 5 CDBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)CC1 ZINC000755780514 576960744 /nfs/dbraw/zinc/96/07/44/576960744.db2.gz NWLUOKPZZREOFZ-CYBMUJFWSA-N 2 1 293.371 1.413 20 5 CDBDMP O=[N+]([O-])CCNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000905241334 626720828 /nfs/dbraw/zinc/72/08/28/626720828.db2.gz DFZYCBKGBYXOPC-CQSZACIVSA-N 2 1 263.341 1.375 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000905241334 626720832 /nfs/dbraw/zinc/72/08/32/626720832.db2.gz DFZYCBKGBYXOPC-CQSZACIVSA-N 2 1 263.341 1.375 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000905241334 626720836 /nfs/dbraw/zinc/72/08/36/626720836.db2.gz DFZYCBKGBYXOPC-CQSZACIVSA-N 2 1 263.341 1.375 20 5 CDBDMP C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923288122 679860945 /nfs/dbraw/zinc/86/09/45/679860945.db2.gz HPXVLVYJPCXHOE-HONMWMINSA-N 2 1 279.340 1.297 20 5 CDBDMP C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923288122 679860946 /nfs/dbraw/zinc/86/09/46/679860946.db2.gz HPXVLVYJPCXHOE-HONMWMINSA-N 2 1 279.340 1.297 20 5 CDBDMP C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCC([NH3+])CC1 ZINC001168975726 927598270 /nfs/dbraw/zinc/59/82/70/927598270.db2.gz XATMGWMMAUIBPF-IKWCTNDRSA-N 2 1 255.362 1.634 20 5 CDBDMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024820 927663455 /nfs/dbraw/zinc/66/34/55/927663455.db2.gz RAYVDGHUDXGOFW-ZQDZILKHSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024820 927663460 /nfs/dbraw/zinc/66/34/60/927663460.db2.gz RAYVDGHUDXGOFW-ZQDZILKHSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024820 927663466 /nfs/dbraw/zinc/66/34/66/927663466.db2.gz RAYVDGHUDXGOFW-ZQDZILKHSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024820 927663477 /nfs/dbraw/zinc/66/34/77/927663477.db2.gz RAYVDGHUDXGOFW-ZQDZILKHSA-N 2 1 297.399 1.084 20 5 CDBDMP CC[N@@H+](C)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049587 927666722 /nfs/dbraw/zinc/66/67/22/927666722.db2.gz WOIIXERJQPHXHI-JSGCOSHPSA-N 2 1 269.389 1.848 20 5 CDBDMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H]1C[NH3+] ZINC001246554604 948263788 /nfs/dbraw/zinc/26/37/88/948263788.db2.gz BTDHEYRQFRMUGT-XJFOESAGSA-N 2 1 269.389 1.739 20 5 CDBDMP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000603430549 344802950 /nfs/dbraw/zinc/80/29/50/344802950.db2.gz AFDOKMRKSROPFH-CHWSQXEVSA-N 2 1 279.340 1.819 20 5 CDBDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995983 360295946 /nfs/dbraw/zinc/29/59/46/360295946.db2.gz JWIWRPJQSGFBKI-CHWSQXEVSA-N 2 1 293.371 1.207 20 5 CDBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995983 360295947 /nfs/dbraw/zinc/29/59/47/360295947.db2.gz JWIWRPJQSGFBKI-CHWSQXEVSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995983 360295948 /nfs/dbraw/zinc/29/59/48/360295948.db2.gz JWIWRPJQSGFBKI-CHWSQXEVSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995983 360295949 /nfs/dbraw/zinc/29/59/49/360295949.db2.gz JWIWRPJQSGFBKI-CHWSQXEVSA-N 2 1 293.371 1.207 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332490 244099483 /nfs/dbraw/zinc/09/94/83/244099483.db2.gz RTCNQBOYAZDXMU-STQMWFEESA-N 2 1 293.371 1.113 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420335558 244104626 /nfs/dbraw/zinc/10/46/26/244104626.db2.gz VFRDHBNKHQYDMT-STQMWFEESA-N 2 1 293.371 1.113 20 5 CDBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000130930665 374238965 /nfs/dbraw/zinc/23/89/65/374238965.db2.gz POURDZWHLCKPNY-UHFFFAOYSA-N 2 1 292.343 1.318 20 5 CDBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000130930665 374238977 /nfs/dbraw/zinc/23/89/77/374238977.db2.gz POURDZWHLCKPNY-UHFFFAOYSA-N 2 1 292.343 1.318 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261602088 140360976 /nfs/dbraw/zinc/36/09/76/140360976.db2.gz QHSMHPXMUBWXED-IACUBPJLSA-N 2 1 261.325 1.764 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261602088 140360977 /nfs/dbraw/zinc/36/09/77/140360977.db2.gz QHSMHPXMUBWXED-IACUBPJLSA-N 2 1 261.325 1.764 20 5 CDBDMP [NH3+]CC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000397101235 270346356 /nfs/dbraw/zinc/34/63/56/270346356.db2.gz MVSWUWJVIJUYKP-UHFFFAOYSA-N 2 1 299.758 1.534 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423507191 274231399 /nfs/dbraw/zinc/23/13/99/274231399.db2.gz HTFBPFRNYOUJMQ-JSGCOSHPSA-N 2 1 292.383 1.019 20 5 CDBDMP C[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357095 685751200 /nfs/dbraw/zinc/75/12/00/685751200.db2.gz WBBLLIAAKNHJSL-KBPBESRZSA-N 2 1 279.340 1.299 20 5 CDBDMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357095 685751211 /nfs/dbraw/zinc/75/12/11/685751211.db2.gz WBBLLIAAKNHJSL-KBPBESRZSA-N 2 1 279.340 1.299 20 5 CDBDMP C[C@H](CC[NH3+])[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278221 342624142 /nfs/dbraw/zinc/62/41/42/342624142.db2.gz YXXRWCRNQOECKG-SECBINFHSA-N 2 1 281.312 1.193 20 5 CDBDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592438935 342693024 /nfs/dbraw/zinc/69/30/24/342693024.db2.gz WGGFWWKBEVAOQN-UWVGGRQHSA-N 2 1 295.339 1.581 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC[NH3+] ZINC000592473763 342698599 /nfs/dbraw/zinc/69/85/99/342698599.db2.gz MRBVNGSIBGBCQM-UHFFFAOYSA-N 2 1 294.355 1.512 20 5 CDBDMP C[N@@H+](CCOCC[NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000592477487 342699143 /nfs/dbraw/zinc/69/91/43/342699143.db2.gz YAYYMAWSSNCRIA-UHFFFAOYSA-N 2 1 253.302 1.002 20 5 CDBDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271773351 191317307 /nfs/dbraw/zinc/31/73/07/191317307.db2.gz CAIGFYDOLGJWIX-UHFFFAOYSA-N 2 1 261.325 1.946 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357043539 391937380 /nfs/dbraw/zinc/93/73/80/391937380.db2.gz GMHZJUMUNDLYBG-TZMCWYRMSA-N 2 1 275.352 1.945 20 5 CDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357043539 391937385 /nfs/dbraw/zinc/93/73/85/391937385.db2.gz GMHZJUMUNDLYBG-TZMCWYRMSA-N 2 1 275.352 1.945 20 5 CDBDMP [NH3+]CCOCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420370714 392917946 /nfs/dbraw/zinc/91/79/46/392917946.db2.gz YYKPIQBKSQQSGX-UHFFFAOYSA-N 2 1 279.340 1.535 20 5 CDBDMP [NH3+]CCOCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420370714 392917949 /nfs/dbraw/zinc/91/79/49/392917949.db2.gz YYKPIQBKSQQSGX-UHFFFAOYSA-N 2 1 279.340 1.535 20 5 CDBDMP CCOc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000423307399 392960056 /nfs/dbraw/zinc/96/00/56/392960056.db2.gz VXMHUKHGUGGLGE-JTQLQIEISA-N 2 1 279.340 1.864 20 5 CDBDMP Cc1c(C[NH2+]CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000035648776 172325117 /nfs/dbraw/zinc/32/51/17/172325117.db2.gz ZNODPBLISGFCFE-UHFFFAOYSA-N 2 1 251.330 1.945 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583094948 325106887 /nfs/dbraw/zinc/10/68/87/325106887.db2.gz RZDUSUKHYWDNIW-VXGBXAGGSA-N 2 1 279.340 1.963 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422722664 536955854 /nfs/dbraw/zinc/95/58/54/536955854.db2.gz YKSPKDMEDKZGMG-UWVGGRQHSA-N 2 1 267.329 1.819 20 5 CDBDMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261775660 538363073 /nfs/dbraw/zinc/36/30/73/538363073.db2.gz WLNLNCRCTDDACX-YNEHKIRRSA-N 2 1 291.351 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261775660 538363078 /nfs/dbraw/zinc/36/30/78/538363078.db2.gz WLNLNCRCTDDACX-YNEHKIRRSA-N 2 1 291.351 1.773 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392164 688412839 /nfs/dbraw/zinc/41/28/39/688412839.db2.gz HKAHQXOUFRIKON-MPKXVKKWSA-N 2 1 279.340 1.440 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392164 688412845 /nfs/dbraw/zinc/41/28/45/688412845.db2.gz HKAHQXOUFRIKON-MPKXVKKWSA-N 2 1 279.340 1.440 20 5 CDBDMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296386 693371172 /nfs/dbraw/zinc/37/11/72/693371172.db2.gz GWAXZXKZOZZAEP-LSDHHAIUSA-N 2 1 295.383 1.933 20 5 CDBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296386 693371177 /nfs/dbraw/zinc/37/11/77/693371177.db2.gz GWAXZXKZOZZAEP-LSDHHAIUSA-N 2 1 295.383 1.933 20 5 CDBDMP C[N+](C)(C)CCOC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224772194 941789857 /nfs/dbraw/zinc/78/98/57/941789857.db2.gz WQWUMPJSHPFUMB-QGZVFWFLSA-N 2 1 293.431 1.610 20 5 CDBDMP C[N+](C)(C)CCOC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224772194 941789861 /nfs/dbraw/zinc/78/98/61/941789861.db2.gz WQWUMPJSHPFUMB-QGZVFWFLSA-N 2 1 293.431 1.610 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000601328596 342554466 /nfs/dbraw/zinc/55/44/66/342554466.db2.gz UCIIRAZSBVJYGN-HIFRSBDPSA-N 2 1 275.352 1.869 20 5 CDBDMP C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CCC[NH3+] ZINC000595904841 343188485 /nfs/dbraw/zinc/18/84/85/343188485.db2.gz MMTKLEPIEWKDFV-TZMCWYRMSA-N 2 1 295.387 1.631 20 5 CDBDMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654660 343372388 /nfs/dbraw/zinc/37/23/88/343372388.db2.gz LHSUXDJNTNNSMF-SDDRHHMPSA-N 2 1 281.360 1.473 20 5 CDBDMP C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CCO)CC1 ZINC000353355669 375598559 /nfs/dbraw/zinc/59/85/59/375598559.db2.gz QUXMHBMGBSOUNS-UHFFFAOYSA-N 2 1 293.367 1.483 20 5 CDBDMP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000583636118 325213344 /nfs/dbraw/zinc/21/33/44/325213344.db2.gz JOZREXLJZVIWQC-FZMZJTMJSA-N 2 1 281.356 1.524 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285189 695772392 /nfs/dbraw/zinc/77/23/92/695772392.db2.gz AJJDYFHMDQDKDY-BXUZGUMPSA-N 2 1 279.340 1.170 20 5 CDBDMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285189 695772394 /nfs/dbraw/zinc/77/23/94/695772394.db2.gz AJJDYFHMDQDKDY-BXUZGUMPSA-N 2 1 279.340 1.170 20 5 CDBDMP C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000886839464 696115326 /nfs/dbraw/zinc/11/53/26/696115326.db2.gz FLXRKJLJHKZTNV-DGCLKSJQSA-N 2 1 278.356 1.939 20 5 CDBDMP C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000886839464 696115341 /nfs/dbraw/zinc/11/53/41/696115341.db2.gz FLXRKJLJHKZTNV-DGCLKSJQSA-N 2 1 278.356 1.939 20 5 CDBDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000866707030 724427947 /nfs/dbraw/zinc/42/79/47/724427947.db2.gz LFJOSKRKGNJUIR-CQSZACIVSA-N 2 1 295.387 1.488 20 5 CDBDMP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923279573 723756116 /nfs/dbraw/zinc/75/61/16/723756116.db2.gz QEEMRQDZMZAVMK-CQSZACIVSA-N 2 1 279.340 1.312 20 5 CDBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923279573 723756117 /nfs/dbraw/zinc/75/61/17/723756117.db2.gz QEEMRQDZMZAVMK-CQSZACIVSA-N 2 1 279.340 1.312 20 5 CDBDMP C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000923375958 725179514 /nfs/dbraw/zinc/17/95/14/725179514.db2.gz SLQGPDWAIGTXJF-OSAQELSMSA-N 2 1 293.367 1.545 20 5 CDBDMP C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000923375958 725179517 /nfs/dbraw/zinc/17/95/17/725179517.db2.gz SLQGPDWAIGTXJF-OSAQELSMSA-N 2 1 293.367 1.545 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000723678410 725670955 /nfs/dbraw/zinc/67/09/55/725670955.db2.gz OPSJEITXAIXSMY-SNVBAGLBSA-N 2 1 267.304 1.905 20 5 CDBDMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899200 912039747 /nfs/dbraw/zinc/03/97/47/912039747.db2.gz MDFGHOARLAVYQG-KGLIPLIRSA-N 2 1 275.352 1.875 20 5 CDBDMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899200 912039767 /nfs/dbraw/zinc/03/97/67/912039767.db2.gz MDFGHOARLAVYQG-KGLIPLIRSA-N 2 1 275.352 1.875 20 5 CDBDMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038681 927649300 /nfs/dbraw/zinc/64/93/00/927649300.db2.gz KEDNAJTYQJDPRV-IHRRRGAJSA-N 2 1 267.373 1.459 20 5 CDBDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038681 927649305 /nfs/dbraw/zinc/64/93/05/927649305.db2.gz KEDNAJTYQJDPRV-IHRRRGAJSA-N 2 1 267.373 1.459 20 5 CDBDMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038681 927649308 /nfs/dbraw/zinc/64/93/08/927649308.db2.gz KEDNAJTYQJDPRV-IHRRRGAJSA-N 2 1 267.373 1.459 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001169019024 927660447 /nfs/dbraw/zinc/66/04/47/927660447.db2.gz GEGJZZQUFIUJCB-LSDHHAIUSA-N 2 1 293.411 1.850 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001169019024 927660454 /nfs/dbraw/zinc/66/04/54/927660454.db2.gz GEGJZZQUFIUJCB-LSDHHAIUSA-N 2 1 293.411 1.850 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001254605504 947552451 /nfs/dbraw/zinc/55/24/51/947552451.db2.gz ANBVDEYWKRCQNR-OAHLLOKOSA-N 2 1 298.346 1.817 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001254605504 947552456 /nfs/dbraw/zinc/55/24/56/947552456.db2.gz ANBVDEYWKRCQNR-OAHLLOKOSA-N 2 1 298.346 1.817 20 5 CDBDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246130809 947975910 /nfs/dbraw/zinc/97/59/10/947975910.db2.gz VVQFIRUSHNOWQL-AAEUAGOBSA-N 2 1 293.367 1.876 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246613382 948346704 /nfs/dbraw/zinc/34/67/04/948346704.db2.gz YUPLQXTWMPYNLY-MGPQQGTHSA-N 2 1 267.373 1.650 20 5 CDBDMP CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577672193 1171717333 /nfs/dbraw/zinc/71/73/33/1171717333.db2.gz UWJBAWKDNAYVIT-OAHLLOKOSA-N 2 1 293.367 1.702 20 5 CDBDMP CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577672193 1171717338 /nfs/dbraw/zinc/71/73/38/1171717338.db2.gz UWJBAWKDNAYVIT-OAHLLOKOSA-N 2 1 293.367 1.702 20 5 CDBDMP CC[NH2+][C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001577887076 1171758170 /nfs/dbraw/zinc/75/81/70/1171758170.db2.gz HGNUUBGJGQIOLD-LLVKDONJSA-N 2 1 251.330 1.725 20 5 CDBDMP Cc1noc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000595344352 343043763 /nfs/dbraw/zinc/04/37/63/343043763.db2.gz CKASDRBKUICNJG-VXGBXAGGSA-N 2 1 294.355 1.807 20 5 CDBDMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423445110 374381163 /nfs/dbraw/zinc/38/11/63/374381163.db2.gz XKVPKAODGHLTQX-RFQIPJPRSA-N 2 1 261.325 1.853 20 5 CDBDMP C[NH2+]C[C@](C)(O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000582791219 325045098 /nfs/dbraw/zinc/04/50/98/325045098.db2.gz RHXQKZJAGKMFNA-AWEZNQCLSA-N 2 1 281.356 1.040 20 5 CDBDMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000582791219 325045100 /nfs/dbraw/zinc/04/51/00/325045100.db2.gz RHXQKZJAGKMFNA-AWEZNQCLSA-N 2 1 281.356 1.040 20 5 CDBDMP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000923293762 923715843 /nfs/dbraw/zinc/71/58/43/923715843.db2.gz AXUJEHWWJRFHCV-CYBMUJFWSA-N 2 1 281.356 1.545 20 5 CDBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000923293762 923715856 /nfs/dbraw/zinc/71/58/56/923715856.db2.gz AXUJEHWWJRFHCV-CYBMUJFWSA-N 2 1 281.356 1.545 20 5 CDBDMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923348826 923761105 /nfs/dbraw/zinc/76/11/05/923761105.db2.gz LLCUEYGSHYVTLF-IUODEOHRSA-N 2 1 293.367 1.689 20 5 CDBDMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007615 927611889 /nfs/dbraw/zinc/61/18/89/927611889.db2.gz OQTGUCKAELVGOV-GHMZBOCLSA-N 2 1 252.318 1.392 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001169036396 927645349 /nfs/dbraw/zinc/64/53/49/927645349.db2.gz FTJXFVDXQVMEBI-WCQYABFASA-N 2 1 278.356 1.968 20 5 CDBDMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572068 947530487 /nfs/dbraw/zinc/53/04/87/947530487.db2.gz HVLUIBPWJQJZNV-BXUZGUMPSA-N 2 1 275.352 1.603 20 5 CDBDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601080 947550835 /nfs/dbraw/zinc/55/08/35/947550835.db2.gz YPIPJHFHVRMTLN-DJSGYFEHSA-N 2 1 289.379 1.992 20 5 CDBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601080 947550842 /nfs/dbraw/zinc/55/08/42/947550842.db2.gz YPIPJHFHVRMTLN-DJSGYFEHSA-N 2 1 289.379 1.992 20 5 CDBDMP C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001337776690 961418223 /nfs/dbraw/zinc/41/82/23/961418223.db2.gz CXBBBMYJWAEYST-HIFRSBDPSA-N 2 1 277.368 1.763 20 5 CDBDMP C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001337776690 961418233 /nfs/dbraw/zinc/41/82/33/961418233.db2.gz CXBBBMYJWAEYST-HIFRSBDPSA-N 2 1 277.368 1.763 20 5 CDBDMP C[C@@H](CC[NH3+])[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278222 342624118 /nfs/dbraw/zinc/62/41/18/342624118.db2.gz YXXRWCRNQOECKG-VIFPVBQESA-N 2 1 281.312 1.193 20 5 CDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000592984100 342751376 /nfs/dbraw/zinc/75/13/76/342751376.db2.gz HSDBRALCCPNIEZ-NWDGAFQWSA-N 2 1 291.355 1.086 20 5 CDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000592984100 342751377 /nfs/dbraw/zinc/75/13/77/342751377.db2.gz HSDBRALCCPNIEZ-NWDGAFQWSA-N 2 1 291.355 1.086 20 5 CDBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000163251670 356119941 /nfs/dbraw/zinc/11/99/41/356119941.db2.gz RMPQDPDNFNSZKH-YPMHNXCESA-N 2 1 263.341 1.806 20 5 CDBDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937275 359681606 /nfs/dbraw/zinc/68/16/06/359681606.db2.gz QPMOIJUNJLCNIU-NWDGAFQWSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937275 359681611 /nfs/dbraw/zinc/68/16/11/359681611.db2.gz QPMOIJUNJLCNIU-NWDGAFQWSA-N 2 1 279.340 1.785 20 5 CDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000423204990 285168369 /nfs/dbraw/zinc/16/83/69/285168369.db2.gz BGAWBDCGGXPTHZ-GRYCIOLGSA-N 2 1 279.344 1.227 20 5 CDBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000252728172 392680605 /nfs/dbraw/zinc/68/06/05/392680605.db2.gz AEIMTPRJZZFPLZ-SWLSCSKDSA-N 2 1 293.367 1.903 20 5 CDBDMP C[NH2+]CCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000420384964 392917801 /nfs/dbraw/zinc/91/78/01/392917801.db2.gz FYZQOCXTNBLAHY-UHFFFAOYSA-N 2 1 267.329 1.515 20 5 CDBDMP C[NH2+]CCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000420384964 392917805 /nfs/dbraw/zinc/91/78/05/392917805.db2.gz FYZQOCXTNBLAHY-UHFFFAOYSA-N 2 1 267.329 1.515 20 5 CDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CC1 ZINC000423286174 392960285 /nfs/dbraw/zinc/96/02/85/392960285.db2.gz ZTSJUMKNSHMAGU-GXFFZTMASA-N 2 1 263.341 1.853 20 5 CDBDMP CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000431063609 393106321 /nfs/dbraw/zinc/10/63/21/393106321.db2.gz AHDPJUPFOIMJBA-UHFFFAOYSA-N 2 1 281.360 1.255 20 5 CDBDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778439 393224819 /nfs/dbraw/zinc/22/48/19/393224819.db2.gz LPBWQMUPQLGEJD-ZDUSSCGKSA-N 2 1 295.387 1.373 20 5 CDBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778439 393224825 /nfs/dbraw/zinc/22/48/25/393224825.db2.gz LPBWQMUPQLGEJD-ZDUSSCGKSA-N 2 1 295.387 1.373 20 5 CDBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778439 393224830 /nfs/dbraw/zinc/22/48/30/393224830.db2.gz LPBWQMUPQLGEJD-ZDUSSCGKSA-N 2 1 295.387 1.373 20 5 CDBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778439 393224833 /nfs/dbraw/zinc/22/48/33/393224833.db2.gz LPBWQMUPQLGEJD-ZDUSSCGKSA-N 2 1 295.387 1.373 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392166 729975875 /nfs/dbraw/zinc/97/58/75/729975875.db2.gz HKAHQXOUFRIKON-QKCSRTOESA-N 2 1 279.340 1.440 20 5 CDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392166 729975876 /nfs/dbraw/zinc/97/58/76/729975876.db2.gz HKAHQXOUFRIKON-QKCSRTOESA-N 2 1 279.340 1.440 20 5 CDBDMP C[N@@H+]1CCc2c(-n3cnc(C[NH3+])c3)ccc([N+](=O)[O-])c2C1 ZINC001162304234 938976689 /nfs/dbraw/zinc/97/66/89/938976689.db2.gz CFCNCHMRQMRXPG-UHFFFAOYSA-N 2 1 287.323 1.227 20 5 CDBDMP C[N@H+]1CCc2c(-n3cnc(C[NH3+])c3)ccc([N+](=O)[O-])c2C1 ZINC001162304234 938976690 /nfs/dbraw/zinc/97/66/90/938976690.db2.gz CFCNCHMRQMRXPG-UHFFFAOYSA-N 2 1 287.323 1.227 20 5 CDBDMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246359733 948131184 /nfs/dbraw/zinc/13/11/84/948131184.db2.gz VVQFIRUSHNOWQL-DGCLKSJQSA-N 2 1 293.367 1.876 20 5 CDBDMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001246548897 948255576 /nfs/dbraw/zinc/25/55/76/948255576.db2.gz KSGIIRTVIHOOEA-AGIUHOORSA-N 2 1 273.352 1.585 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246930252 948523755 /nfs/dbraw/zinc/52/37/55/948523755.db2.gz IJMIEQDFVXUHPS-YIYPIFLZSA-N 2 1 267.373 1.363 20 5 CDBDMP CC(C)[N@H+](C)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001353272440 967843486 /nfs/dbraw/zinc/84/34/86/967843486.db2.gz IKQDIKAMGRUMOE-HNNXBMFYSA-N 2 1 295.383 1.948 20 5 CDBDMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001353272440 967843501 /nfs/dbraw/zinc/84/35/01/967843501.db2.gz IKQDIKAMGRUMOE-HNNXBMFYSA-N 2 1 295.383 1.948 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000600742282 342246955 /nfs/dbraw/zinc/24/69/55/342246955.db2.gz SYIQKZQHQBSCPM-LBPRGKRZSA-N 2 1 281.356 1.871 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360542634 357435770 /nfs/dbraw/zinc/43/57/70/357435770.db2.gz DBNRNFWGQSVKEO-OAHLLOKOSA-N 2 1 291.351 1.659 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360542634 357435773 /nfs/dbraw/zinc/43/57/73/357435773.db2.gz DBNRNFWGQSVKEO-OAHLLOKOSA-N 2 1 291.351 1.659 20 5 CDBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000351856271 370225259 /nfs/dbraw/zinc/22/52/59/370225259.db2.gz VBSIDSXDUJUPAY-VXGBXAGGSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+](C)C ZINC000154393060 374699593 /nfs/dbraw/zinc/69/95/93/374699593.db2.gz MPPDUWPLIJBVGR-OCCSQVGLSA-N 2 1 295.383 1.428 20 5 CDBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CC1 ZINC000423205321 285161914 /nfs/dbraw/zinc/16/19/14/285161914.db2.gz PCWROVYDNIAUID-KGLIPLIRSA-N 2 1 275.352 1.867 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000176259804 148031998 /nfs/dbraw/zinc/03/19/98/148031998.db2.gz XCIACNUUBDESKG-ZDUSSCGKSA-N 2 1 293.371 1.209 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000176259804 148032001 /nfs/dbraw/zinc/03/20/01/148032001.db2.gz XCIACNUUBDESKG-ZDUSSCGKSA-N 2 1 293.371 1.209 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359273685 158192641 /nfs/dbraw/zinc/19/26/41/158192641.db2.gz JEJHAJDBFQQBSJ-RYUDHWBXSA-N 2 1 277.324 1.125 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000569017838 294143787 /nfs/dbraw/zinc/14/37/87/294143787.db2.gz RZBMAWAXNYAFGF-NEPJUHHUSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000569017838 294143790 /nfs/dbraw/zinc/14/37/90/294143790.db2.gz RZBMAWAXNYAFGF-NEPJUHHUSA-N 2 1 279.340 1.785 20 5 CDBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000923294919 731575843 /nfs/dbraw/zinc/57/58/43/731575843.db2.gz QKCGMHMDSAJIHA-PIMMBPRGSA-N 2 1 293.367 1.830 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001168977413 927562975 /nfs/dbraw/zinc/56/29/75/927562975.db2.gz JKGZHJGTSVCNRP-YPMHNXCESA-N 2 1 267.373 1.648 20 5 CDBDMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001118122176 937593892 /nfs/dbraw/zinc/59/38/92/937593892.db2.gz QNALOOSHLXFLOE-VHSXEESVSA-N 2 1 266.345 1.826 20 5 CDBDMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246553350 948259370 /nfs/dbraw/zinc/25/93/70/948259370.db2.gz AYVJIPPKKRGYTI-AXFHLTTASA-N 2 1 277.315 1.348 20 5 CDBDMP CC[NH2+]CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001577846145 1171753378 /nfs/dbraw/zinc/75/33/78/1171753378.db2.gz XQTCWOVBEFDFPB-UHFFFAOYSA-N 2 1 267.329 1.693 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420335557 244104017 /nfs/dbraw/zinc/10/40/17/244104017.db2.gz VFRDHBNKHQYDMT-QWHCGFSZSA-N 2 1 293.371 1.113 20 5 CDBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000351861973 370426518 /nfs/dbraw/zinc/42/65/18/370426518.db2.gz MRJQEXLEAVDGTE-RYUDHWBXSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000422638198 374354889 /nfs/dbraw/zinc/35/48/89/374354889.db2.gz PXKZKJSIPKPLPM-WOPDTQHZSA-N 2 1 281.360 1.097 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261672356 140373326 /nfs/dbraw/zinc/37/33/26/140373326.db2.gz GBISHFORPGRNQS-ZFWWWQNUSA-N 2 1 275.352 1.821 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261672356 140373328 /nfs/dbraw/zinc/37/33/28/140373328.db2.gz GBISHFORPGRNQS-ZFWWWQNUSA-N 2 1 275.352 1.821 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423469000 275038407 /nfs/dbraw/zinc/03/84/07/275038407.db2.gz ZTKMLPODCZKSNN-BARDWOONSA-N 2 1 273.336 1.780 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420362078 281020426 /nfs/dbraw/zinc/02/04/26/281020426.db2.gz YWZRNKUXVNYNSC-CMPLNLGQSA-N 2 1 267.329 1.216 20 5 CDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420362078 281020427 /nfs/dbraw/zinc/02/04/27/281020427.db2.gz YWZRNKUXVNYNSC-CMPLNLGQSA-N 2 1 267.329 1.216 20 5 CDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000841045009 618678694 /nfs/dbraw/zinc/67/86/94/618678694.db2.gz KDPVLPVGLGDZKF-ZDUSSCGKSA-N 2 1 290.367 1.515 20 5 CDBDMP C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903498492 626008894 /nfs/dbraw/zinc/00/88/94/626008894.db2.gz IAUCJAZUELGGIU-GHMZBOCLSA-N 2 1 264.329 1.407 20 5 CDBDMP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841049215 734997250 /nfs/dbraw/zinc/99/72/50/734997250.db2.gz OEQTZSXOBCIKFO-QMMMGPOBSA-N 2 1 257.721 1.933 20 5 CDBDMP C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000923375960 735896932 /nfs/dbraw/zinc/89/69/32/735896932.db2.gz SLQGPDWAIGTXJF-ZLDLUXBVSA-N 2 1 293.367 1.545 20 5 CDBDMP C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000923375960 735896935 /nfs/dbraw/zinc/89/69/35/735896935.db2.gz SLQGPDWAIGTXJF-ZLDLUXBVSA-N 2 1 293.367 1.545 20 5 CDBDMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@H]1C[NH3+] ZINC001246569617 931828934 /nfs/dbraw/zinc/82/89/34/931828934.db2.gz RCIBFGJJKCSEEY-YIYPIFLZSA-N 2 1 269.389 1.739 20 5 CDBDMP C[N@@H+]1CCc2c(-n3nccc3C[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001162597421 939099392 /nfs/dbraw/zinc/09/93/92/939099392.db2.gz OTOVTXTVYFQBCM-UHFFFAOYSA-N 2 1 287.323 1.227 20 5 CDBDMP C[N@H+]1CCc2c(-n3nccc3C[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001162597421 939099395 /nfs/dbraw/zinc/09/93/95/939099395.db2.gz OTOVTXTVYFQBCM-UHFFFAOYSA-N 2 1 287.323 1.227 20 5 CDBDMP C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1CC[NH3+] ZINC000593730806 342830256 /nfs/dbraw/zinc/83/02/56/342830256.db2.gz HHQJASITFUEGBU-NEPJUHHUSA-N 2 1 281.360 1.241 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+](C)C ZINC000453098626 252269302 /nfs/dbraw/zinc/26/93/02/252269302.db2.gz JQSQEHCICIHLGB-DGCLKSJQSA-N 2 1 281.356 1.038 20 5 CDBDMP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)CC1 ZINC000755780516 576960779 /nfs/dbraw/zinc/96/07/79/576960779.db2.gz NWLUOKPZZREOFZ-ZDUSSCGKSA-N 2 1 293.371 1.413 20 5 CDBDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)CC1 ZINC000755780516 576960781 /nfs/dbraw/zinc/96/07/81/576960781.db2.gz NWLUOKPZZREOFZ-ZDUSSCGKSA-N 2 1 293.371 1.413 20 5 CDBDMP [NH3+]C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000902418713 624783675 /nfs/dbraw/zinc/78/36/75/624783675.db2.gz YQBLKKNXULLSLF-UHFFFAOYSA-N 2 1 290.367 1.645 20 5 CDBDMP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520864 738069253 /nfs/dbraw/zinc/06/92/53/738069253.db2.gz QCMIJHMLXICBPX-WCQYABFASA-N 2 1 261.325 1.636 20 5 CDBDMP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520864 738069258 /nfs/dbraw/zinc/06/92/58/738069258.db2.gz QCMIJHMLXICBPX-WCQYABFASA-N 2 1 261.325 1.636 20 5 CDBDMP C[N@H+]1CC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931426308 738849223 /nfs/dbraw/zinc/84/92/23/738849223.db2.gz MFTPTQMBEXCYMM-OCCSQVGLSA-N 2 1 275.352 1.978 20 5 CDBDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931426308 738849224 /nfs/dbraw/zinc/84/92/24/738849224.db2.gz MFTPTQMBEXCYMM-OCCSQVGLSA-N 2 1 275.352 1.978 20 5 CDBDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931426308 738849225 /nfs/dbraw/zinc/84/92/25/738849225.db2.gz MFTPTQMBEXCYMM-OCCSQVGLSA-N 2 1 275.352 1.978 20 5 CDBDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931426308 738849227 /nfs/dbraw/zinc/84/92/27/738849227.db2.gz MFTPTQMBEXCYMM-OCCSQVGLSA-N 2 1 275.352 1.978 20 5 CDBDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931426308 738849230 /nfs/dbraw/zinc/84/92/30/738849230.db2.gz MFTPTQMBEXCYMM-OCCSQVGLSA-N 2 1 275.352 1.978 20 5 CDBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000886840111 737457708 /nfs/dbraw/zinc/45/77/08/737457708.db2.gz TUFAYZLQDNXCHB-QWHCGFSZSA-N 2 1 290.367 1.811 20 5 CDBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168966186 927589244 /nfs/dbraw/zinc/58/92/44/927589244.db2.gz GXUFKIIWYPIUSX-YNEHKIRRSA-N 2 1 255.362 1.363 20 5 CDBDMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169028956 927636218 /nfs/dbraw/zinc/63/62/18/927636218.db2.gz SZENSIUXTFWQBQ-UONOGXRCSA-N 2 1 269.389 1.850 20 5 CDBDMP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034526 927640220 /nfs/dbraw/zinc/64/02/20/927640220.db2.gz HILGDYDOGMJRQV-JSGCOSHPSA-N 2 1 269.389 1.848 20 5 CDBDMP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034526 927640222 /nfs/dbraw/zinc/64/02/22/927640222.db2.gz HILGDYDOGMJRQV-JSGCOSHPSA-N 2 1 269.389 1.848 20 5 CDBDMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246447283 948179001 /nfs/dbraw/zinc/17/90/01/948179001.db2.gz VLEZAJJCMAXUQB-YGRLFVJLSA-N 2 1 291.351 1.486 20 5 CDBDMP C[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423336918 374378056 /nfs/dbraw/zinc/37/80/56/374378056.db2.gz UPIJGKQEYAGNMB-ZWNOBZJWSA-N 2 1 263.341 1.853 20 5 CDBDMP [NH3+]C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347178350 374413308 /nfs/dbraw/zinc/41/33/08/374413308.db2.gz SOGOXUSEDZJHDF-OGOUPESXSA-N 2 1 261.325 1.889 20 5 CDBDMP [NH3+]C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347178350 374413317 /nfs/dbraw/zinc/41/33/17/374413317.db2.gz SOGOXUSEDZJHDF-OGOUPESXSA-N 2 1 261.325 1.889 20 5 CDBDMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430637888 393102184 /nfs/dbraw/zinc/10/21/84/393102184.db2.gz DJCMPINXJCWAHX-CYBMUJFWSA-N 2 1 293.367 1.905 20 5 CDBDMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430637888 393102189 /nfs/dbraw/zinc/10/21/89/393102189.db2.gz DJCMPINXJCWAHX-CYBMUJFWSA-N 2 1 293.367 1.905 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000261610166 140363740 /nfs/dbraw/zinc/36/37/40/140363740.db2.gz SGRGDDIXGRCMTQ-RAIGVLPGSA-N 2 1 261.325 1.764 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000261660832 140370859 /nfs/dbraw/zinc/37/08/59/140370859.db2.gz ZEBYJHSQLAOUSM-FPMFFAJLSA-N 2 1 261.325 1.764 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261723270 140379967 /nfs/dbraw/zinc/37/99/67/140379967.db2.gz QJCJKLNNTAVSFO-BPNCWPANSA-N 2 1 291.351 1.773 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261723270 140379968 /nfs/dbraw/zinc/37/99/68/140379968.db2.gz QJCJKLNNTAVSFO-BPNCWPANSA-N 2 1 291.351 1.773 20 5 CDBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578771006 324022212 /nfs/dbraw/zinc/02/22/12/324022212.db2.gz AURFQKPIZQEMNU-NWDGAFQWSA-N 2 1 293.371 1.150 20 5 CDBDMP C[C@@H]([NH2+]C[C@@]1(O)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573571438 1170696150 /nfs/dbraw/zinc/69/61/50/1170696150.db2.gz JOTFWADVNGGUTB-BXUZGUMPSA-N 2 1 279.340 1.360 20 5 CDBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+](C)C ZINC000866262561 740585468 /nfs/dbraw/zinc/58/54/68/740585468.db2.gz BUYNROVAJDFDOS-MFKMUULPSA-N 2 1 299.346 1.177 20 5 CDBDMP C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923288128 742359465 /nfs/dbraw/zinc/35/94/65/742359465.db2.gz HPXVLVYJPCXHOE-SWHYSGLUSA-N 2 1 279.340 1.297 20 5 CDBDMP C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923288128 742359471 /nfs/dbraw/zinc/35/94/71/742359471.db2.gz HPXVLVYJPCXHOE-SWHYSGLUSA-N 2 1 279.340 1.297 20 5 CDBDMP C[N@@H+]1CCc2c(N[C@H]([NH3+])CCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001170903856 930714126 /nfs/dbraw/zinc/71/41/26/930714126.db2.gz LZSBUBVNNZSNOK-AWEZNQCLSA-N 3 1 293.371 1.018 20 5 CDBDMP C[N@H+]1CCc2c(N[C@H]([NH3+])CCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001170903856 930714133 /nfs/dbraw/zinc/71/41/33/930714133.db2.gz LZSBUBVNNZSNOK-AWEZNQCLSA-N 3 1 293.371 1.018 20 5 CDBDMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414840806 370496333 /nfs/dbraw/zinc/49/63/33/370496333.db2.gz NMKMDILKFPBBPY-SNVBAGLBSA-N 2 1 267.329 1.549 20 5 CDBDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422746230 245206769 /nfs/dbraw/zinc/20/67/69/245206769.db2.gz WFKRERGXEHZSMM-RISCZKNCSA-N 2 1 263.341 1.725 20 5 CDBDMP C[C@]1(C[NH3+])CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000261600008 140361380 /nfs/dbraw/zinc/36/13/80/140361380.db2.gz PRVCEKHIADDTFK-CQSZACIVSA-N 2 1 263.341 1.808 20 5 CDBDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269616 148032579 /nfs/dbraw/zinc/03/25/79/148032579.db2.gz WHJFJXCXGVDIFX-ZDUSSCGKSA-N 2 1 295.387 1.598 20 5 CDBDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269616 148032581 /nfs/dbraw/zinc/03/25/81/148032581.db2.gz WHJFJXCXGVDIFX-ZDUSSCGKSA-N 2 1 295.387 1.598 20 5 CDBDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269616 148032583 /nfs/dbraw/zinc/03/25/83/148032583.db2.gz WHJFJXCXGVDIFX-ZDUSSCGKSA-N 2 1 295.387 1.598 20 5 CDBDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269616 148032585 /nfs/dbraw/zinc/03/25/85/148032585.db2.gz WHJFJXCXGVDIFX-ZDUSSCGKSA-N 2 1 295.387 1.598 20 5 CDBDMP C[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357098 748031536 /nfs/dbraw/zinc/03/15/36/748031536.db2.gz WBBLLIAAKNHJSL-ZIAGYGMSSA-N 2 1 279.340 1.299 20 5 CDBDMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357098 748031545 /nfs/dbraw/zinc/03/15/45/748031545.db2.gz WBBLLIAAKNHJSL-ZIAGYGMSSA-N 2 1 279.340 1.299 20 5 CDBDMP [NH3+]CC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254472766 947451898 /nfs/dbraw/zinc/45/18/98/947451898.db2.gz MWIMPFBMKWGYEM-UHFFFAOYSA-N 2 1 290.367 1.645 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)C[NH3+] ZINC001254532913 947509684 /nfs/dbraw/zinc/50/96/84/947509684.db2.gz SNJFJZBJWMLBTQ-SNVBAGLBSA-N 2 1 251.330 1.853 20 5 CDBDMP C[C@H]([NH2+]C[C@]1(O)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573571440 1170696316 /nfs/dbraw/zinc/69/63/16/1170696316.db2.gz JOTFWADVNGGUTB-FZMZJTMJSA-N 2 1 279.340 1.360 20 5 CDBDMP C[C@@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000601107555 342466810 /nfs/dbraw/zinc/46/68/10/342466810.db2.gz BBLOKEXGMJHKDV-JTQLQIEISA-N 2 1 274.324 1.927 20 5 CDBDMP C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000603429299 344802585 /nfs/dbraw/zinc/80/25/85/344802585.db2.gz NBGVQHNRNQOFHQ-DGCLKSJQSA-N 2 1 295.387 1.668 20 5 CDBDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283933711 357621239 /nfs/dbraw/zinc/62/12/39/357621239.db2.gz FCPZAIVYBBQINR-SNVBAGLBSA-N 2 1 278.356 1.922 20 5 CDBDMP [NH3+]C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000420381185 244175851 /nfs/dbraw/zinc/17/58/51/244175851.db2.gz YZKKYNBEBCBGST-LBPRGKRZSA-N 2 1 281.360 1.289 20 5 CDBDMP C[C@@](C[NH3+])([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430555540 374650722 /nfs/dbraw/zinc/65/07/22/374650722.db2.gz IVXUHQXHDBFFAC-AWEZNQCLSA-N 2 1 279.340 1.691 20 5 CDBDMP C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000430932135 393104490 /nfs/dbraw/zinc/10/44/90/393104490.db2.gz FRAQRCZPVKOAFX-FZMZJTMJSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000430932135 393104495 /nfs/dbraw/zinc/10/44/95/393104495.db2.gz FRAQRCZPVKOAFX-FZMZJTMJSA-N 2 1 279.340 1.643 20 5 CDBDMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261775658 140387322 /nfs/dbraw/zinc/38/73/22/140387322.db2.gz WLNLNCRCTDDACX-XQQFMLRXSA-N 2 1 291.351 1.773 20 5 CDBDMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261775658 140387323 /nfs/dbraw/zinc/38/73/23/140387323.db2.gz WLNLNCRCTDDACX-XQQFMLRXSA-N 2 1 291.351 1.773 20 5 CDBDMP CCCC[N@@H+](C)CC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791053677 751400009 /nfs/dbraw/zinc/40/00/09/751400009.db2.gz VTTLENQCZBFIAH-UHFFFAOYSA-N 2 1 257.378 1.707 20 5 CDBDMP C[N@H+]1CCc2c(-n3ccc(C[NH3+])c3)ccc([N+](=O)[O-])c2C1 ZINC001169725782 928346942 /nfs/dbraw/zinc/34/69/42/928346942.db2.gz KWSWVCPYNVTURE-UHFFFAOYSA-N 2 1 286.335 1.832 20 5 CDBDMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817970798 930653588 /nfs/dbraw/zinc/65/35/88/930653588.db2.gz FIXSVFJBZJDATD-CKYFFXLPSA-N 2 1 278.356 1.968 20 5 CDBDMP C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001163782995 939330098 /nfs/dbraw/zinc/33/00/98/939330098.db2.gz WFXHFQBIBDVLNC-LLVKDONJSA-N 2 1 292.383 1.945 20 5 CDBDMP C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001163782995 939330101 /nfs/dbraw/zinc/33/01/01/939330101.db2.gz WFXHFQBIBDVLNC-LLVKDONJSA-N 2 1 292.383 1.945 20 5 CDBDMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001246578536 948305198 /nfs/dbraw/zinc/30/51/98/948305198.db2.gz RRXGGLPQJUZPNA-MJBXVCDLSA-N 2 1 269.389 1.883 20 5 CDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000592984101 342751304 /nfs/dbraw/zinc/75/13/04/342751304.db2.gz HSDBRALCCPNIEZ-RYUDHWBXSA-N 2 1 291.355 1.086 20 5 CDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000592984101 342751305 /nfs/dbraw/zinc/75/13/05/342751305.db2.gz HSDBRALCCPNIEZ-RYUDHWBXSA-N 2 1 291.355 1.086 20 5 CDBDMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000261865547 357337350 /nfs/dbraw/zinc/33/73/50/357337350.db2.gz SNISYJDYVPJHEB-AWEZNQCLSA-N 2 1 279.340 1.644 20 5 CDBDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937276 359681792 /nfs/dbraw/zinc/68/17/92/359681792.db2.gz QPMOIJUNJLCNIU-RYUDHWBXSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937276 359681795 /nfs/dbraw/zinc/68/17/95/359681795.db2.gz QPMOIJUNJLCNIU-RYUDHWBXSA-N 2 1 279.340 1.785 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423507193 374385102 /nfs/dbraw/zinc/38/51/02/374385102.db2.gz HTFBPFRNYOUJMQ-OCCSQVGLSA-N 2 1 292.383 1.019 20 5 CDBDMP C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430932394 393105474 /nfs/dbraw/zinc/10/54/74/393105474.db2.gz GDMIPOVDMSFGSX-NWDGAFQWSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430932394 393105478 /nfs/dbraw/zinc/10/54/78/393105478.db2.gz GDMIPOVDMSFGSX-NWDGAFQWSA-N 2 1 279.340 1.643 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000261783234 140389176 /nfs/dbraw/zinc/38/91/76/140389176.db2.gz PVDCFLRLJCWKJO-VHDGCEQUSA-N 2 1 275.352 1.806 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261798593 140390470 /nfs/dbraw/zinc/39/04/70/140390470.db2.gz RCNSUXKFVNWNBJ-UONOGXRCSA-N 2 1 275.352 1.679 20 5 CDBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578771008 324022236 /nfs/dbraw/zinc/02/22/36/324022236.db2.gz AURFQKPIZQEMNU-VXGBXAGGSA-N 2 1 293.371 1.150 20 5 CDBDMP C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000400457709 533871512 /nfs/dbraw/zinc/87/15/12/533871512.db2.gz SXIWMFSTNYSQPZ-FZMZJTMJSA-N 2 1 263.341 1.867 20 5 CDBDMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925630338 754310807 /nfs/dbraw/zinc/31/08/07/754310807.db2.gz RFMTWYRUUZCQMP-CYBMUJFWSA-N 2 1 263.341 1.867 20 5 CDBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]21 ZINC000886832935 758171089 /nfs/dbraw/zinc/17/10/89/758171089.db2.gz PVDZPDHAIMNHGY-CYZMBNFOSA-N 2 1 276.340 1.549 20 5 CDBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]21 ZINC000886832935 758171109 /nfs/dbraw/zinc/17/11/09/758171109.db2.gz PVDZPDHAIMNHGY-CYZMBNFOSA-N 2 1 276.340 1.549 20 5 CDBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006383 927612026 /nfs/dbraw/zinc/61/20/26/927612026.db2.gz HGFONNCCKCABHS-XQHKEYJVSA-N 2 1 255.362 1.362 20 5 CDBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006383 927612031 /nfs/dbraw/zinc/61/20/31/927612031.db2.gz HGFONNCCKCABHS-XQHKEYJVSA-N 2 1 255.362 1.362 20 5 CDBDMP C[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C[NH3+] ZINC001246543029 948247361 /nfs/dbraw/zinc/24/73/61/948247361.db2.gz RHLCTLFLGLHDER-ZBINZKHDSA-N 2 1 275.352 1.589 20 5 CDBDMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001246578537 948302921 /nfs/dbraw/zinc/30/29/21/948302921.db2.gz RRXGGLPQJUZPNA-RDBSUJKOSA-N 2 1 269.389 1.883 20 5 CDBDMP C[N@@H+](CCC[NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000592473617 342698550 /nfs/dbraw/zinc/69/85/50/342698550.db2.gz HCSHTYUYDZDQRY-UHFFFAOYSA-N 2 1 253.302 1.254 20 5 CDBDMP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090537987 342396361 /nfs/dbraw/zinc/39/63/61/342396361.db2.gz AMQVMKGKBOFWSF-VXGBXAGGSA-N 2 1 279.344 1.008 20 5 CDBDMP C[C@H](C[NH3+])C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414874107 370964056 /nfs/dbraw/zinc/96/40/56/370964056.db2.gz IBRHHTLAXGHMMN-MRVPVSSYSA-N 2 1 289.282 1.881 20 5 CDBDMP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442767531 392494162 /nfs/dbraw/zinc/49/41/62/392494162.db2.gz RCLXWXYXZIWBOK-FOSCPWQOSA-N 2 1 279.344 1.006 20 5 CDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442767531 392494168 /nfs/dbraw/zinc/49/41/68/392494168.db2.gz RCLXWXYXZIWBOK-FOSCPWQOSA-N 2 1 279.344 1.006 20 5 CDBDMP C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000430932133 393105693 /nfs/dbraw/zinc/10/56/93/393105693.db2.gz FRAQRCZPVKOAFX-BXUZGUMPSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000430932133 393105695 /nfs/dbraw/zinc/10/56/95/393105695.db2.gz FRAQRCZPVKOAFX-BXUZGUMPSA-N 2 1 279.340 1.643 20 5 CDBDMP C[N@H+]1CCCC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000374624393 160302136 /nfs/dbraw/zinc/30/21/36/160302136.db2.gz PWNXJURSBIGMGW-UHFFFAOYSA-N 2 1 293.371 1.352 20 5 CDBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578771007 324021979 /nfs/dbraw/zinc/02/19/79/324021979.db2.gz AURFQKPIZQEMNU-RYUDHWBXSA-N 2 1 293.371 1.150 20 5 CDBDMP CC(C)([NH3+])CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000903938464 626156615 /nfs/dbraw/zinc/15/66/15/626156615.db2.gz BRVYXNGHMYVXDT-UHFFFAOYSA-N 2 1 295.339 1.583 20 5 CDBDMP C[NH+](C)/C=C/c1cc(N2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001166664749 939624377 /nfs/dbraw/zinc/62/43/77/939624377.db2.gz YFBQMAQMMRYNGP-ZZXKWVIFSA-N 2 1 291.355 1.450 20 5 CDBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000430552247 393101252 /nfs/dbraw/zinc/10/12/52/393101252.db2.gz JPNIIJLSNIONON-LLVKDONJSA-N 2 1 269.349 1.097 20 5 CDBDMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158635151 1178227038 /nfs/dbraw/zinc/22/70/38/1178227038.db2.gz SAAKDNZKOGAHKQ-WFASDCNBSA-N 2 1 293.367 1.560 20 5 CDBDMP CC[NH2+]CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841036067 779865894 /nfs/dbraw/zinc/86/58/94/779865894.db2.gz NWJZOHJYQMYERS-UHFFFAOYSA-N 2 1 292.383 1.763 20 5 CDBDMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001246548899 948257252 /nfs/dbraw/zinc/25/72/52/948257252.db2.gz KSGIIRTVIHOOEA-AVGNSLFASA-N 2 1 273.352 1.585 20 5 CDBDMP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246980825 948558747 /nfs/dbraw/zinc/55/87/47/948558747.db2.gz LQTXPVSWDZWRSE-QWRGUYRKSA-N 2 1 251.330 1.805 20 5 CDBDMP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246980825 948558754 /nfs/dbraw/zinc/55/87/54/948558754.db2.gz LQTXPVSWDZWRSE-QWRGUYRKSA-N 2 1 251.330 1.805 20 5 CDBDMP CC1([NH3+])CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592484579 342695706 /nfs/dbraw/zinc/69/57/06/342695706.db2.gz FBHNOASKVAKWHQ-UHFFFAOYSA-N 2 1 279.340 1.787 20 5 CDBDMP C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430919776 390942425 /nfs/dbraw/zinc/94/24/25/390942425.db2.gz MCZLIPLFAKDQOX-RISCZKNCSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430919776 390942426 /nfs/dbraw/zinc/94/24/26/390942426.db2.gz MCZLIPLFAKDQOX-RISCZKNCSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422746229 392956601 /nfs/dbraw/zinc/95/66/01/392956601.db2.gz WFKRERGXEHZSMM-FZMZJTMJSA-N 2 1 263.341 1.725 20 5 CDBDMP C[NH+](C)/C=C/c1cc(-n2cccc2C[NH3+])ncc1[N+](=O)[O-] ZINC001156730355 1162033558 /nfs/dbraw/zinc/03/35/58/1162033558.db2.gz ITSADHQAGRKIFU-FNORWQNLSA-N 2 1 287.323 1.772 20 5 CDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516179 923892829 /nfs/dbraw/zinc/89/28/29/923892829.db2.gz UDQLTMSVMWAYPU-GZBFAFLISA-N 2 1 291.351 1.170 20 5 CDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516179 923892835 /nfs/dbraw/zinc/89/28/35/923892835.db2.gz UDQLTMSVMWAYPU-GZBFAFLISA-N 2 1 291.351 1.170 20 5 CDBDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977731 927562280 /nfs/dbraw/zinc/56/22/80/927562280.db2.gz LNOZFJIUOXHAQI-MQYQWHSLSA-N 2 1 269.389 1.894 20 5 CDBDMP C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000886830298 930970794 /nfs/dbraw/zinc/97/07/94/930970794.db2.gz OOLQTSUBBBMWBN-UHFFFAOYSA-N 2 1 264.329 1.692 20 5 CDBDMP C[NH+](C)/C=C/c1cc(N[C@H]2C[C@@](C)([NH3+])C2)ncc1[N+](=O)[O-] ZINC001162328583 939024421 /nfs/dbraw/zinc/02/44/21/939024421.db2.gz GJEMMRJKBBLKNJ-SSJMGXCCSA-N 2 1 291.355 1.814 20 5 CDBDMP CCc1nc2c(c(O[C@H](C)C[N+](C)(C)C)n1)C[NH2+]C2 ZINC001218355321 941209092 /nfs/dbraw/zinc/20/90/92/941209092.db2.gz HMJVMRYVNZDXRM-SNVBAGLBSA-N 2 1 265.381 1.116 20 5 CDBDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356571652 969433391 /nfs/dbraw/zinc/43/33/91/969433391.db2.gz WSRROHQNTBXCAK-WFASDCNBSA-N 2 1 293.367 1.560 20 5 CDBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000430543704 393100751 /nfs/dbraw/zinc/10/07/51/393100751.db2.gz FCMCWQCHUPDQTO-UHFFFAOYSA-N 2 1 281.356 1.890 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967483 1161996299 /nfs/dbraw/zinc/99/62/99/1161996299.db2.gz PXOPHVBJYAADTL-RYUDHWBXSA-N 2 1 252.318 1.227 20 5 CDBDMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049589 927666350 /nfs/dbraw/zinc/66/63/50/927666350.db2.gz WOIIXERJQPHXHI-TZMCWYRMSA-N 2 1 269.389 1.848 20 5 CDBDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169054632 927672286 /nfs/dbraw/zinc/67/22/86/927672286.db2.gz NBEMLNIGHOHWOC-YIYPIFLZSA-N 2 1 267.373 1.315 20 5 CDBDMP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCCC[N+](C)(C)C ZINC001224621231 941777522 /nfs/dbraw/zinc/77/75/22/941777522.db2.gz ONKHMALYCWHPBQ-QDMKHBRRSA-N 2 1 255.426 1.830 20 5 CDBDMP C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001262256842 946551387 /nfs/dbraw/zinc/55/13/87/946551387.db2.gz WJHNWBKETUPCQH-RYUDHWBXSA-N 2 1 255.362 1.506 20 5 CDBDMP C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001262256842 946551396 /nfs/dbraw/zinc/55/13/96/946551396.db2.gz WJHNWBKETUPCQH-RYUDHWBXSA-N 2 1 255.362 1.506 20 5 CDBDMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580592 947537218 /nfs/dbraw/zinc/53/72/18/947537218.db2.gz GSQRRCKAEQSGNH-HZMBPMFUSA-N 2 1 263.341 1.589 20 5 CDBDMP O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246930220 948525512 /nfs/dbraw/zinc/52/55/12/948525512.db2.gz IJMIEQDFVXUHPS-FQUUOJAGSA-N 2 1 267.373 1.363 20 5 CDBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CC1 ZINC000423205323 296514213 /nfs/dbraw/zinc/51/42/13/296514213.db2.gz PCWROVYDNIAUID-ZIAGYGMSSA-N 2 1 275.352 1.867 20 5 CDBDMP C[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423336917 278184324 /nfs/dbraw/zinc/18/43/24/278184324.db2.gz UPIJGKQEYAGNMB-MFKMUULPSA-N 2 1 263.341 1.853 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000905097970 626637455 /nfs/dbraw/zinc/63/74/55/626637455.db2.gz PJVVGKWSQBFZHU-HNNXBMFYSA-N 2 1 277.368 1.417 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000905097970 626637459 /nfs/dbraw/zinc/63/74/59/626637459.db2.gz PJVVGKWSQBFZHU-HNNXBMFYSA-N 2 1 277.368 1.417 20 5 CDBDMP C[C@@H]1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000126714506 1166095511 /nfs/dbraw/zinc/09/55/11/1166095511.db2.gz QMBSXWCSJRIZQQ-KYOSRNDESA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000126714506 1166095516 /nfs/dbraw/zinc/09/55/16/1166095516.db2.gz QMBSXWCSJRIZQQ-KYOSRNDESA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000126714506 1166095521 /nfs/dbraw/zinc/09/55/21/1166095521.db2.gz QMBSXWCSJRIZQQ-KYOSRNDESA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000126714506 1166095527 /nfs/dbraw/zinc/09/55/27/1166095527.db2.gz QMBSXWCSJRIZQQ-KYOSRNDESA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392167 785338093 /nfs/dbraw/zinc/33/80/93/785338093.db2.gz HKAHQXOUFRIKON-SCDSUCTJSA-N 2 1 279.340 1.440 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392167 785338107 /nfs/dbraw/zinc/33/81/07/785338107.db2.gz HKAHQXOUFRIKON-SCDSUCTJSA-N 2 1 279.340 1.440 20 5 CDBDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925517105 787055361 /nfs/dbraw/zinc/05/53/61/787055361.db2.gz YVVBQPJNJXEWRL-YPMHNXCESA-N 2 1 263.341 1.867 20 5 CDBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001337602250 961300749 /nfs/dbraw/zinc/30/07/49/961300749.db2.gz QDAPKGJBPVBVFP-UHFFFAOYSA-N 2 1 290.367 1.955 20 5 CDBDMP COc1ccc(OCC[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342113885 536849546 /nfs/dbraw/zinc/84/95/46/536849546.db2.gz AWUXQVZXDZGFTQ-UHFFFAOYSA-N 2 1 295.339 1.453 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818989183 790050305 /nfs/dbraw/zinc/05/03/05/790050305.db2.gz KGCFBQTVCPTWIV-CQSZACIVSA-N 2 1 290.323 1.423 20 5 CDBDMP C[C@H]1CC2(C[N@H+]1Cc1cccnc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000886839480 791500885 /nfs/dbraw/zinc/50/08/85/791500885.db2.gz FRLRWOXHSSYODV-LBPRGKRZSA-N 2 1 290.367 1.954 20 5 CDBDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756567 792812861 /nfs/dbraw/zinc/81/28/61/792812861.db2.gz XGPZVAUECHFIOD-SNVBAGLBSA-N 2 1 289.339 1.804 20 5 CDBDMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817941262 795460918 /nfs/dbraw/zinc/46/09/18/795460918.db2.gz QNUNTLSPXIJHQY-SECBINFHSA-N 2 1 252.318 1.437 20 5 CDBDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000866707029 796024410 /nfs/dbraw/zinc/02/44/10/796024410.db2.gz LFJOSKRKGNJUIR-AWEZNQCLSA-N 2 1 295.387 1.488 20 5 CDBDMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038683 927651004 /nfs/dbraw/zinc/65/10/04/927651004.db2.gz KEDNAJTYQJDPRV-MJBXVCDLSA-N 2 1 267.373 1.459 20 5 CDBDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038683 927651011 /nfs/dbraw/zinc/65/10/11/927651011.db2.gz KEDNAJTYQJDPRV-MJBXVCDLSA-N 2 1 267.373 1.459 20 5 CDBDMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038683 927651018 /nfs/dbraw/zinc/65/10/18/927651018.db2.gz KEDNAJTYQJDPRV-MJBXVCDLSA-N 2 1 267.373 1.459 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001169019018 927659969 /nfs/dbraw/zinc/65/99/69/927659969.db2.gz GEGJZZQUFIUJCB-CABCVRRESA-N 2 1 293.411 1.850 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001169019018 927659974 /nfs/dbraw/zinc/65/99/74/927659974.db2.gz GEGJZZQUFIUJCB-CABCVRRESA-N 2 1 293.411 1.850 20 5 CDBDMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580595 947538246 /nfs/dbraw/zinc/53/82/46/947538246.db2.gz GSQRRCKAEQSGNH-YGRLFVJLSA-N 2 1 263.341 1.589 20 5 CDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188478 948020763 /nfs/dbraw/zinc/02/07/63/948020763.db2.gz XKSRDDDWSABZSP-WCQYABFASA-N 2 1 263.341 1.867 20 5 CDBDMP [NH3+]C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000033439833 356170173 /nfs/dbraw/zinc/17/01/73/356170173.db2.gz KNZUWNIMYBVKIK-UHFFFAOYSA-N 2 1 265.313 1.397 20 5 CDBDMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000113516281 374261917 /nfs/dbraw/zinc/26/19/17/374261917.db2.gz QQWDWSVQWJEURJ-CYBMUJFWSA-N 2 1 293.367 1.857 20 5 CDBDMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000113516281 374261929 /nfs/dbraw/zinc/26/19/29/374261929.db2.gz QQWDWSVQWJEURJ-CYBMUJFWSA-N 2 1 293.367 1.857 20 5 CDBDMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368523 374379808 /nfs/dbraw/zinc/37/98/08/374379808.db2.gz NHIWLSXCJXKUGN-AXFHLTTASA-N 2 1 267.333 1.212 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357086336 375884290 /nfs/dbraw/zinc/88/42/90/375884290.db2.gz UZKDORMDUDRVGR-QWHCGFSZSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357086336 375884296 /nfs/dbraw/zinc/88/42/96/375884296.db2.gz UZKDORMDUDRVGR-QWHCGFSZSA-N 2 1 291.351 1.515 20 5 CDBDMP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000906508065 627295614 /nfs/dbraw/zinc/29/56/14/627295614.db2.gz JWMGUOSUCBLQIG-MGCOHNPYSA-N 2 1 251.286 1.183 20 5 CDBDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756565 797829192 /nfs/dbraw/zinc/82/91/92/797829192.db2.gz XGPZVAUECHFIOD-JTQLQIEISA-N 2 1 289.339 1.804 20 5 CDBDMP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923521607 923898100 /nfs/dbraw/zinc/89/81/00/923898100.db2.gz REBOTZSEPURIFE-QWHCGFSZSA-N 2 1 261.325 1.636 20 5 CDBDMP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923521607 923898105 /nfs/dbraw/zinc/89/81/05/923898105.db2.gz REBOTZSEPURIFE-QWHCGFSZSA-N 2 1 261.325 1.636 20 5 CDBDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925627558 932917394 /nfs/dbraw/zinc/91/73/94/932917394.db2.gz BQYDZJSSYRWVJA-RISCZKNCSA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@@H](C[N+](C)(C)C)Oc1cccnc1C[NH+](C)C ZINC001225279381 941837896 /nfs/dbraw/zinc/83/78/96/941837896.db2.gz WUHLOLHGFVPYRJ-LBPRGKRZSA-N 2 1 252.382 1.617 20 5 CDBDMP C[NH+](C)CCC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601085 947550182 /nfs/dbraw/zinc/55/01/82/947550182.db2.gz YYMKKFKMNYKCJY-HNNXBMFYSA-N 2 1 277.368 1.946 20 5 CDBDMP C[NH+](C)CCC[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601085 947550193 /nfs/dbraw/zinc/55/01/93/947550193.db2.gz YYMKKFKMNYKCJY-HNNXBMFYSA-N 2 1 277.368 1.946 20 5 CDBDMP COc1cc(C[NH2+]C[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000414888245 369109129 /nfs/dbraw/zinc/10/91/29/369109129.db2.gz ZVCOJCCLXFLJGS-SECBINFHSA-N 2 1 283.328 1.296 20 5 CDBDMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680603 390815990 /nfs/dbraw/zinc/81/59/90/390815990.db2.gz UGCLHGDHCKRMPS-JSGCOSHPSA-N 2 1 293.371 1.207 20 5 CDBDMP C[N@H+]1CCC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680603 390815993 /nfs/dbraw/zinc/81/59/93/390815993.db2.gz UGCLHGDHCKRMPS-JSGCOSHPSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680603 390815996 /nfs/dbraw/zinc/81/59/96/390815996.db2.gz UGCLHGDHCKRMPS-JSGCOSHPSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680603 390815999 /nfs/dbraw/zinc/81/59/99/390815999.db2.gz UGCLHGDHCKRMPS-JSGCOSHPSA-N 2 1 293.371 1.207 20 5 CDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261632854 140366806 /nfs/dbraw/zinc/36/68/06/140366806.db2.gz BJIMMQXFZAOECP-OAHLLOKOSA-N 2 1 275.352 1.823 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423232136 274498796 /nfs/dbraw/zinc/49/87/96/274498796.db2.gz HNGPYCRAJLXHCP-DGCLKSJQSA-N 2 1 263.341 1.867 20 5 CDBDMP C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000147659581 620852572 /nfs/dbraw/zinc/85/25/72/620852572.db2.gz IPACLLWKGOCUCL-CQSZACIVSA-N 2 1 279.340 1.312 20 5 CDBDMP O=[N+]([O-])CCNC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000905074991 626618190 /nfs/dbraw/zinc/61/81/90/626618190.db2.gz HTSDLRXBCAJOCB-GFCCVEGCSA-N 2 1 283.397 1.826 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000905074991 626618192 /nfs/dbraw/zinc/61/81/92/626618192.db2.gz HTSDLRXBCAJOCB-GFCCVEGCSA-N 2 1 283.397 1.826 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000905074991 626618193 /nfs/dbraw/zinc/61/81/93/626618193.db2.gz HTSDLRXBCAJOCB-GFCCVEGCSA-N 2 1 283.397 1.826 20 5 CDBDMP O=[N+]([O-])CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000905074991 626618195 /nfs/dbraw/zinc/61/81/95/626618195.db2.gz HTSDLRXBCAJOCB-GFCCVEGCSA-N 2 1 283.397 1.826 20 5 CDBDMP CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251665139 1160571060 /nfs/dbraw/zinc/57/10/60/1160571060.db2.gz HFSSUBQSFVYZDP-VXGBXAGGSA-N 2 1 281.360 1.159 20 5 CDBDMP CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251665139 1160571064 /nfs/dbraw/zinc/57/10/64/1160571064.db2.gz HFSSUBQSFVYZDP-VXGBXAGGSA-N 2 1 281.360 1.159 20 5 CDBDMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967500 1161996054 /nfs/dbraw/zinc/99/60/54/1161996054.db2.gz QFFCBAWLHYUNRX-WDEREUQCSA-N 2 1 252.318 1.311 20 5 CDBDMP CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923343377 812814242 /nfs/dbraw/zinc/81/42/42/812814242.db2.gz AJWXSPIJUVTDMC-DFBGVHRSSA-N 2 1 293.367 1.687 20 5 CDBDMP CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923343377 812814245 /nfs/dbraw/zinc/81/42/45/812814245.db2.gz AJWXSPIJUVTDMC-DFBGVHRSSA-N 2 1 293.367 1.687 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001169036574 927646223 /nfs/dbraw/zinc/64/62/23/927646223.db2.gz GSVSPCTUPHGUSE-VXGBXAGGSA-N 2 1 264.329 1.187 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001169036574 927646228 /nfs/dbraw/zinc/64/62/28/927646228.db2.gz GSVSPCTUPHGUSE-VXGBXAGGSA-N 2 1 264.329 1.187 20 5 CDBDMP Cc1cc([N+](=O)[O-])cnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160509412 938792564 /nfs/dbraw/zinc/79/25/64/938792564.db2.gz RXVUVSXMDDGYBD-CQSZACIVSA-N 2 1 291.355 1.133 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)C2 ZINC001246089413 947939902 /nfs/dbraw/zinc/93/99/02/947939902.db2.gz DWKWAIGAGCZCRJ-KGLIPLIRSA-N 2 1 275.352 1.794 20 5 CDBDMP COc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000592477132 342699182 /nfs/dbraw/zinc/69/91/82/342699182.db2.gz YWVOBRPCYPHOTI-UHFFFAOYSA-N 2 1 283.328 1.011 20 5 CDBDMP Cc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261789433 357323107 /nfs/dbraw/zinc/32/31/07/357323107.db2.gz QITYNOXRCOAIGT-GXTWGEPZSA-N 2 1 275.352 1.945 20 5 CDBDMP Cc1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261789433 357323108 /nfs/dbraw/zinc/32/31/08/357323108.db2.gz QITYNOXRCOAIGT-GXTWGEPZSA-N 2 1 275.352 1.945 20 5 CDBDMP C[C@H](C[NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414872402 370964116 /nfs/dbraw/zinc/96/41/16/370964116.db2.gz FYIBEYYWWOXJPC-MRVPVSSYSA-N 2 1 257.721 1.933 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967484 1161996028 /nfs/dbraw/zinc/99/60/28/1161996028.db2.gz PXOPHVBJYAADTL-VXGBXAGGSA-N 2 1 252.318 1.227 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000886872507 819048361 /nfs/dbraw/zinc/04/83/61/819048361.db2.gz UKOKILWBMFVUGT-AWEZNQCLSA-N 2 1 293.371 1.257 20 5 CDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000886872507 819048364 /nfs/dbraw/zinc/04/83/64/819048364.db2.gz UKOKILWBMFVUGT-AWEZNQCLSA-N 2 1 293.371 1.257 20 5 CDBDMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923480330 821093253 /nfs/dbraw/zinc/09/32/53/821093253.db2.gz XFNPJRPZITUIEB-BXUZGUMPSA-N 2 1 279.340 1.299 20 5 CDBDMP C[NH+]1CCC2(CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169039597 927649617 /nfs/dbraw/zinc/64/96/17/927649617.db2.gz REXKONOTLLJSAL-KGLIPLIRSA-N 2 1 281.400 1.850 20 5 CDBDMP CC(C)(C[NH3+])[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465221 947451046 /nfs/dbraw/zinc/45/10/46/947451046.db2.gz UVRCPVKQQGHILP-UHFFFAOYSA-N 2 1 292.383 1.891 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246185544 948018394 /nfs/dbraw/zinc/01/83/94/948018394.db2.gz BQAQEMOCSUZVBL-OLZOCXBDSA-N 2 1 261.325 1.404 20 5 CDBDMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001246555643 948261969 /nfs/dbraw/zinc/26/19/69/948261969.db2.gz XWGMMFKTMIMDLH-AVGNSLFASA-N 2 1 255.362 1.635 20 5 CDBDMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H]1C[NH3+] ZINC001246554603 948262886 /nfs/dbraw/zinc/26/28/86/948262886.db2.gz BTDHEYRQFRMUGT-AAVRWANBSA-N 2 1 269.389 1.739 20 5 CDBDMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762541 960555740 /nfs/dbraw/zinc/55/57/40/960555740.db2.gz CSYASJNPVMCGHG-BXUZGUMPSA-N 2 1 279.340 1.170 20 5 CDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C1 ZINC000414892208 371033370 /nfs/dbraw/zinc/03/33/70/371033370.db2.gz XMXCKKZRZWBVRG-DGCLKSJQSA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422797123 245266318 /nfs/dbraw/zinc/26/63/18/245266318.db2.gz ZWIMJSWQZVDBMF-YPMHNXCESA-N 2 1 263.341 1.867 20 5 CDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000351477538 375301363 /nfs/dbraw/zinc/30/13/63/375301363.db2.gz NLTDELJABWIZAK-TUKIKUTGSA-N 2 1 291.351 1.643 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428040576 247233470 /nfs/dbraw/zinc/23/34/70/247233470.db2.gz WRUOGAWMRXUPRG-DOMZBBRYSA-N 2 1 291.351 1.657 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428040576 247233473 /nfs/dbraw/zinc/23/34/73/247233473.db2.gz WRUOGAWMRXUPRG-DOMZBBRYSA-N 2 1 291.351 1.657 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000261602090 140360814 /nfs/dbraw/zinc/36/08/14/140360814.db2.gz QHSMHPXMUBWXED-KWCYVHTRSA-N 2 1 261.325 1.764 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000261602090 140360815 /nfs/dbraw/zinc/36/08/15/140360815.db2.gz QHSMHPXMUBWXED-KWCYVHTRSA-N 2 1 261.325 1.764 20 5 CDBDMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905402483 626797341 /nfs/dbraw/zinc/79/73/41/626797341.db2.gz ZMMPMOKTWJXGNA-ZFWWWQNUSA-N 2 1 277.368 1.621 20 5 CDBDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905402483 626797346 /nfs/dbraw/zinc/79/73/46/626797346.db2.gz ZMMPMOKTWJXGNA-ZFWWWQNUSA-N 2 1 277.368 1.621 20 5 CDBDMP C[C@]1(C[NH3+])CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357097 823927039 /nfs/dbraw/zinc/92/70/39/823927039.db2.gz WBBLLIAAKNHJSL-UONOGXRCSA-N 2 1 279.340 1.299 20 5 CDBDMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357097 823927052 /nfs/dbraw/zinc/92/70/52/823927052.db2.gz WBBLLIAAKNHJSL-UONOGXRCSA-N 2 1 279.340 1.299 20 5 CDBDMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923348828 827113632 /nfs/dbraw/zinc/11/36/32/827113632.db2.gz LLCUEYGSHYVTLF-WFASDCNBSA-N 2 1 293.367 1.689 20 5 CDBDMP Cc1c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000702587216 827648014 /nfs/dbraw/zinc/64/80/14/827648014.db2.gz MEHFAEIOYPCWNG-AWEZNQCLSA-N 2 1 279.340 1.059 20 5 CDBDMP Cc1c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000702587216 827648026 /nfs/dbraw/zinc/64/80/26/827648026.db2.gz MEHFAEIOYPCWNG-AWEZNQCLSA-N 2 1 279.340 1.059 20 5 CDBDMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001118122174 937593761 /nfs/dbraw/zinc/59/37/61/937593761.db2.gz QNALOOSHLXFLOE-NXEZZACHSA-N 2 1 266.345 1.826 20 5 CDBDMP C[C@H](C[N+](C)(C)C)Oc1cccnc1C[NH+](C)C ZINC001225279380 941837187 /nfs/dbraw/zinc/83/71/87/941837187.db2.gz WUHLOLHGFVPYRJ-GFCCVEGCSA-N 2 1 252.382 1.617 20 5 CDBDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592438936 342692882 /nfs/dbraw/zinc/69/28/82/342692882.db2.gz WGGFWWKBEVAOQN-VHSXEESVSA-N 2 1 295.339 1.581 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOCC[NH3+] ZINC000600732760 375368627 /nfs/dbraw/zinc/36/86/27/375368627.db2.gz FLPWXEVFQOESOW-UHFFFAOYSA-N 2 1 283.328 1.011 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCC[NH3+] ZINC000600732760 375368634 /nfs/dbraw/zinc/36/86/34/375368634.db2.gz FLPWXEVFQOESOW-UHFFFAOYSA-N 2 1 283.328 1.011 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357086334 375883910 /nfs/dbraw/zinc/88/39/10/375883910.db2.gz UZKDORMDUDRVGR-OLZOCXBDSA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357086334 375883916 /nfs/dbraw/zinc/88/39/16/375883916.db2.gz UZKDORMDUDRVGR-OLZOCXBDSA-N 2 1 291.351 1.515 20 5 CDBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000430642420 391351840 /nfs/dbraw/zinc/35/18/40/391351840.db2.gz KIVJBKDZHMKADL-UHFFFAOYSA-N 2 1 279.340 1.657 20 5 CDBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000442784195 392494201 /nfs/dbraw/zinc/49/42/01/392494201.db2.gz ROLDJPPJWCFCRV-NEPJUHHUSA-N 2 1 279.340 1.643 20 5 CDBDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431793 523856070 /nfs/dbraw/zinc/85/60/70/523856070.db2.gz VYSAMLCWYHBXJX-AWEZNQCLSA-N 2 1 293.371 1.209 20 5 CDBDMP C[N@H+]1CCC[C@]2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431793 523856075 /nfs/dbraw/zinc/85/60/75/523856075.db2.gz VYSAMLCWYHBXJX-AWEZNQCLSA-N 2 1 293.371 1.209 20 5 CDBDMP C[NH+]1CCC[C@]2(CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431793 523856084 /nfs/dbraw/zinc/85/60/84/523856084.db2.gz VYSAMLCWYHBXJX-AWEZNQCLSA-N 2 1 293.371 1.209 20 5 CDBDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431793 523856087 /nfs/dbraw/zinc/85/60/87/523856087.db2.gz VYSAMLCWYHBXJX-AWEZNQCLSA-N 2 1 293.371 1.209 20 5 CDBDMP C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000223282208 619297102 /nfs/dbraw/zinc/29/71/02/619297102.db2.gz QMBSXWCSJRIZQQ-OSAQELSMSA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000223282208 619297108 /nfs/dbraw/zinc/29/71/08/619297108.db2.gz QMBSXWCSJRIZQQ-OSAQELSMSA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000223282208 619297111 /nfs/dbraw/zinc/29/71/11/619297111.db2.gz QMBSXWCSJRIZQQ-OSAQELSMSA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905402480 626797511 /nfs/dbraw/zinc/79/75/11/626797511.db2.gz ZMMPMOKTWJXGNA-DZGCQCFKSA-N 2 1 277.368 1.621 20 5 CDBDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905402480 626797515 /nfs/dbraw/zinc/79/75/15/626797515.db2.gz ZMMPMOKTWJXGNA-DZGCQCFKSA-N 2 1 277.368 1.621 20 5 CDBDMP C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923375959 832311802 /nfs/dbraw/zinc/31/18/02/832311802.db2.gz SLQGPDWAIGTXJF-UXIGCNINSA-N 2 1 293.367 1.545 20 5 CDBDMP C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923375959 832311811 /nfs/dbraw/zinc/31/18/11/832311811.db2.gz SLQGPDWAIGTXJF-UXIGCNINSA-N 2 1 293.367 1.545 20 5 CDBDMP CC1([NH3+])CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923345653 834091758 /nfs/dbraw/zinc/09/17/58/834091758.db2.gz KVUANURCFVTBBY-CYBMUJFWSA-N 2 1 279.340 1.441 20 5 CDBDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169029018 927635893 /nfs/dbraw/zinc/63/58/93/927635893.db2.gz TWHLRGVKGNBISE-UONOGXRCSA-N 2 1 269.389 1.705 20 5 CDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)C2 ZINC001246089415 947939518 /nfs/dbraw/zinc/93/95/18/947939518.db2.gz DWKWAIGAGCZCRJ-ZIAGYGMSSA-N 2 1 275.352 1.794 20 5 CDBDMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246553356 948260468 /nfs/dbraw/zinc/26/04/68/948260468.db2.gz AYVJIPPKKRGYTI-HBNTYKKESA-N 2 1 277.315 1.348 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246641390 948377298 /nfs/dbraw/zinc/37/72/98/948377298.db2.gz DWZINMHWQHZZFE-MGPQQGTHSA-N 2 1 267.373 1.650 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246641390 948377305 /nfs/dbraw/zinc/37/73/05/948377305.db2.gz DWZINMHWQHZZFE-MGPQQGTHSA-N 2 1 267.373 1.650 20 5 CDBDMP C[C@@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001338476878 961825673 /nfs/dbraw/zinc/82/56/73/961825673.db2.gz YALXWBPXLDOXJY-FZMZJTMJSA-N 2 1 281.356 1.558 20 5 CDBDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000600771916 342248869 /nfs/dbraw/zinc/24/88/69/342248869.db2.gz CHSJGBXRQSYWOG-UHFFFAOYSA-N 2 1 281.356 1.571 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000602818480 344607973 /nfs/dbraw/zinc/60/79/73/344607973.db2.gz DSWPQUZMGCLABG-ZDUSSCGKSA-N 2 1 295.387 1.516 20 5 CDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000602818480 344607977 /nfs/dbraw/zinc/60/79/77/344607977.db2.gz DSWPQUZMGCLABG-ZDUSSCGKSA-N 2 1 295.387 1.516 20 5 CDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000124624338 351359173 /nfs/dbraw/zinc/35/91/73/351359173.db2.gz GZHVSWXGLBPOAC-YPMHNXCESA-N 2 1 263.341 1.949 20 5 CDBDMP C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000291698334 198062211 /nfs/dbraw/zinc/06/22/11/198062211.db2.gz JVRRVMXWOHOHCE-NSHDSACASA-N 2 1 251.330 1.882 20 5 CDBDMP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000420372653 285184154 /nfs/dbraw/zinc/18/41/54/285184154.db2.gz LQNQQUJINOAJGH-UHFFFAOYSA-N 2 1 290.367 1.738 20 5 CDBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415043579 391249950 /nfs/dbraw/zinc/24/99/50/391249950.db2.gz RSDQLCVOADVTKD-ZRFDWSJLSA-N 2 1 291.351 1.576 20 5 CDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000841045008 618678393 /nfs/dbraw/zinc/67/83/93/618678393.db2.gz KDPVLPVGLGDZKF-CYBMUJFWSA-N 2 1 290.367 1.515 20 5 CDBDMP CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923343381 836034927 /nfs/dbraw/zinc/03/49/27/836034927.db2.gz AJWXSPIJUVTDMC-UGFHNGPFSA-N 2 1 293.367 1.687 20 5 CDBDMP CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923343381 836034939 /nfs/dbraw/zinc/03/49/39/836034939.db2.gz AJWXSPIJUVTDMC-UGFHNGPFSA-N 2 1 293.367 1.687 20 5 CDBDMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169048999 927666122 /nfs/dbraw/zinc/66/61/22/927666122.db2.gz VRCFSHSXROKAKY-APIJFGDWSA-N 2 1 281.400 1.705 20 5 CDBDMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169048999 927666128 /nfs/dbraw/zinc/66/61/28/927666128.db2.gz VRCFSHSXROKAKY-APIJFGDWSA-N 2 1 281.400 1.705 20 5 CDBDMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169048999 927666133 /nfs/dbraw/zinc/66/61/33/927666133.db2.gz VRCFSHSXROKAKY-APIJFGDWSA-N 2 1 281.400 1.705 20 5 CDBDMP C[C@@H](C[NH+](C)C)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001155922197 937689305 /nfs/dbraw/zinc/68/93/05/937689305.db2.gz VEELTWNPKWTSRH-MLRMMBSGSA-N 2 1 293.371 1.884 20 5 CDBDMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224773077 941790278 /nfs/dbraw/zinc/79/02/78/941790278.db2.gz DJEZJLZRBJRQQU-LSDHHAIUSA-N 2 1 278.420 1.940 20 5 CDBDMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581502 969436137 /nfs/dbraw/zinc/43/61/37/969436137.db2.gz ARUOPYCGXPLHLE-SWLSCSKDSA-N 2 1 293.367 1.560 20 5 CDBDMP C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000420401811 244204701 /nfs/dbraw/zinc/20/47/01/244204701.db2.gz JNARYCDNUHEBHF-STQMWFEESA-N 2 1 293.367 1.890 20 5 CDBDMP COc1cc(C[NH2+][C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000414876325 370966054 /nfs/dbraw/zinc/96/60/54/370966054.db2.gz DDNMZCBBKOTWDZ-VIFPVBQESA-N 2 1 283.328 1.439 20 5 CDBDMP C[C@H]1CC2(C[N@H+]1CCn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000424283311 374407114 /nfs/dbraw/zinc/40/71/14/374407114.db2.gz BHFXWCIWPASYBZ-LBPRGKRZSA-N 2 1 293.371 1.255 20 5 CDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000261660837 140370937 /nfs/dbraw/zinc/37/09/37/140370937.db2.gz ZEBYJHSQLAOUSM-KWCYVHTRSA-N 2 1 261.325 1.764 20 5 CDBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000351861969 154776820 /nfs/dbraw/zinc/77/68/20/154776820.db2.gz MRJQEXLEAVDGTE-NEPJUHHUSA-N 2 1 279.340 1.643 20 5 CDBDMP [NH3+]C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313339879 260285848 /nfs/dbraw/zinc/28/58/48/260285848.db2.gz CNYUHXDRGCBELT-AWEZNQCLSA-N 2 1 279.340 1.187 20 5 CDBDMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313339879 260285850 /nfs/dbraw/zinc/28/58/50/260285850.db2.gz CNYUHXDRGCBELT-AWEZNQCLSA-N 2 1 279.340 1.187 20 5 CDBDMP [NH3+]C1CC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000906510025 627297765 /nfs/dbraw/zinc/29/77/65/627297765.db2.gz HNAHOLSMUOPFEK-UHFFFAOYSA-N 2 1 255.705 1.828 20 5 CDBDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965843 927589958 /nfs/dbraw/zinc/58/99/58/927589958.db2.gz CPZVSKUYHNEFRV-MCIONIFRSA-N 2 1 269.389 1.753 20 5 CDBDMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246553358 948258084 /nfs/dbraw/zinc/25/80/84/948258084.db2.gz AYVJIPPKKRGYTI-MXWKQRLJSA-N 2 1 277.315 1.348 20 5 CDBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCC[NH3+] ZINC000600737592 342246500 /nfs/dbraw/zinc/24/65/00/342246500.db2.gz WTOKSZXYDUNBBO-NSHDSACASA-N 2 1 267.329 1.563 20 5 CDBDMP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000603430558 344803010 /nfs/dbraw/zinc/80/30/10/344803010.db2.gz AFDOKMRKSROPFH-STQMWFEESA-N 2 1 279.340 1.819 20 5 CDBDMP [NH3+][C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414892502 371033128 /nfs/dbraw/zinc/03/31/28/371033128.db2.gz JFXZOUAKDKYQLN-MASHWEEQSA-N 2 1 261.325 1.935 20 5 CDBDMP C[NH2+]CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000124945462 374873455 /nfs/dbraw/zinc/87/34/55/374873455.db2.gz HNVSXAYRDKHXRN-UHFFFAOYSA-N 2 1 251.330 1.679 20 5 CDBDMP C[NH2+]CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000124945462 374873459 /nfs/dbraw/zinc/87/34/59/374873459.db2.gz HNVSXAYRDKHXRN-UHFFFAOYSA-N 2 1 251.330 1.679 20 5 CDBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000420330017 392918140 /nfs/dbraw/zinc/91/81/40/392918140.db2.gz KXOIPEYMUIQOMQ-UHFFFAOYSA-N 2 1 265.313 1.395 20 5 CDBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000420330017 392918144 /nfs/dbraw/zinc/91/81/44/392918144.db2.gz KXOIPEYMUIQOMQ-UHFFFAOYSA-N 2 1 265.313 1.395 20 5 CDBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578771005 324022401 /nfs/dbraw/zinc/02/24/01/324022401.db2.gz AURFQKPIZQEMNU-NEPJUHHUSA-N 2 1 293.371 1.150 20 5 CDBDMP [NH3+]C/C=C/C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001580280826 1172391003 /nfs/dbraw/zinc/39/10/03/1172391003.db2.gz RVBBNJOERSCHFW-OWOJBTEDSA-N 2 1 262.269 1.341 20 5 CDBDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925517099 704887788 /nfs/dbraw/zinc/88/77/88/704887788.db2.gz YVVBQPJNJXEWRL-AAEUAGOBSA-N 2 1 263.341 1.867 20 5 CDBDMP C[C@@H]1CC2(C[N@H+]1Cc1cccnc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000886839479 705199588 /nfs/dbraw/zinc/19/95/88/705199588.db2.gz FRLRWOXHSSYODV-GFCCVEGCSA-N 2 1 290.367 1.954 20 5 CDBDMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817977463 848519541 /nfs/dbraw/zinc/51/95/41/848519541.db2.gz KSTSDTBWAMYAMK-PZWLIILKSA-N 2 1 262.313 1.045 20 5 CDBDMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923348827 849671436 /nfs/dbraw/zinc/67/14/36/849671436.db2.gz LLCUEYGSHYVTLF-SWLSCSKDSA-N 2 1 293.367 1.689 20 5 CDBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923518169 850009905 /nfs/dbraw/zinc/00/99/05/850009905.db2.gz IYXSTXGUSVQPNS-QWHCGFSZSA-N 2 1 291.351 1.515 20 5 CDBDMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992481 927600474 /nfs/dbraw/zinc/60/04/74/927600474.db2.gz JYQYGTFIZGLBKN-TZMCWYRMSA-N 2 1 285.388 1.132 20 5 CDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188476 948020971 /nfs/dbraw/zinc/02/09/71/948020971.db2.gz XKSRDDDWSABZSP-DGCLKSJQSA-N 2 1 263.341 1.867 20 5 CDBDMP [NH3+][C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246549251 948255959 /nfs/dbraw/zinc/25/59/59/948255959.db2.gz WGWXGDVDJGLLTR-ZFWWWQNUSA-N 2 1 275.352 1.875 20 5 CDBDMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001246578533 948304155 /nfs/dbraw/zinc/30/41/55/948304155.db2.gz RRXGGLPQJUZPNA-IHRRRGAJSA-N 2 1 269.389 1.883 20 5 CDBDMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246582482 948311778 /nfs/dbraw/zinc/31/17/78/948311778.db2.gz MYNAPNRARFMTSZ-AVGNSLFASA-N 2 1 255.362 1.493 20 5 CDBDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420367074 535041075 /nfs/dbraw/zinc/04/10/75/535041075.db2.gz SAWOMHAOJVUMFR-CYBMUJFWSA-N 2 1 281.356 1.937 20 5 CDBDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000424336712 374408493 /nfs/dbraw/zinc/40/84/93/374408493.db2.gz QRZAPMJZPXHOCE-VXGBXAGGSA-N 2 1 279.340 1.833 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357086338 375884051 /nfs/dbraw/zinc/88/40/51/375884051.db2.gz UZKDORMDUDRVGR-STQMWFEESA-N 2 1 291.351 1.515 20 5 CDBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357086338 375884056 /nfs/dbraw/zinc/88/40/56/375884056.db2.gz UZKDORMDUDRVGR-STQMWFEESA-N 2 1 291.351 1.515 20 5 CDBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000442784202 392493977 /nfs/dbraw/zinc/49/39/77/392493977.db2.gz ROLDJPPJWCFCRV-VXGBXAGGSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430932393 393104606 /nfs/dbraw/zinc/10/46/06/393104606.db2.gz GDMIPOVDMSFGSX-NEPJUHHUSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430932393 393104609 /nfs/dbraw/zinc/10/46/09/393104609.db2.gz GDMIPOVDMSFGSX-NEPJUHHUSA-N 2 1 279.340 1.643 20 5 CDBDMP COc1ccc(C[NH2+]C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000906509572 627297445 /nfs/dbraw/zinc/29/74/45/627297445.db2.gz JWMGUOSUCBLQIG-UHFFFAOYSA-N 2 1 251.286 1.183 20 5 CDBDMP [NH3+][C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246549245 948257322 /nfs/dbraw/zinc/25/73/22/948257322.db2.gz WGWXGDVDJGLLTR-DZGCQCFKSA-N 2 1 275.352 1.875 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012428 948574946 /nfs/dbraw/zinc/57/49/46/948574946.db2.gz DKMVIEVPCUFOKW-ZOBORPQBSA-N 2 1 267.373 1.506 20 5 CDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012428 948574952 /nfs/dbraw/zinc/57/49/52/948574952.db2.gz DKMVIEVPCUFOKW-ZOBORPQBSA-N 2 1 267.373 1.506 20 5 CDBDMP C[C@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001338476880 961823253 /nfs/dbraw/zinc/82/32/53/961823253.db2.gz YALXWBPXLDOXJY-RISCZKNCSA-N 2 1 281.356 1.558 20 5 CDBDMP C[C@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726445 342829294 /nfs/dbraw/zinc/82/92/94/342829294.db2.gz HZERAIGWLOXVOX-CMPLNLGQSA-N 2 1 279.340 1.717 20 5 CDBDMP C[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726445 342829296 /nfs/dbraw/zinc/82/92/96/342829296.db2.gz HZERAIGWLOXVOX-CMPLNLGQSA-N 2 1 279.340 1.717 20 5 CDBDMP Cc1noc(CN(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000595389092 343053099 /nfs/dbraw/zinc/05/30/99/343053099.db2.gz KOMOOUQJMAKPJX-UHFFFAOYSA-N 2 1 293.327 1.918 20 5 CDBDMP O=[N+]([O-])c1ccccc1CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839637 366160171 /nfs/dbraw/zinc/16/01/71/366160171.db2.gz IEHVBBOTWJJUCH-ZIAGYGMSSA-N 2 1 291.351 1.548 20 5 CDBDMP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000582965641 325080068 /nfs/dbraw/zinc/08/00/68/325080068.db2.gz UGARTLALVHCYDT-NXEZZACHSA-N 2 1 297.355 1.827 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967481 1161996133 /nfs/dbraw/zinc/99/61/33/1161996133.db2.gz PXOPHVBJYAADTL-NEPJUHHUSA-N 2 1 252.318 1.227 20 5 CDBDMP O=[N+]([O-])CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000929262348 712698800 /nfs/dbraw/zinc/69/88/00/712698800.db2.gz KKGKMCRLBQVLMM-UHFFFAOYSA-N 2 1 269.389 1.851 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723690604 896132040 /nfs/dbraw/zinc/13/20/40/896132040.db2.gz TZJACMCPWMQJIK-LLVKDONJSA-N 2 1 279.340 1.774 20 5 CDBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000923479832 923867326 /nfs/dbraw/zinc/86/73/26/923867326.db2.gz SWORKLOZHBPMSQ-JTQLQIEISA-N 2 1 250.302 1.161 20 5 CDBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000163251576 356120201 /nfs/dbraw/zinc/12/02/01/356120201.db2.gz RMPQDPDNFNSZKH-AAEUAGOBSA-N 2 1 263.341 1.806 20 5 CDBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957563 359158602 /nfs/dbraw/zinc/15/86/02/359158602.db2.gz ISPDZAUAALZIMK-STQMWFEESA-N 2 1 295.387 1.596 20 5 CDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957563 359158606 /nfs/dbraw/zinc/15/86/06/359158606.db2.gz ISPDZAUAALZIMK-STQMWFEESA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957563 359158608 /nfs/dbraw/zinc/15/86/08/359158608.db2.gz ISPDZAUAALZIMK-STQMWFEESA-N 2 1 295.387 1.596 20 5 CDBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957563 359158612 /nfs/dbraw/zinc/15/86/12/359158612.db2.gz ISPDZAUAALZIMK-STQMWFEESA-N 2 1 295.387 1.596 20 5 CDBDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015688 359276080 /nfs/dbraw/zinc/27/60/80/359276080.db2.gz RIDQYUZINSCMPV-UHFFFAOYSA-N 2 1 260.297 1.890 20 5 CDBDMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168564 360426873 /nfs/dbraw/zinc/42/68/73/360426873.db2.gz UGCLHGDHCKRMPS-GXTWGEPZSA-N 2 1 293.371 1.207 20 5 CDBDMP C[N@H+]1CCC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168564 360426879 /nfs/dbraw/zinc/42/68/79/360426879.db2.gz UGCLHGDHCKRMPS-GXTWGEPZSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168564 360426881 /nfs/dbraw/zinc/42/68/81/360426881.db2.gz UGCLHGDHCKRMPS-GXTWGEPZSA-N 2 1 293.371 1.207 20 5 CDBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168564 360426884 /nfs/dbraw/zinc/42/68/84/360426884.db2.gz UGCLHGDHCKRMPS-GXTWGEPZSA-N 2 1 293.371 1.207 20 5 CDBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000422633554 245143939 /nfs/dbraw/zinc/14/39/39/245143939.db2.gz ILWNRCCFAGBVMT-UTUOFQBUSA-N 2 1 281.360 1.097 20 5 CDBDMP C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430932395 393104089 /nfs/dbraw/zinc/10/40/89/393104089.db2.gz GDMIPOVDMSFGSX-RYUDHWBXSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430932395 393104094 /nfs/dbraw/zinc/10/40/94/393104094.db2.gz GDMIPOVDMSFGSX-RYUDHWBXSA-N 2 1 279.340 1.643 20 5 CDBDMP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094342134 147083116 /nfs/dbraw/zinc/08/31/16/147083116.db2.gz UVCPZJGTJQGMGS-RISCZKNCSA-N 2 1 263.341 1.806 20 5 CDBDMP C[C@@H]1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000223282327 619296982 /nfs/dbraw/zinc/29/69/82/619296982.db2.gz QMBSXWCSJRIZQQ-UXIGCNINSA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000223282327 619296989 /nfs/dbraw/zinc/29/69/89/619296989.db2.gz QMBSXWCSJRIZQQ-UXIGCNINSA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000223282327 619296993 /nfs/dbraw/zinc/29/69/93/619296993.db2.gz QMBSXWCSJRIZQQ-UXIGCNINSA-N 2 1 293.367 1.701 20 5 CDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246458026 948185088 /nfs/dbraw/zinc/18/50/88/948185088.db2.gz QXYNKXCMDVEVTN-CYBMUJFWSA-N 3 1 294.399 1.444 20 5 CDBDMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001246555653 948264005 /nfs/dbraw/zinc/26/40/05/948264005.db2.gz XWGMMFKTMIMDLH-XQQFMLRXSA-N 2 1 255.362 1.635 20 5 CDBDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356571650 969432762 /nfs/dbraw/zinc/43/27/62/969432762.db2.gz WSRROHQNTBXCAK-SWLSCSKDSA-N 2 1 293.367 1.560 20 5 CDBDMP C[C@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726446 342829468 /nfs/dbraw/zinc/82/94/68/342829468.db2.gz HZERAIGWLOXVOX-JQWIXIFHSA-N 2 1 279.340 1.717 20 5 CDBDMP C[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726446 342829469 /nfs/dbraw/zinc/82/94/69/342829469.db2.gz HZERAIGWLOXVOX-JQWIXIFHSA-N 2 1 279.340 1.717 20 5 CDBDMP C[N@@H+](CCOCC[NH3+])CCc1ccc([N+](=O)[O-])cc1 ZINC000600734622 342246113 /nfs/dbraw/zinc/24/61/13/342246113.db2.gz IICRMCKNVLKULJ-UHFFFAOYSA-N 2 1 267.329 1.044 20 5 CDBDMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271836175 191358322 /nfs/dbraw/zinc/35/83/22/191358322.db2.gz PWTVAHHBLOJSDJ-UHFFFAOYSA-N 2 1 291.351 1.955 20 5 CDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422719425 245175421 /nfs/dbraw/zinc/17/54/21/245175421.db2.gz RDDGMNLUCILLRW-ZWNOBZJWSA-N 2 1 279.340 1.820 20 5 CDBDMP Cn1cncc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331999446 374997053 /nfs/dbraw/zinc/99/70/53/374997053.db2.gz OUHVZCRMJSKQGP-UHFFFAOYSA-N 2 1 273.296 1.282 20 5 CDBDMP Cn1cncc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331999446 374997062 /nfs/dbraw/zinc/99/70/62/374997062.db2.gz OUHVZCRMJSKQGP-UHFFFAOYSA-N 2 1 273.296 1.282 20 5 CDBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000442784200 392494681 /nfs/dbraw/zinc/49/46/81/392494681.db2.gz ROLDJPPJWCFCRV-RYUDHWBXSA-N 2 1 279.340 1.643 20 5 CDBDMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000582791220 325045287 /nfs/dbraw/zinc/04/52/87/325045287.db2.gz RHXQKZJAGKMFNA-CQSZACIVSA-N 2 1 281.356 1.040 20 5 CDBDMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000582791220 325045290 /nfs/dbraw/zinc/04/52/90/325045290.db2.gz RHXQKZJAGKMFNA-CQSZACIVSA-N 2 1 281.356 1.040 20 5 CDBDMP COc1ccc(C[C@@H](C)[NH2+]C2(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170327479 1162337685 /nfs/dbraw/zinc/33/76/85/1162337685.db2.gz SBYVBUVRBNDSCV-SNVBAGLBSA-N 2 1 279.340 1.615 20 5 CDBDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158635023 1178226743 /nfs/dbraw/zinc/22/67/43/1178226743.db2.gz SAAKDNZKOGAHKQ-DOMZBBRYSA-N 2 1 293.367 1.560 20 5 CDBDMP