smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164621933 719069888 /nfs/dbraw/zinc/06/98/88/719069888.db2.gz IIZWIDRMMUQNQC-IRXDYDNUSA-N 1 0 386.883 4.052 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164622873 719071124 /nfs/dbraw/zinc/07/11/24/719071124.db2.gz JDWKIGXUGBBZGP-FUHWJXTLSA-N 1 0 386.883 4.052 20 5 GIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4cccc([N+](=O)[O-])n4)CC3)CC2)cc1 ZINC001164758719 721042518 /nfs/dbraw/zinc/04/25/18/721042518.db2.gz AXEOLZUTZDNXGG-UHFFFAOYSA-N 1 0 380.492 4.181 20 5 GIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(F)cc4[N+](=O)[O-])CC3)CC2)cc1 ZINC001164759183 721042845 /nfs/dbraw/zinc/04/28/45/721042845.db2.gz JKCUXRHZKMHMBJ-UHFFFAOYSA-N 1 0 398.482 4.320 20 5 GIBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1 ZINC001165049742 721968151 /nfs/dbraw/zinc/96/81/51/721968151.db2.gz WJKQMBKGTGXREK-CQSZACIVSA-N 1 0 389.887 4.036 20 5 GIBDRO Cn1nc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc21 ZINC000187387043 823054129 /nfs/dbraw/zinc/05/41/29/823054129.db2.gz KAGUEMRJWBIPNE-UHFFFAOYSA-N 1 0 376.416 4.074 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000055910176 823066094 /nfs/dbraw/zinc/06/60/94/823066094.db2.gz JLKWYKLAGISVTH-LJQANCHMSA-N 1 0 383.448 4.078 20 5 GIBDRO CC[C@H](Nc1cccc(NC(=O)C[NH+](CC)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000570709029 823074454 /nfs/dbraw/zinc/07/44/54/823074454.db2.gz YGIYLRKMIZBHIQ-FQEVSTJZSA-N 1 0 384.480 4.438 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000056156797 823091454 /nfs/dbraw/zinc/09/14/54/823091454.db2.gz PSYXVHDMGHRFFS-HOTGVXAUSA-N 1 0 385.464 4.368 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 ZINC000056196908 823100824 /nfs/dbraw/zinc/10/08/24/823100824.db2.gz QFHMVQROUHKEHV-NWDGAFQWSA-N 1 0 392.253 4.035 20 5 GIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000121191132 823135676 /nfs/dbraw/zinc/13/56/76/823135676.db2.gz LUUJXESRQJYYMI-MJGOQNOKSA-N 1 0 397.500 4.073 20 5 GIBDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000121215013 823140225 /nfs/dbraw/zinc/14/02/25/823140225.db2.gz AUZFBEVQUILXBY-OXJNMPFZSA-N 1 0 382.464 4.112 20 5 GIBDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000121215148 823140290 /nfs/dbraw/zinc/14/02/90/823140290.db2.gz AUZFBEVQUILXBY-UZLBHIALSA-N 1 0 382.464 4.112 20 5 GIBDRO COc1ccc(C[NH2+]Cc2cccc(C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121211861 823139667 /nfs/dbraw/zinc/13/96/67/823139667.db2.gz NSOFUDCGPKYAGM-UHFFFAOYSA-N 1 0 393.443 4.176 20 5 GIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000121506096 823196629 /nfs/dbraw/zinc/19/66/29/823196629.db2.gz JFKVNLCUIKEXBQ-CQSZACIVSA-N 1 0 387.867 4.204 20 5 GIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc(Br)c1O ZINC000459464785 823197525 /nfs/dbraw/zinc/19/75/25/823197525.db2.gz MRSVAWYFFVGLIL-NSHDSACASA-N 1 0 395.253 4.312 20 5 GIBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000176407603 823201767 /nfs/dbraw/zinc/20/17/67/823201767.db2.gz WPTBWEJMZPGHAY-INIZCTEOSA-N 1 0 388.512 4.061 20 5 GIBDRO COc1sc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000121682636 823229768 /nfs/dbraw/zinc/22/97/68/823229768.db2.gz MKPDHFIEQOIANW-UHFFFAOYSA-N 1 0 385.283 4.452 20 5 GIBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176580033 823241211 /nfs/dbraw/zinc/24/12/11/823241211.db2.gz OMQHWHXJNMWGFB-HOCLYGCPSA-N 1 0 387.867 4.031 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](c3ccco3)N3CCCC3)o2)cc1 ZINC000409576044 823252950 /nfs/dbraw/zinc/25/29/50/823252950.db2.gz MCEVDIBSSYNGIM-LJQANCHMSA-N 1 0 381.432 4.375 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188509733 823253370 /nfs/dbraw/zinc/25/33/70/823253370.db2.gz MJCQMSIOZVUERS-AEFFLSMTSA-N 1 0 399.457 4.170 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188509779 823253419 /nfs/dbraw/zinc/25/34/19/823253419.db2.gz MJCQMSIOZVUERS-SJLPKXTDSA-N 1 0 399.457 4.170 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000459946804 823273736 /nfs/dbraw/zinc/27/37/36/823273736.db2.gz KCMLOTVDHYGLGD-CHWSQXEVSA-N 1 0 387.402 4.059 20 5 GIBDRO CCCn1nccc1C1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000409659879 823276434 /nfs/dbraw/zinc/27/64/34/823276434.db2.gz OUGLETFEBVXDLR-UHFFFAOYSA-N 1 0 379.464 4.442 20 5 GIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000007828382 817927311 /nfs/dbraw/zinc/92/73/11/817927311.db2.gz PEPUUNIEWQBSQR-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000007945612 817966335 /nfs/dbraw/zinc/96/63/35/817966335.db2.gz UTBQWTYLFHCULW-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000011047047 818047799 /nfs/dbraw/zinc/04/77/99/818047799.db2.gz UNWJSTURQQBKEP-LRDDRELGSA-N 1 0 391.855 4.325 20 5 GIBDRO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000122199494 823320557 /nfs/dbraw/zinc/32/05/57/823320557.db2.gz RETLMQGBSUSIQR-CYBMUJFWSA-N 1 0 381.457 4.273 20 5 GIBDRO CC[NH+]1CCC(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000014523480 818249102 /nfs/dbraw/zinc/24/91/02/818249102.db2.gz QVCNNTBBCNZMJK-UHFFFAOYSA-N 1 0 399.516 4.269 20 5 GIBDRO O=C(CC[N@H+](Cc1ccco1)Cc1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000409894432 823338018 /nfs/dbraw/zinc/33/80/18/823338018.db2.gz CSZIEZQCOCISQF-UHFFFAOYSA-N 1 0 385.445 4.280 20 5 GIBDRO CC1CC[NH+]([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000018180172 818554509 /nfs/dbraw/zinc/55/45/09/818554509.db2.gz QFVZTVCXPXRAEO-KRWDZBQOSA-N 1 0 388.493 4.251 20 5 GIBDRO CCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000021819958 818740010 /nfs/dbraw/zinc/74/00/10/818740010.db2.gz ZWQQTJXWDAGPGH-INIZCTEOSA-N 1 0 392.253 4.037 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(CCc4ccccc4)CC3)o2)cc1 ZINC000022134826 818775380 /nfs/dbraw/zinc/77/53/80/818775380.db2.gz GBPJQHTYAGYAJL-UHFFFAOYSA-N 1 0 392.459 4.490 20 5 GIBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122767941 823409066 /nfs/dbraw/zinc/40/90/66/823409066.db2.gz RSGDTMNHIXEHPG-LIRRHRJNSA-N 1 0 376.478 4.071 20 5 GIBDRO COc1cc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc([N+](=O)[O-])c1C ZINC000189562068 823444655 /nfs/dbraw/zinc/44/46/55/823444655.db2.gz IXKXLESVWHFFPB-UHFFFAOYSA-N 1 0 383.448 4.068 20 5 GIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402585 823454297 /nfs/dbraw/zinc/45/42/97/823454297.db2.gz IIUAZSZSFHJIBL-DLBZAZTESA-N 1 0 388.468 4.060 20 5 GIBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)[NH+]1CCCC1 ZINC000573154135 823456239 /nfs/dbraw/zinc/45/62/39/823456239.db2.gz MQQNYQHOMXMQLD-FQEVSTJZSA-N 1 0 383.448 4.055 20 5 GIBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)[NH+]1CCCC1 ZINC000573154136 823456276 /nfs/dbraw/zinc/45/62/76/823456276.db2.gz MQQNYQHOMXMQLD-HXUWFJFHSA-N 1 0 383.448 4.055 20 5 GIBDRO CC(C)[NH+](CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(C)C ZINC000027456645 820246833 /nfs/dbraw/zinc/24/68/33/820246833.db2.gz YTRWKZABCHECNU-UHFFFAOYSA-N 1 0 398.507 4.056 20 5 GIBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000028795769 820358802 /nfs/dbraw/zinc/35/88/02/820358802.db2.gz YRMWRTTWFNQZCZ-QGZVFWFLSA-N 1 0 390.428 4.170 20 5 GIBDRO Cc1cncc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000123230633 823481959 /nfs/dbraw/zinc/48/19/59/823481959.db2.gz KDSWXQQJMVNSBU-UHFFFAOYSA-N 1 0 399.454 4.441 20 5 GIBDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000573360420 823484316 /nfs/dbraw/zinc/48/43/16/823484316.db2.gz LONAUTFMQAVDAJ-HNNXBMFYSA-N 1 0 389.459 4.464 20 5 GIBDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000573360422 823484364 /nfs/dbraw/zinc/48/43/64/823484364.db2.gz LONAUTFMQAVDAJ-OAHLLOKOSA-N 1 0 389.459 4.464 20 5 GIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000059060708 823485358 /nfs/dbraw/zinc/48/53/58/823485358.db2.gz MJZMYBKZYGAFKG-GJZGRUSLSA-N 1 0 387.505 4.064 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000059286423 823489630 /nfs/dbraw/zinc/48/96/30/823489630.db2.gz KBBJNNUFNOJKJP-CALCHBBNSA-N 1 0 395.503 4.311 20 5 GIBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000030224118 820589846 /nfs/dbraw/zinc/58/98/46/820589846.db2.gz AWYBIGFXVUEOHR-INIZCTEOSA-N 1 0 389.477 4.003 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000460732217 823498513 /nfs/dbraw/zinc/49/85/13/823498513.db2.gz FKECXZPPLPUGRL-QGZVFWFLSA-N 1 0 381.476 4.065 20 5 GIBDRO C[N@H+](Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000059888529 823501772 /nfs/dbraw/zinc/50/17/72/823501772.db2.gz VDNFKHUUDZXDJC-UHFFFAOYSA-N 1 0 381.476 4.289 20 5 GIBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000032730554 820998562 /nfs/dbraw/zinc/99/85/62/820998562.db2.gz QKPKJIGQMGBKGJ-LJQANCHMSA-N 1 0 387.455 4.064 20 5 GIBDRO CC(C)c1ccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000190025616 823527742 /nfs/dbraw/zinc/52/77/42/823527742.db2.gz ILFZPWXFOQMSBK-UHFFFAOYSA-N 1 0 395.503 4.455 20 5 GIBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190026289 823527945 /nfs/dbraw/zinc/52/79/45/823527945.db2.gz DHDGXSZUKOAIIL-AEFFLSMTSA-N 1 0 375.494 4.446 20 5 GIBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC1CCCCC1 ZINC000060495413 823534525 /nfs/dbraw/zinc/53/45/25/823534525.db2.gz MGNCBTZUKRHBTK-UHFFFAOYSA-N 1 0 377.485 4.224 20 5 GIBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342954 821395639 /nfs/dbraw/zinc/39/56/39/821395639.db2.gz CUXUDVLIXYKRKH-OAHLLOKOSA-N 1 0 394.884 4.268 20 5 GIBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870738 821504990 /nfs/dbraw/zinc/50/49/90/821504990.db2.gz IXDJVBWLPBIFBY-DZGCQCFKSA-N 1 0 376.840 4.243 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180902614 821526021 /nfs/dbraw/zinc/52/60/21/821526021.db2.gz FBBUYBFMOBKDJY-INIZCTEOSA-N 1 0 390.443 4.255 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000181235289 821711820 /nfs/dbraw/zinc/71/18/20/821711820.db2.gz YVUAIRRXTFPLSS-CHWSQXEVSA-N 1 0 376.844 4.020 20 5 GIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000181757874 821979239 /nfs/dbraw/zinc/97/92/39/821979239.db2.gz LYUXXUIHRZTYIS-CYBMUJFWSA-N 1 0 383.404 4.029 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000177968797 822261905 /nfs/dbraw/zinc/26/19/05/822261905.db2.gz RCYFCACMYRDYSC-HSZRJFAPSA-N 1 0 393.531 4.213 20 5 GIBDRO CCOc1ccc(C2(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000178649790 822399390 /nfs/dbraw/zinc/39/93/90/822399390.db2.gz ZWIFHZZMELMLEX-KRWDZBQOSA-N 1 0 384.476 4.393 20 5 GIBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178657021 822400313 /nfs/dbraw/zinc/40/03/13/822400313.db2.gz ZUOZNFPZCZWYOS-DZGCQCFKSA-N 1 0 377.391 4.126 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000178682176 822402504 /nfs/dbraw/zinc/40/25/04/822402504.db2.gz SPZWYTNGHOHARV-CABCVRRESA-N 1 0 378.432 4.129 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1[N+](=O)[O-] ZINC000178686509 822403000 /nfs/dbraw/zinc/40/30/00/822403000.db2.gz GMPBWUDEMHUXOO-CQSZACIVSA-N 1 0 378.428 4.349 20 5 GIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000045790116 822413919 /nfs/dbraw/zinc/41/39/19/822413919.db2.gz BXGQYVHVUHJBKG-UHFFFAOYSA-N 1 0 390.871 4.410 20 5 GIBDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178870553 822417882 /nfs/dbraw/zinc/41/78/82/822417882.db2.gz YQJRDBSUGRSUAC-NRFANRHFSA-N 1 0 377.444 4.207 20 5 GIBDRO CSc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)[NH+](C)C)cc1 ZINC000454140961 822432782 /nfs/dbraw/zinc/43/27/82/822432782.db2.gz FVNYYYLULUDJPU-GOSISDBHSA-N 1 0 388.493 4.050 20 5 GIBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000183221679 822443730 /nfs/dbraw/zinc/44/37/30/822443730.db2.gz CUIRYZOBKVPVAD-CYBMUJFWSA-N 1 0 375.494 4.136 20 5 GIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000179360477 822471018 /nfs/dbraw/zinc/47/10/18/822471018.db2.gz RIXACBNNOABHSS-OAQYLSRUSA-N 1 0 376.460 4.471 20 5 GIBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(-c2ccccc2)no1 ZINC000179477499 822488038 /nfs/dbraw/zinc/48/80/38/822488038.db2.gz ZBDDLQDGIQEOMF-KXBFYZLASA-N 1 0 392.459 4.359 20 5 GIBDRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000046599319 822490306 /nfs/dbraw/zinc/49/03/06/822490306.db2.gz OPKSHISFUPKTIX-UHFFFAOYSA-N 1 0 382.247 4.362 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183581825 822497528 /nfs/dbraw/zinc/49/75/28/822497528.db2.gz BDHRJAJBMVWEES-MRXNPFEDSA-N 1 0 380.448 4.419 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c(Cl)c1 ZINC000183768965 822525700 /nfs/dbraw/zinc/52/57/00/822525700.db2.gz BWDFWQYWQORCAT-UHFFFAOYSA-N 1 0 393.230 4.284 20 5 GIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047187689 822552462 /nfs/dbraw/zinc/55/24/62/822552462.db2.gz LFXGMTIIQGLAPS-CQSZACIVSA-N 1 0 375.494 4.194 20 5 GIBDRO C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184011326 822563587 /nfs/dbraw/zinc/56/35/87/822563587.db2.gz VPNKMHCJBCNZBZ-CVEARBPZSA-N 1 0 399.466 4.179 20 5 GIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179926406 822578338 /nfs/dbraw/zinc/57/83/38/822578338.db2.gz DMRFNUOKVQFSOL-CYBMUJFWSA-N 1 0 385.395 4.291 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184364588 822622667 /nfs/dbraw/zinc/62/26/67/822622667.db2.gz FMGXRVTYRPNRDR-LBPRGKRZSA-N 1 0 385.445 4.107 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184383504 822625790 /nfs/dbraw/zinc/62/57/90/822625790.db2.gz HFNMHPJAUHPDAM-STQMWFEESA-N 1 0 399.472 4.496 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184383559 822625832 /nfs/dbraw/zinc/62/58/32/822625832.db2.gz HFNMHPJAUHPDAM-CHWSQXEVSA-N 1 0 399.472 4.496 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000180155003 822628467 /nfs/dbraw/zinc/62/84/67/822628467.db2.gz XVWXTNNYWBIJJX-KXBFYZLASA-N 1 0 393.409 4.158 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000184522564 822650409 /nfs/dbraw/zinc/65/04/09/822650409.db2.gz XBMSBRSNHIANHU-AWEZNQCLSA-N 1 0 396.472 4.398 20 5 GIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000180407932 822676680 /nfs/dbraw/zinc/67/66/80/822676680.db2.gz JKDNAKWMBWIMAF-QGZVFWFLSA-N 1 0 381.476 4.380 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000180416837 822678091 /nfs/dbraw/zinc/67/80/91/822678091.db2.gz CUGQMJBOEVFGOP-MRXNPFEDSA-N 1 0 377.238 4.361 20 5 GIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180418962 822678490 /nfs/dbraw/zinc/67/84/90/822678490.db2.gz NHXLJCCTFSKKOV-JTQLQIEISA-N 1 0 399.781 4.139 20 5 GIBDRO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)c1ccsc1 ZINC000049657394 822705019 /nfs/dbraw/zinc/70/50/19/822705019.db2.gz LRONLMGGIRAHOF-HXUWFJFHSA-N 1 0 375.497 4.482 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184882007 822706385 /nfs/dbraw/zinc/70/63/85/822706385.db2.gz CPLTVDZMVAGTOC-HUUCEWRRSA-N 1 0 394.431 4.236 20 5 GIBDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000184930460 822714921 /nfs/dbraw/zinc/71/49/21/822714921.db2.gz YRGBJHMTWQNXKA-MRXNPFEDSA-N 1 0 399.466 4.140 20 5 GIBDRO Cc1sc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)nc1-c1ccc(Cl)cc1 ZINC000184945056 822716720 /nfs/dbraw/zinc/71/67/20/822716720.db2.gz ROXRFMMHACCVSF-LLVKDONJSA-N 1 0 391.884 4.227 20 5 GIBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000051066925 822745888 /nfs/dbraw/zinc/74/58/88/822745888.db2.gz QBBFQUSTESJIRK-UHFFFAOYSA-N 1 0 395.484 4.315 20 5 GIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000185433316 822783282 /nfs/dbraw/zinc/78/32/82/822783282.db2.gz OLZFUFKXMUOZIY-SFHVURJKSA-N 1 0 387.524 4.077 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CCC(O)(c4cccnc4)CC3)o2)c1 ZINC000185704352 822812146 /nfs/dbraw/zinc/81/21/46/822812146.db2.gz MISIRUKREBTLAI-UHFFFAOYSA-N 1 0 393.443 4.170 20 5 GIBDRO CCC[C@@H]([NH2+]C[C@@]1(COC)OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569055406 822874686 /nfs/dbraw/zinc/87/46/86/822874686.db2.gz DWVPGJFRUHXJIC-YADHBBJMSA-N 1 0 384.476 4.140 20 5 GIBDRO Cc1c(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000569158324 822885588 /nfs/dbraw/zinc/88/55/88/822885588.db2.gz TVBWUKWSMLVXHM-IBGZPJMESA-N 1 0 396.491 4.327 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186443553 822896596 /nfs/dbraw/zinc/89/65/96/822896596.db2.gz NOJUUNHZBWADOB-QFIPXVFZSA-N 1 0 376.412 4.486 20 5 GIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186633550 822926727 /nfs/dbraw/zinc/92/67/27/822926727.db2.gz JQFZUZOPQMUZAW-YCRPNKLZSA-N 1 0 382.439 4.168 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)cs1 ZINC000055055665 822935618 /nfs/dbraw/zinc/93/56/18/822935618.db2.gz DPVQPRLUCKBCFH-UHFFFAOYSA-N 1 0 397.294 4.214 20 5 GIBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C1 ZINC000570194764 823014030 /nfs/dbraw/zinc/01/40/30/823014030.db2.gz CPOPTNJCUOWPPY-VDGAXYAQSA-N 1 0 399.516 4.060 20 5 GIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnn(Cc2ccccc2)c1 ZINC000570197164 823014390 /nfs/dbraw/zinc/01/43/90/823014390.db2.gz UQBXRSUSTJMBES-MRXNPFEDSA-N 1 0 389.459 4.214 20 5 GIBDRO Cc1ccc(-c2noc([C@H](C)N[C@@H]3CCc4c3cccc4[N+](=O)[O-])n2)cc1F ZINC000570463003 823041209 /nfs/dbraw/zinc/04/12/09/823041209.db2.gz OCOWQDZMAMSMRH-YVEFUNNKSA-N 1 0 382.395 4.430 20 5 GIBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000187324379 823043672 /nfs/dbraw/zinc/04/36/72/823043672.db2.gz RARFERPVRFKVNV-QGZVFWFLSA-N 1 0 389.883 4.135 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000411297387 823562856 /nfs/dbraw/zinc/56/28/56/823562856.db2.gz SZTJNVVEAHDNHE-QGZVFWFLSA-N 1 0 387.436 4.142 20 5 GIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)cc1 ZINC000411295976 823562908 /nfs/dbraw/zinc/56/29/08/823562908.db2.gz KFEUVHCPOLTCOB-UHFFFAOYSA-N 1 0 397.406 4.432 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1 ZINC000461040045 823563904 /nfs/dbraw/zinc/56/39/04/823563904.db2.gz ACLHLYMROQFTER-QGZVFWFLSA-N 1 0 381.476 4.297 20 5 GIBDRO CCC(CC)(CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1 ZINC000461050091 823565705 /nfs/dbraw/zinc/56/57/05/823565705.db2.gz UAYPNILYKTZJFE-KRWDZBQOSA-N 1 0 383.492 4.163 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000061003054 823572198 /nfs/dbraw/zinc/57/21/98/823572198.db2.gz CSLDQWUHOLCIRH-UHFFFAOYSA-N 1 0 386.839 4.417 20 5 GIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061014272 823572815 /nfs/dbraw/zinc/57/28/15/823572815.db2.gz WIOUDHIMRLYLRZ-INIZCTEOSA-N 1 0 393.443 4.428 20 5 GIBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000461259355 823606789 /nfs/dbraw/zinc/60/67/89/823606789.db2.gz BTMGCRZMQIMKOG-LJQANCHMSA-N 1 0 396.491 4.285 20 5 GIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412130384 823628733 /nfs/dbraw/zinc/62/87/33/823628733.db2.gz KNUZNMBROLNSFY-URZJWIJPSA-N 1 0 393.487 4.040 20 5 GIBDRO O=[N+]([O-])c1c(NCC2CC[NH+](Cc3ccccc3)CC2)ccc2ncccc21 ZINC000063255626 823657399 /nfs/dbraw/zinc/65/73/99/823657399.db2.gz XZSWYJXTKAUPGC-UHFFFAOYSA-N 1 0 376.460 4.467 20 5 GIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000191369907 823677695 /nfs/dbraw/zinc/67/76/95/823677695.db2.gz VKZUXBLWZSURGX-STQMWFEESA-N 1 0 383.404 4.027 20 5 GIBDRO C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000461667244 823677877 /nfs/dbraw/zinc/67/78/77/823677877.db2.gz PPQRPUWRIUFSFI-OAHLLOKOSA-N 1 0 384.480 4.045 20 5 GIBDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000191634482 823720610 /nfs/dbraw/zinc/72/06/10/823720610.db2.gz OXUVYNLCDTZVAZ-UHFFFAOYSA-N 1 0 394.431 4.033 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3ccccc3)CC3CCC3)o2)cc1 ZINC000125843049 823726223 /nfs/dbraw/zinc/72/62/23/823726223.db2.gz ZEEOSSAYXUXTDX-UHFFFAOYSA-N 1 0 378.432 4.447 20 5 GIBDRO C[C@](O)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000191674799 823729297 /nfs/dbraw/zinc/72/92/97/823729297.db2.gz JLTTYYIYAHPJIA-IBGZPJMESA-N 1 0 375.494 4.139 20 5 GIBDRO Cc1cc(NC2CC[NH+](Cc3cccnc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461961762 823773190 /nfs/dbraw/zinc/77/31/90/823773190.db2.gz ZAEKNALRYMQGAB-UHFFFAOYSA-N 1 0 394.397 4.394 20 5 GIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)N(C)C ZINC000165689789 823858895 /nfs/dbraw/zinc/85/88/95/823858895.db2.gz LCLQGTOHWQXQBM-QFBILLFUSA-N 1 0 399.491 4.172 20 5 GIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000064726231 823872547 /nfs/dbraw/zinc/87/25/47/823872547.db2.gz YZZXWCLQFDJLNV-VBQJREDUSA-N 1 0 387.505 4.287 20 5 GIBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000575045545 823899064 /nfs/dbraw/zinc/89/90/64/823899064.db2.gz JEWOJHOCVVZRPW-MRXNPFEDSA-N 1 0 389.883 4.472 20 5 GIBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1COc2ccccc21 ZINC000169074828 823907818 /nfs/dbraw/zinc/90/78/18/823907818.db2.gz YWLZHHRCVAQHEN-FZKQIMNGSA-N 1 0 381.457 4.373 20 5 GIBDRO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1COc2ccccc21 ZINC000169074570 823907886 /nfs/dbraw/zinc/90/78/86/823907886.db2.gz YWLZHHRCVAQHEN-UGSOOPFHSA-N 1 0 381.457 4.373 20 5 GIBDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000414212285 823930196 /nfs/dbraw/zinc/93/01/96/823930196.db2.gz QUMMEAXCNLRGOE-GOSISDBHSA-N 1 0 396.896 4.283 20 5 GIBDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000126790051 823952124 /nfs/dbraw/zinc/95/21/24/823952124.db2.gz SGIKMYJQGLERHN-MRXNPFEDSA-N 1 0 399.491 4.228 20 5 GIBDRO COc1ccc(C[NH2+][C@@H]2CS[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414495475 823995437 /nfs/dbraw/zinc/99/54/37/823995437.db2.gz BPGCKNDTWAJGJL-YOEHRIQHSA-N 1 0 388.489 4.166 20 5 GIBDRO COc1cc(C[NH2+]C[C@H]2CCSC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000575827159 824005012 /nfs/dbraw/zinc/00/50/12/824005012.db2.gz LTUKJDYCXKKGLR-MRXNPFEDSA-N 1 0 388.489 4.025 20 5 GIBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000414553339 824010876 /nfs/dbraw/zinc/01/08/76/824010876.db2.gz QYODPJLNLCDPFZ-MRXNPFEDSA-N 1 0 399.516 4.300 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccnc3-n3ccnc3)s2)cc1 ZINC000171049717 824047382 /nfs/dbraw/zinc/04/73/82/824047382.db2.gz RUBMNTNDMBQBPF-UHFFFAOYSA-N 1 0 391.456 4.194 20 5 GIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000071954850 205299701 /nfs/dbraw/zinc/29/97/01/205299701.db2.gz HZBSBVGNMNMHSO-CQSZACIVSA-N 1 0 385.493 4.148 20 5 GIBDRO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730503 720355860 /nfs/dbraw/zinc/35/58/60/720355860.db2.gz ZTUAZIUJYYCRDA-SFTDATJTSA-N 1 0 381.483 4.031 20 5 GIBDRO Cc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165050176 721976568 /nfs/dbraw/zinc/97/65/68/721976568.db2.gz VKYQQVQNTQFKKE-LJQANCHMSA-N 1 0 395.507 4.205 20 5 GIBDRO O=[N+]([O-])c1ccccc1/C=C\c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000570559809 823054542 /nfs/dbraw/zinc/05/45/42/823054542.db2.gz LVOKCPMPZIRTDT-QXMHVHEDSA-N 1 0 376.416 4.411 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br ZINC000056196191 823100817 /nfs/dbraw/zinc/10/08/17/823100817.db2.gz LDTJVAFADGOVOL-VXGBXAGGSA-N 1 0 392.253 4.035 20 5 GIBDRO Cc1nn(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121097834 823117833 /nfs/dbraw/zinc/11/78/33/823117833.db2.gz LUKWFDLFDWULFV-OAHLLOKOSA-N 1 0 391.431 4.231 20 5 GIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(Br)s1 ZINC000571084679 823129531 /nfs/dbraw/zinc/12/95/31/823129531.db2.gz XVKFWALMQISIQI-SECBINFHSA-N 1 0 395.282 4.188 20 5 GIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000121322102 823162939 /nfs/dbraw/zinc/16/29/39/823162939.db2.gz KNVGGSOQSHXMFR-HNNXBMFYSA-N 1 0 385.439 4.038 20 5 GIBDRO O=C(CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)N1CCCC1 ZINC000121521978 823199392 /nfs/dbraw/zinc/19/93/92/823199392.db2.gz FOESXPHQMKFNRJ-UHFFFAOYSA-N 1 0 397.475 4.079 20 5 GIBDRO COCC1(C)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000459624837 823231707 /nfs/dbraw/zinc/23/17/07/823231707.db2.gz VEJVNKGKPYNFRE-UHFFFAOYSA-N 1 0 395.253 4.086 20 5 GIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459646804 823237822 /nfs/dbraw/zinc/23/78/22/823237822.db2.gz SRAYVABCGITPNM-CABCVRRESA-N 1 0 381.436 4.102 20 5 GIBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176579980 823241243 /nfs/dbraw/zinc/24/12/43/823241243.db2.gz OMQHWHXJNMWGFB-GDBMZVCRSA-N 1 0 387.867 4.031 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000571845098 823244546 /nfs/dbraw/zinc/24/45/46/823244546.db2.gz UMBIUNYDVVTSOB-KRWDZBQOSA-N 1 0 396.491 4.286 20 5 GIBDRO O=C(CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121947220 823282911 /nfs/dbraw/zinc/28/29/11/823282911.db2.gz MRWPYIHPJGPAMX-KRWDZBQOSA-N 1 0 396.472 4.370 20 5 GIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176746899 823283355 /nfs/dbraw/zinc/28/33/55/823283355.db2.gz OQQKTHCDFFMHQD-KRWDZBQOSA-N 1 0 398.507 4.258 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1 ZINC000188800182 823308291 /nfs/dbraw/zinc/30/82/91/823308291.db2.gz HZXXSOLYVXASTF-GOEBONIOSA-N 1 0 376.840 4.291 20 5 GIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015499711 818330585 /nfs/dbraw/zinc/33/05/85/818330585.db2.gz DHSYQDXQWLXUSP-OLZOCXBDSA-N 1 0 391.855 4.243 20 5 GIBDRO O=C(CC[N@H+](Cc1ccco1)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000409877438 823333621 /nfs/dbraw/zinc/33/36/21/823333621.db2.gz CLLGLJAGAXBTHH-UHFFFAOYSA-N 1 0 379.416 4.219 20 5 GIBDRO CCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000021819956 818739858 /nfs/dbraw/zinc/73/98/58/818739858.db2.gz ZWQQTJXWDAGPGH-MRXNPFEDSA-N 1 0 392.253 4.037 20 5 GIBDRO CC(C)[NH+]1CCC(N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000024208317 819034149 /nfs/dbraw/zinc/03/41/49/819034149.db2.gz PHTIZFWHIIFGMX-UHFFFAOYSA-N 1 0 381.476 4.135 20 5 GIBDRO C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025215372 819944069 /nfs/dbraw/zinc/94/40/69/819944069.db2.gz DRWRDLPFMHJXHZ-MEDUHNTESA-N 1 0 391.880 4.402 20 5 GIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000573056430 823441587 /nfs/dbraw/zinc/44/15/87/823441587.db2.gz DONYGJBKWWLWRR-SNVBAGLBSA-N 1 0 384.661 4.299 20 5 GIBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccc(Cl)s1 ZINC000026250447 820074844 /nfs/dbraw/zinc/07/48/44/820074844.db2.gz KCTGYSXFTNWVEN-UHFFFAOYSA-N 1 0 397.884 4.169 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)o1 ZINC000189608918 823457315 /nfs/dbraw/zinc/45/73/15/823457315.db2.gz RZHKLMDTHSKIFH-SCLBCKFNSA-N 1 0 398.381 4.428 20 5 GIBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000028795768 820358913 /nfs/dbraw/zinc/35/89/13/820358913.db2.gz YRMWRTTWFNQZCZ-KRWDZBQOSA-N 1 0 390.428 4.170 20 5 GIBDRO Cc1c(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000410370955 823478399 /nfs/dbraw/zinc/47/83/99/823478399.db2.gz DYADXRZEUBWQFT-INIZCTEOSA-N 1 0 396.491 4.457 20 5 GIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000059060707 823485291 /nfs/dbraw/zinc/48/52/91/823485291.db2.gz MJZMYBKZYGAFKG-GASCZTMLSA-N 1 0 387.505 4.064 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000059286430 823489653 /nfs/dbraw/zinc/48/96/53/823489653.db2.gz KBBJNNUFNOJKJP-IAGOWNOFSA-N 1 0 395.503 4.311 20 5 GIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000030224119 820589693 /nfs/dbraw/zinc/58/96/93/820589693.db2.gz AWYBIGFXVUEOHR-MRXNPFEDSA-N 1 0 389.477 4.003 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000123292087 823491704 /nfs/dbraw/zinc/49/17/04/823491704.db2.gz AVYXRVOJWOOLLU-MIGBEJBISA-N 1 0 389.496 4.484 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000059410384 823495771 /nfs/dbraw/zinc/49/57/71/823495771.db2.gz PMKZHIZTYVRJDE-IRXDYDNUSA-N 1 0 395.503 4.311 20 5 GIBDRO CCO[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000177583421 823496351 /nfs/dbraw/zinc/49/63/51/823496351.db2.gz IOFQYDGPZLQJMX-FQEVSTJZSA-N 1 0 386.496 4.070 20 5 GIBDRO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000123562904 823521634 /nfs/dbraw/zinc/52/16/34/823521634.db2.gz JWXZBVPLBLXDDG-UHFFFAOYSA-N 1 0 387.505 4.014 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000190039962 823529718 /nfs/dbraw/zinc/52/97/18/823529718.db2.gz XMNBHTZEVKCSGL-UONOGXRCSA-N 1 0 384.411 4.456 20 5 GIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000043270768 821384677 /nfs/dbraw/zinc/38/46/77/821384677.db2.gz CJYGLWITPSRRGK-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000043303419 821388524 /nfs/dbraw/zinc/38/85/24/821388524.db2.gz GIWURZJCACGEAD-HUUCEWRRSA-N 1 0 393.443 4.434 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000180924913 821541084 /nfs/dbraw/zinc/54/10/84/821541084.db2.gz COCJXKIVBRHKKR-JKSUJKDBSA-N 1 0 390.443 4.335 20 5 GIBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)nc2c1 ZINC000181150835 821665607 /nfs/dbraw/zinc/66/56/07/821665607.db2.gz HCFFBVTWWCWSPG-AWEZNQCLSA-N 1 0 391.431 4.300 20 5 GIBDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181234489 821711140 /nfs/dbraw/zinc/71/11/40/821711140.db2.gz RJZQHHXFQBAWRK-CABCVRRESA-N 1 0 391.493 4.077 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181298503 821742859 /nfs/dbraw/zinc/74/28/59/821742859.db2.gz ZFJJVEQJSJVUFZ-INIZCTEOSA-N 1 0 390.443 4.255 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181388523 821800506 /nfs/dbraw/zinc/80/05/06/821800506.db2.gz MZZCHBWWZGRFPZ-SJCJKPOMSA-N 1 0 379.254 4.050 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000181554343 821879088 /nfs/dbraw/zinc/87/90/88/821879088.db2.gz XWRCFGFBIWOSQI-VQIMIIECSA-N 1 0 386.492 4.446 20 5 GIBDRO CCC[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181799492 821997608 /nfs/dbraw/zinc/99/76/08/821997608.db2.gz XIFWXZPPOANFGL-RXVVDRJESA-N 1 0 381.476 4.074 20 5 GIBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000181808762 822001662 /nfs/dbraw/zinc/00/16/62/822001662.db2.gz DYQAHSQDPBLJMQ-HNNXBMFYSA-N 1 0 391.427 4.337 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181867977 822021278 /nfs/dbraw/zinc/02/12/78/822021278.db2.gz QBDNSZLEQQIHGF-QGZVFWFLSA-N 1 0 396.491 4.183 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000181938648 822040477 /nfs/dbraw/zinc/04/04/77/822040477.db2.gz MLRYXGQYIZHIHF-UYAOXDASSA-N 1 0 399.516 4.271 20 5 GIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000182159248 822123034 /nfs/dbraw/zinc/12/30/34/822123034.db2.gz USTRFLTZCHCREO-PXNSSMCTSA-N 1 0 395.459 4.043 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000182521208 822280949 /nfs/dbraw/zinc/28/09/49/822280949.db2.gz UGPQNSMOOQVBPK-LBPRGKRZSA-N 1 0 397.353 4.173 20 5 GIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000178168035 822339264 /nfs/dbraw/zinc/33/92/64/822339264.db2.gz IJYSGHHVCSFTOC-OAHLLOKOSA-N 1 0 392.253 4.037 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000178682205 822402414 /nfs/dbraw/zinc/40/24/14/822402414.db2.gz SPZWYTNGHOHARV-HUUCEWRRSA-N 1 0 378.432 4.129 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000178683457 822402635 /nfs/dbraw/zinc/40/26/35/822402635.db2.gz MSNNWIGDEYYWPB-RYUDHWBXSA-N 1 0 379.819 4.374 20 5 GIBDRO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000183210808 822442058 /nfs/dbraw/zinc/44/20/58/822442058.db2.gz WXFNPEHNVKTEEW-HNNXBMFYSA-N 1 0 385.439 4.114 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000183450288 822476763 /nfs/dbraw/zinc/47/67/63/822476763.db2.gz CLOYPLKXVKLJST-UHFFFAOYSA-N 1 0 393.443 4.046 20 5 GIBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(-c2ccccc2)no1 ZINC000179477533 822488165 /nfs/dbraw/zinc/48/81/65/822488165.db2.gz ZBDDLQDGIQEOMF-DNVCBOLYSA-N 1 0 392.459 4.359 20 5 GIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC(F)F)c1 ZINC000179574738 822505671 /nfs/dbraw/zinc/50/56/71/822505671.db2.gz RTAUJADAVIAHNQ-JTQLQIEISA-N 1 0 399.781 4.139 20 5 GIBDRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179667223 822523427 /nfs/dbraw/zinc/52/34/27/822523427.db2.gz ONIRWPJGPXGHOO-UHFFFAOYSA-N 1 0 380.231 4.119 20 5 GIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262091 822559617 /nfs/dbraw/zinc/55/96/17/822559617.db2.gz PQVUIXUONFXIOP-HIFRSBDPSA-N 1 0 388.855 4.055 20 5 GIBDRO O=C1CCCCCN1CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179990720 822592000 /nfs/dbraw/zinc/59/20/00/822592000.db2.gz FBDYLKSRZOALDH-JOCHJYFZSA-N 1 0 381.476 4.067 20 5 GIBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])cc1F ZINC000184240295 822601305 /nfs/dbraw/zinc/60/13/05/822601305.db2.gz BBIQVSIWSHRURG-CYBMUJFWSA-N 1 0 385.395 4.263 20 5 GIBDRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2c1 ZINC000184330601 822616233 /nfs/dbraw/zinc/61/62/33/822616233.db2.gz OPLOKZSHIKCWGY-CQSZACIVSA-N 1 0 397.431 4.256 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184486418 822644107 /nfs/dbraw/zinc/64/41/07/822644107.db2.gz HITXLZMWWVFEAP-ZDUSSCGKSA-N 1 0 390.509 4.337 20 5 GIBDRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180423006 822679059 /nfs/dbraw/zinc/67/90/59/822679059.db2.gz ZCASJQQWVULZFN-UONOGXRCSA-N 1 0 375.856 4.118 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000180440764 822682557 /nfs/dbraw/zinc/68/25/57/822682557.db2.gz LCQZZYXOMIUGMR-CABCVRRESA-N 1 0 381.432 4.211 20 5 GIBDRO Cc1cnc([C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)s1 ZINC000185297222 822761506 /nfs/dbraw/zinc/76/15/06/822761506.db2.gz NYHRFEIOALZNLP-GOSISDBHSA-N 1 0 384.461 4.298 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000185396796 822778416 /nfs/dbraw/zinc/77/84/16/822778416.db2.gz KABXVRNWGRVLQN-GFCCVEGCSA-N 1 0 383.835 4.351 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)ccc21 ZINC000456284842 822794238 /nfs/dbraw/zinc/79/42/38/822794238.db2.gz UJKAVWGLRKOOSU-HNNXBMFYSA-N 1 0 393.365 4.415 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724579 822814677 /nfs/dbraw/zinc/81/46/77/822814677.db2.gz QFOKUKOEQSSNPU-IAGOWNOFSA-N 1 0 375.513 4.125 20 5 GIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000185844551 822826875 /nfs/dbraw/zinc/82/68/75/822826875.db2.gz JCDUXDASABEQSB-LSDHHAIUSA-N 1 0 387.455 4.083 20 5 GIBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186044583 822846697 /nfs/dbraw/zinc/84/66/97/822846697.db2.gz BUAFKALONSJYBW-OAQYLSRUSA-N 1 0 378.432 4.242 20 5 GIBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc2ccccc2c2cccnc12 ZINC000053991262 822855942 /nfs/dbraw/zinc/85/59/42/822855942.db2.gz ROOSYMNZTCLCCB-UHFFFAOYSA-N 1 0 396.494 4.177 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(c4nccs4)CCCC3)o2)c1 ZINC000175013253 822867359 /nfs/dbraw/zinc/86/73/59/822867359.db2.gz PMKAZPWLFRNIMF-UHFFFAOYSA-N 1 0 384.461 4.308 20 5 GIBDRO CSc1cccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000186884508 822974411 /nfs/dbraw/zinc/97/44/11/822974411.db2.gz MTMSHZIHEXSCIP-UHFFFAOYSA-N 1 0 391.537 4.090 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000123870479 823547865 /nfs/dbraw/zinc/54/78/65/823547865.db2.gz AWVCLMANMYAYFQ-UHFFFAOYSA-N 1 0 399.516 4.101 20 5 GIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1[N+](=O)[O-] ZINC000124160792 823573255 /nfs/dbraw/zinc/57/32/55/823573255.db2.gz IJYARAJZOQOGIC-SFHVURJKSA-N 1 0 397.523 4.416 20 5 GIBDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411756290 823602741 /nfs/dbraw/zinc/60/27/41/823602741.db2.gz IPSJRCWYBQIKNA-UHFFFAOYSA-N 1 0 391.855 4.110 20 5 GIBDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412061470 823625086 /nfs/dbraw/zinc/62/50/86/823625086.db2.gz HROYBEPGCHRYAN-AWEZNQCLSA-N 1 0 389.452 4.070 20 5 GIBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000125452963 823677379 /nfs/dbraw/zinc/67/73/79/823677379.db2.gz JHZAKUSZEYZKAT-MRXNPFEDSA-N 1 0 389.883 4.424 20 5 GIBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413142897 823714695 /nfs/dbraw/zinc/71/46/95/823714695.db2.gz OGUWFPIBNDEJMK-KGLIPLIRSA-N 1 0 386.418 4.099 20 5 GIBDRO C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125939912 823749190 /nfs/dbraw/zinc/74/91/90/823749190.db2.gz YGFZOZNNGQWXTH-BFUOFWGJSA-N 1 0 381.457 4.201 20 5 GIBDRO COc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000164375688 823798949 /nfs/dbraw/zinc/79/89/49/823798949.db2.gz GUVQTHONMYHEFR-FQEVSTJZSA-N 1 0 383.448 4.078 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000165002392 823829347 /nfs/dbraw/zinc/82/93/47/823829347.db2.gz CVIVMNLWCFDXIB-INIZCTEOSA-N 1 0 393.443 4.277 20 5 GIBDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cccc([N+](=O)[O-])c1 ZINC000165015965 823830455 /nfs/dbraw/zinc/83/04/55/823830455.db2.gz QCRRTDHJGWILQV-OAQYLSRUSA-N 1 0 393.443 4.359 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000165353353 823844944 /nfs/dbraw/zinc/84/49/44/823844944.db2.gz UTUINROEFOXTST-JOCHJYFZSA-N 1 0 397.494 4.309 20 5 GIBDRO Cc1ccccc1[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000126429376 823865141 /nfs/dbraw/zinc/86/51/41/823865141.db2.gz BLHFMINBUADDLY-NRFANRHFSA-N 1 0 393.443 4.174 20 5 GIBDRO COCC[C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414482032 823992641 /nfs/dbraw/zinc/99/26/41/823992641.db2.gz MFGLCVDSMRVQKZ-KRWDZBQOSA-N 1 0 394.475 4.210 20 5 GIBDRO CC(C)c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000414537725 824005459 /nfs/dbraw/zinc/00/54/59/824005459.db2.gz LMPYUKOPAOZKSR-QFIPXVFZSA-N 1 0 398.503 4.338 20 5 GIBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414595974 824017246 /nfs/dbraw/zinc/01/72/46/824017246.db2.gz UDHPBGHTXQSHOD-RTBURBONSA-N 1 0 394.427 4.421 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000575887565 824020248 /nfs/dbraw/zinc/02/02/48/824020248.db2.gz AWNSWQHIPKCZCK-CQSZACIVSA-N 1 0 396.896 4.071 20 5 GIBDRO CCC(CC)(CNC(=O)c1cccc(OC)c1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000192571034 824035503 /nfs/dbraw/zinc/03/55/03/824035503.db2.gz OQKKYGYZFMAMFX-INIZCTEOSA-N 1 0 399.491 4.243 20 5 GIBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165050060 721968414 /nfs/dbraw/zinc/96/84/14/721968414.db2.gz ZHBJOWPJFFTZPU-ZDUSSCGKSA-N 1 0 388.846 4.033 20 5 GIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165049196 721979114 /nfs/dbraw/zinc/97/91/14/721979114.db2.gz IEZDCVNKTGPDDZ-CQSZACIVSA-N 1 0 389.887 4.036 20 5 GIBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175948962 823080183 /nfs/dbraw/zinc/08/01/83/823080183.db2.gz YJMIEKBJCDNIHB-UHFFFAOYSA-N 1 0 391.880 4.049 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000056163519 823093814 /nfs/dbraw/zinc/09/38/14/823093814.db2.gz QMIFOMPIZOURMZ-CVEARBPZSA-N 1 0 385.464 4.368 20 5 GIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)C[C@H]1CCC[N@@H+]1CC ZINC000570838646 823093916 /nfs/dbraw/zinc/09/39/16/823093916.db2.gz IUXZIIXKOYPLTP-MRXNPFEDSA-N 1 0 379.526 4.043 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000176223894 823156775 /nfs/dbraw/zinc/15/67/75/823156775.db2.gz OSUWKRLMCDDZEY-UHFFFAOYSA-N 1 0 396.491 4.040 20 5 GIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188121877 823190066 /nfs/dbraw/zinc/19/00/66/823190066.db2.gz WCYPSZHXIAYAAC-UHFFFAOYSA-N 1 0 387.505 4.041 20 5 GIBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764147 823208993 /nfs/dbraw/zinc/20/89/93/823208993.db2.gz UIYPGAASDUIJCU-UHFFFAOYSA-N 1 0 396.491 4.287 20 5 GIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000571746695 823228800 /nfs/dbraw/zinc/22/88/00/823228800.db2.gz QOJMSROZUPGRKU-CVEARBPZSA-N 1 0 398.385 4.006 20 5 GIBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176581731 823241502 /nfs/dbraw/zinc/24/15/02/823241502.db2.gz XDOGIDSIOUJAGA-WMLDXEAASA-N 1 0 387.867 4.031 20 5 GIBDRO Cc1cc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000409528409 823242233 /nfs/dbraw/zinc/24/22/33/823242233.db2.gz PGXGSBXXCMCPEY-MRXNPFEDSA-N 1 0 392.459 4.107 20 5 GIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000121824284 823258483 /nfs/dbraw/zinc/25/84/83/823258483.db2.gz AZGZARKHDNEHSZ-YOEHRIQHSA-N 1 0 385.420 4.197 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000188618486 823273921 /nfs/dbraw/zinc/27/39/21/823273921.db2.gz WFGPPJXGICMCCU-JDFRZJQESA-N 1 0 390.402 4.128 20 5 GIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)CCC2 ZINC000572088574 823281421 /nfs/dbraw/zinc/28/14/21/823281421.db2.gz KZMAXYYBQYPTPU-QFIPXVFZSA-N 1 0 383.467 4.366 20 5 GIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)CCC2 ZINC000572088573 823281540 /nfs/dbraw/zinc/28/15/40/823281540.db2.gz KZMAXYYBQYPTPU-JOCHJYFZSA-N 1 0 383.467 4.366 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000011101238 818051987 /nfs/dbraw/zinc/05/19/87/818051987.db2.gz ATDACKOINAQPTR-DJJJIMSYSA-N 1 0 389.427 4.056 20 5 GIBDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000409865368 823329834 /nfs/dbraw/zinc/32/98/34/823329834.db2.gz SAMKJYPMXXPKTH-LJQANCHMSA-N 1 0 383.448 4.159 20 5 GIBDRO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000176944404 823331003 /nfs/dbraw/zinc/33/10/03/823331003.db2.gz JOYKFNLREYJRQN-LLVKDONJSA-N 1 0 393.431 4.016 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(CNC3CC[NH+](C4CCCC4)CC3)cs2)c1 ZINC000176992809 823344868 /nfs/dbraw/zinc/34/48/68/823344868.db2.gz MIAKQECSWYKPOQ-UHFFFAOYSA-N 1 0 386.521 4.215 20 5 GIBDRO COc1cc(CNc2cc(C)cc(C)[nH+]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000122375227 823345811 /nfs/dbraw/zinc/34/58/11/823345811.db2.gz QDNDYNOENSKLNF-UHFFFAOYSA-N 1 0 385.342 4.168 20 5 GIBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000410000364 823367796 /nfs/dbraw/zinc/36/77/96/823367796.db2.gz LNJAVUKBEWOKML-QGZVFWFLSA-N 1 0 396.491 4.189 20 5 GIBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122629828 823384735 /nfs/dbraw/zinc/38/47/35/823384735.db2.gz LZGPNUCFPMQPJZ-OXQOHEQNSA-N 1 0 396.491 4.141 20 5 GIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189298078 823389814 /nfs/dbraw/zinc/38/98/14/823389814.db2.gz XZHFKJJXGNIFMR-OAHLLOKOSA-N 1 0 378.432 4.369 20 5 GIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000122735369 823402706 /nfs/dbraw/zinc/40/27/06/823402706.db2.gz UPEYCJFZFUUGQI-UHFFFAOYSA-N 1 0 378.432 4.237 20 5 GIBDRO C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000024809916 819880417 /nfs/dbraw/zinc/88/04/17/819880417.db2.gz HSYYJDVYEFRESA-INIZCTEOSA-N 1 0 396.491 4.145 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)o2)c1 ZINC000122983004 823443584 /nfs/dbraw/zinc/44/35/84/823443584.db2.gz BUYZJQWIYLDUAJ-HXUWFJFHSA-N 1 0 386.448 4.015 20 5 GIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3c(F)cccc3N3CCCC3)c2c1 ZINC000573078596 823444922 /nfs/dbraw/zinc/44/49/22/823444922.db2.gz SOYRGBJEKBVXGH-UHFFFAOYSA-N 1 0 382.439 4.148 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000026230736 820072743 /nfs/dbraw/zinc/07/27/43/820072743.db2.gz WKESEVDSCQYZEB-QFIPXVFZSA-N 1 0 390.443 4.006 20 5 GIBDRO CSc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000573161055 823457663 /nfs/dbraw/zinc/45/76/63/823457663.db2.gz GMFTXXMMAJNRGQ-QGZVFWFLSA-N 1 0 393.896 4.003 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000058824192 823459657 /nfs/dbraw/zinc/45/96/57/823459657.db2.gz ZOAGEQZJAPAZBQ-QGZVFWFLSA-N 1 0 376.482 4.169 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000189629144 823462525 /nfs/dbraw/zinc/46/25/25/823462525.db2.gz ADBBNQJYFCMWKY-KSSFIOAISA-N 1 0 398.381 4.428 20 5 GIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000058857301 823462708 /nfs/dbraw/zinc/46/27/08/823462708.db2.gz KWVGEUZPGWBSHR-UHFFFAOYSA-N 1 0 396.447 4.049 20 5 GIBDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000123128501 823466888 /nfs/dbraw/zinc/46/68/88/823466888.db2.gz IPTKUCOISBZMAA-INIZCTEOSA-N 1 0 384.480 4.362 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000029167404 820404001 /nfs/dbraw/zinc/40/40/01/820404001.db2.gz FPXWTJMCSVIUCP-IBGZPJMESA-N 1 0 387.505 4.130 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000029415576 820453216 /nfs/dbraw/zinc/45/32/16/820453216.db2.gz LEUJNWWJNAFSOL-MRXNPFEDSA-N 1 0 381.885 4.123 20 5 GIBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000123237827 823483303 /nfs/dbraw/zinc/48/33/03/823483303.db2.gz XVFDKQZQIVYPNT-INIZCTEOSA-N 1 0 393.553 4.147 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000029844007 820531467 /nfs/dbraw/zinc/53/14/67/820531467.db2.gz JAZHSNNKTXRRMB-INIZCTEOSA-N 1 0 397.475 4.233 20 5 GIBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)[NH+](C)C)c1 ZINC000059368227 823493906 /nfs/dbraw/zinc/49/39/06/823493906.db2.gz OMTFIMKSWWWKES-KRWDZBQOSA-N 1 0 383.370 4.337 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000031053763 820729306 /nfs/dbraw/zinc/72/93/06/820729306.db2.gz TXVARTQWJJSRCK-UHFFFAOYSA-N 1 0 382.247 4.362 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031988824 820885570 /nfs/dbraw/zinc/88/55/70/820885570.db2.gz ZCFXYVHMRBAXCO-MRXNPFEDSA-N 1 0 393.534 4.191 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1Cl ZINC000032316072 820913906 /nfs/dbraw/zinc/91/39/06/820913906.db2.gz FKDAUTHZCUPQMO-LJQANCHMSA-N 1 0 389.883 4.370 20 5 GIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190026272 823527997 /nfs/dbraw/zinc/52/79/97/823527997.db2.gz DHDGXSZUKOAIIL-SJLPKXTDSA-N 1 0 375.494 4.446 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccsc1 ZINC000043149330 821368926 /nfs/dbraw/zinc/36/89/26/821368926.db2.gz IMTXGUKPWQZTHT-KRWDZBQOSA-N 1 0 376.482 4.169 20 5 GIBDRO Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000180859235 821498375 /nfs/dbraw/zinc/49/83/75/821498375.db2.gz UOVIFCDPSRJXDC-UHFFFAOYSA-N 1 0 381.354 4.236 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000180892156 821518572 /nfs/dbraw/zinc/51/85/72/821518572.db2.gz YWPNPGQAHYZZFO-CVEARBPZSA-N 1 0 390.443 4.335 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180908242 821529272 /nfs/dbraw/zinc/52/92/72/821529272.db2.gz HJRYOQAKBPQQNM-HZPDHXFCSA-N 1 0 390.443 4.335 20 5 GIBDRO Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000044877325 821676467 /nfs/dbraw/zinc/67/64/67/821676467.db2.gz VNZWZDRWFUPALC-MRXNPFEDSA-N 1 0 381.476 4.065 20 5 GIBDRO Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000044877322 821676499 /nfs/dbraw/zinc/67/64/99/821676499.db2.gz VNZWZDRWFUPALC-INIZCTEOSA-N 1 0 381.476 4.065 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000181428607 821822103 /nfs/dbraw/zinc/82/21/03/821822103.db2.gz DHBIDIWQXHESLE-UHFFFAOYSA-N 1 0 391.537 4.186 20 5 GIBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664803 821932036 /nfs/dbraw/zinc/93/20/36/821932036.db2.gz MRFIIXSHVBDJNH-ZIAGYGMSSA-N 1 0 387.505 4.192 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000181810551 822002195 /nfs/dbraw/zinc/00/21/95/822002195.db2.gz LTWNWQLJGHZMBW-YQQAZPJKSA-N 1 0 387.505 4.368 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000181810588 822002208 /nfs/dbraw/zinc/00/22/08/822002208.db2.gz LTWNWQLJGHZMBW-ZMSDIMECSA-N 1 0 387.505 4.368 20 5 GIBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182208170 822147919 /nfs/dbraw/zinc/14/79/19/822147919.db2.gz AULYVBDRMFUSQS-AWEZNQCLSA-N 1 0 399.944 4.111 20 5 GIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000182625680 822328451 /nfs/dbraw/zinc/32/84/51/822328451.db2.gz DAGGOLOOLDXVGJ-ZDUSSCGKSA-N 1 0 391.855 4.325 20 5 GIBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)oc21 ZINC000182663618 822343421 /nfs/dbraw/zinc/34/34/21/822343421.db2.gz NXCRMRCOMQADJH-CQSZACIVSA-N 1 0 397.431 4.053 20 5 GIBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206827 822352421 /nfs/dbraw/zinc/35/24/21/822352421.db2.gz HPZDYMZEBHFORB-CYBMUJFWSA-N 1 0 396.472 4.316 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000182861391 822381100 /nfs/dbraw/zinc/38/11/00/822381100.db2.gz YWXBYLBKYQRVMX-KRWDZBQOSA-N 1 0 393.487 4.266 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000182867325 822382196 /nfs/dbraw/zinc/38/21/96/822382196.db2.gz ATTANUJTIITRIP-OAHLLOKOSA-N 1 0 385.439 4.454 20 5 GIBDRO COc1cc(C[NH2+]CCC2CC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000453592165 822390184 /nfs/dbraw/zinc/39/01/84/822390184.db2.gz SMZMGZPUBURUFD-UHFFFAOYSA-N 1 0 398.328 4.070 20 5 GIBDRO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178648438 822399394 /nfs/dbraw/zinc/39/93/94/822399394.db2.gz BLCYYGRCXZIPHC-HNNXBMFYSA-N 1 0 376.416 4.093 20 5 GIBDRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000178655241 822400047 /nfs/dbraw/zinc/40/00/47/822400047.db2.gz NWPFLMKGTZCIHH-OAHLLOKOSA-N 1 0 388.537 4.177 20 5 GIBDRO C[N@H+](Cc1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000045930130 822424188 /nfs/dbraw/zinc/42/41/88/822424188.db2.gz MCYKCRJRWITAPA-UHFFFAOYSA-N 1 0 397.475 4.377 20 5 GIBDRO Cc1nc(COc2ccc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)no1 ZINC000179320584 822465615 /nfs/dbraw/zinc/46/56/15/822465615.db2.gz DIOUMYHZSJDXFW-UHFFFAOYSA-N 1 0 396.447 4.276 20 5 GIBDRO Cc1ccc(NCc2ccc([N+](=O)[O-])cc2C)cc1NC(=O)CN1CCCCC1 ZINC000183407966 822469841 /nfs/dbraw/zinc/46/98/41/822469841.db2.gz KAPMZCIRSBMBGM-UHFFFAOYSA-N 1 0 396.491 4.248 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000179395338 822476507 /nfs/dbraw/zinc/47/65/07/822476507.db2.gz MFMJTJAWKGHSAY-HNNXBMFYSA-N 1 0 385.464 4.439 20 5 GIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000183593494 822498739 /nfs/dbraw/zinc/49/87/39/822498739.db2.gz MRUNUGYRVUIGJX-UONOGXRCSA-N 1 0 397.431 4.336 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179592250 822508742 /nfs/dbraw/zinc/50/87/42/822508742.db2.gz LHRHZVZMOVSRMM-CYBMUJFWSA-N 1 0 393.390 4.184 20 5 GIBDRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2c1 ZINC000184330582 822616291 /nfs/dbraw/zinc/61/62/91/822616291.db2.gz OPLOKZSHIKCWGY-AWEZNQCLSA-N 1 0 397.431 4.256 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184355309 822621045 /nfs/dbraw/zinc/62/10/45/822621045.db2.gz FUBSVXWBZFMERI-ZDUSSCGKSA-N 1 0 399.472 4.498 20 5 GIBDRO O=C(C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000180139273 822624379 /nfs/dbraw/zinc/62/43/79/822624379.db2.gz KDXURMNVDYVEAL-SFHVURJKSA-N 1 0 393.365 4.293 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184881988 822706360 /nfs/dbraw/zinc/70/63/60/822706360.db2.gz CPLTVDZMVAGTOC-GJZGRUSLSA-N 1 0 394.431 4.236 20 5 GIBDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000174292053 822764517 /nfs/dbraw/zinc/76/45/17/822764517.db2.gz DEDKAAYTOXMBOL-UHFFFAOYSA-N 1 0 382.464 4.021 20 5 GIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000185400283 822779018 /nfs/dbraw/zinc/77/90/18/822779018.db2.gz OOLRYFHONITFJS-SFHVURJKSA-N 1 0 399.491 4.051 20 5 GIBDRO CC(=O)c1ccc(NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052314561 822795970 /nfs/dbraw/zinc/79/59/70/822795970.db2.gz DSLKAAIHXSUNSI-HOTGVXAUSA-N 1 0 397.475 4.019 20 5 GIBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000174670432 822821518 /nfs/dbraw/zinc/82/15/18/822821518.db2.gz HXXXMTUBTBEYDZ-SJORKVTESA-N 1 0 391.537 4.042 20 5 GIBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000456703925 822824799 /nfs/dbraw/zinc/82/47/99/822824799.db2.gz RWYLYYXGXGHFCO-UHFFFAOYSA-N 1 0 394.475 4.085 20 5 GIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569058952 822875068 /nfs/dbraw/zinc/87/50/68/822875068.db2.gz VQYDRZOTHMHCMR-WOJBJXKFSA-N 1 0 388.471 4.101 20 5 GIBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000569807516 822971715 /nfs/dbraw/zinc/97/17/15/822971715.db2.gz HWYZCHBKDFKQBW-WIYYLYMNSA-N 1 0 397.475 4.082 20 5 GIBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150971 823010662 /nfs/dbraw/zinc/01/06/62/823010662.db2.gz PKRAPHOPMHUTGA-DOVSJBTNSA-N 1 0 399.491 4.401 20 5 GIBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000570473143 823042863 /nfs/dbraw/zinc/04/28/63/823042863.db2.gz TZBMWYJFWUQGAW-HXUWFJFHSA-N 1 0 383.448 4.055 20 5 GIBDRO CC(C)c1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000190256919 823556959 /nfs/dbraw/zinc/55/69/59/823556959.db2.gz MHVHNIYHHPVYRA-INIZCTEOSA-N 1 0 396.491 4.069 20 5 GIBDRO Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060860578 823563029 /nfs/dbraw/zinc/56/30/29/823563029.db2.gz ULPSYDFNEZQUKC-LJQANCHMSA-N 1 0 395.438 4.214 20 5 GIBDRO O=C(CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411379166 823567626 /nfs/dbraw/zinc/56/76/26/823567626.db2.gz DMLFNZPZRZFDRD-GOSISDBHSA-N 1 0 394.431 4.292 20 5 GIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1[N+](=O)[O-] ZINC000124161059 823573349 /nfs/dbraw/zinc/57/33/49/823573349.db2.gz IJYARAJZOQOGIC-GOSISDBHSA-N 1 0 397.523 4.416 20 5 GIBDRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000461095836 823576055 /nfs/dbraw/zinc/57/60/55/823576055.db2.gz DSTLPTLBGRMVGO-RHSMWYFYSA-N 1 0 390.505 4.152 20 5 GIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CCO)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000124442932 823597350 /nfs/dbraw/zinc/59/73/50/823597350.db2.gz PNXCMFJDCZFPPV-LJQANCHMSA-N 1 0 382.416 4.077 20 5 GIBDRO CC(C)([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC000411758697 823602999 /nfs/dbraw/zinc/60/29/99/823602999.db2.gz OAMFFQVFBPZMIC-UHFFFAOYSA-N 1 0 379.819 4.241 20 5 GIBDRO Cc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)[NH+]2CCCC2)cc1 ZINC000061733420 823610068 /nfs/dbraw/zinc/61/00/68/823610068.db2.gz CWAFXXACGOJGMJ-FQEVSTJZSA-N 1 0 382.464 4.170 20 5 GIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000461442313 823638442 /nfs/dbraw/zinc/63/84/42/823638442.db2.gz FWDOYCVHJIFWFI-MRXNPFEDSA-N 1 0 382.233 4.211 20 5 GIBDRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000574404377 823720460 /nfs/dbraw/zinc/72/04/60/823720460.db2.gz OQSSRKITHIZAEK-OAHLLOKOSA-N 1 0 384.402 4.057 20 5 GIBDRO Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191660836 823726187 /nfs/dbraw/zinc/72/61/87/823726187.db2.gz KPOPDFGBDMXPTF-MRXNPFEDSA-N 1 0 396.413 4.406 20 5 GIBDRO CCOc1c(Br)cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000126055120 823776463 /nfs/dbraw/zinc/77/64/63/823776463.db2.gz UKWOJZAUWGAPCJ-UHFFFAOYSA-N 1 0 395.253 4.054 20 5 GIBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000126162182 823803019 /nfs/dbraw/zinc/80/30/19/823803019.db2.gz JKSZUIQZGSVZQN-UHFFFAOYSA-N 1 0 382.464 4.021 20 5 GIBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1OC(F)F ZINC000462114432 823832502 /nfs/dbraw/zinc/83/25/02/823832502.db2.gz WHNZBYTZHOXEAO-HNNXBMFYSA-N 1 0 381.379 4.428 20 5 GIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@H]2CCOC2)c1 ZINC000167183716 823888172 /nfs/dbraw/zinc/88/81/72/823888172.db2.gz UJHHOIGOEDTDKZ-ROUUACIJSA-N 1 0 384.476 4.478 20 5 GIBDRO CCn1cc[nH+]c1NCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000414302847 823954041 /nfs/dbraw/zinc/95/40/41/823954041.db2.gz OSUBUGSZSCAYEC-UHFFFAOYSA-N 1 0 382.420 4.011 20 5 GIBDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414545925 824007480 /nfs/dbraw/zinc/00/74/80/824007480.db2.gz SFPKKAOLDLQAJY-CYBMUJFWSA-N 1 0 391.855 4.043 20 5 GIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192574455 824036050 /nfs/dbraw/zinc/03/60/50/824036050.db2.gz AYQFMNOELFXQGY-UHFFFAOYSA-N 1 0 388.855 4.166 20 5 GIBDRO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192640978 824053581 /nfs/dbraw/zinc/05/35/81/824053581.db2.gz LFSMVUXIZUFDKU-OAQYLSRUSA-N 1 0 381.476 4.244 20 5 GIBDRO CC(C)Oc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000414955252 824053835 /nfs/dbraw/zinc/05/38/35/824053835.db2.gz OCPDTFQLIMRGAO-GOSISDBHSA-N 1 0 395.459 4.007 20 5 GIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000071954851 205298616 /nfs/dbraw/zinc/29/86/16/205298616.db2.gz HZBSBVGNMNMHSO-AWEZNQCLSA-N 1 0 385.493 4.148 20 5 GIBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120816079 823069941 /nfs/dbraw/zinc/06/99/41/823069941.db2.gz PEBDBYSFRSAUGH-YQQQUEKLSA-N 1 0 399.878 4.174 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br ZINC000056196186 823100916 /nfs/dbraw/zinc/10/09/16/823100916.db2.gz LDTJVAFADGOVOL-RYUDHWBXSA-N 1 0 392.253 4.035 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056197094 823101103 /nfs/dbraw/zinc/10/11/03/823101103.db2.gz VBOSOZKVYZFDLB-NEPJUHHUSA-N 1 0 397.353 4.171 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000187746742 823124276 /nfs/dbraw/zinc/12/42/76/823124276.db2.gz FFVNPRXBZSWKOM-HNNXBMFYSA-N 1 0 375.469 4.121 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000176222310 823156468 /nfs/dbraw/zinc/15/64/68/823156468.db2.gz GBGNZWMFPXGDQL-UHFFFAOYSA-N 1 0 382.464 4.129 20 5 GIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000121321901 823163110 /nfs/dbraw/zinc/16/31/10/823163110.db2.gz KNVGGSOQSHXMFR-OAHLLOKOSA-N 1 0 385.439 4.038 20 5 GIBDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000571534746 823197167 /nfs/dbraw/zinc/19/71/67/823197167.db2.gz YSQUYTCNYLATEG-HXUWFJFHSA-N 1 0 389.883 4.094 20 5 GIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1 ZINC000571647372 823214262 /nfs/dbraw/zinc/21/42/62/823214262.db2.gz SDCAPZMKPFIJKC-UHFFFAOYSA-N 1 0 398.507 4.187 20 5 GIBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2c2ccccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000459656554 823241735 /nfs/dbraw/zinc/24/17/35/823241735.db2.gz KTBVFZZCPFXIQG-DZGCQCFKSA-N 1 0 396.365 4.032 20 5 GIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459680158 823249354 /nfs/dbraw/zinc/24/93/54/823249354.db2.gz UYZVMRIAVLGKQQ-RBUKOAKNSA-N 1 0 378.432 4.413 20 5 GIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000008227032 818020226 /nfs/dbraw/zinc/02/02/26/818020226.db2.gz VZRLGXXPQCYOSF-OZTPJHRESA-N 1 0 387.402 4.355 20 5 GIBDRO C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011046026 818047231 /nfs/dbraw/zinc/04/72/31/818047231.db2.gz NYHUTNCILQURLN-KRWDZBQOSA-N 1 0 389.455 4.344 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1 ZINC000188800164 823308366 /nfs/dbraw/zinc/30/83/66/823308366.db2.gz HZXXSOLYVXASTF-GDBMZVCRSA-N 1 0 376.840 4.291 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)ccc1Oc1ccccc1Cl ZINC000188816194 823312131 /nfs/dbraw/zinc/31/21/31/823312131.db2.gz XFVCADKQVRQNOP-HIFRSBDPSA-N 1 0 376.840 4.291 20 5 GIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015499715 818330551 /nfs/dbraw/zinc/33/05/51/818330551.db2.gz DHSYQDXQWLXUSP-CHWSQXEVSA-N 1 0 391.855 4.243 20 5 GIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000015550363 818337843 /nfs/dbraw/zinc/33/78/43/818337843.db2.gz UFRWBGZWNFPFSD-HXUWFJFHSA-N 1 0 389.427 4.058 20 5 GIBDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572400737 823332887 /nfs/dbraw/zinc/33/28/87/823332887.db2.gz XSYLKVMMTRIETO-UHFFFAOYSA-N 1 0 389.459 4.211 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1SC ZINC000409903171 823340302 /nfs/dbraw/zinc/34/03/02/823340302.db2.gz ZEEVJQVYTGIVJO-CHWSQXEVSA-N 1 0 389.477 4.003 20 5 GIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000019625634 818596528 /nfs/dbraw/zinc/59/65/28/818596528.db2.gz KWJWUNIQOPYQPX-SJCJKPOMSA-N 1 0 391.855 4.325 20 5 GIBDRO CC(C)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000021817883 818739548 /nfs/dbraw/zinc/73/95/48/818739548.db2.gz WOXVZLJJFZVIRL-INIZCTEOSA-N 1 0 392.253 4.035 20 5 GIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023738916 818977374 /nfs/dbraw/zinc/97/73/74/818977374.db2.gz JLIRZHCBBNGUSN-OXQOHEQNSA-N 1 0 399.516 4.029 20 5 GIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(-c3cccnc3)c2)n1 ZINC000572689529 823383544 /nfs/dbraw/zinc/38/35/44/823383544.db2.gz UDMVTSMLHRPVKH-VQTJNVASSA-N 1 0 377.448 4.127 20 5 GIBDRO CSCc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000189487618 823428349 /nfs/dbraw/zinc/42/83/49/823428349.db2.gz WAIYCPDXGCXQBY-UHFFFAOYSA-N 1 0 382.489 4.148 20 5 GIBDRO CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000027140235 820200016 /nfs/dbraw/zinc/20/00/16/820200016.db2.gz CCPSCIBGLXJIEX-UHFFFAOYSA-N 1 0 383.448 4.232 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)o2)c1 ZINC000189629053 823462507 /nfs/dbraw/zinc/46/25/07/823462507.db2.gz WZGGLJQOHZGWPY-KSSFIOAISA-N 1 0 398.381 4.428 20 5 GIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000410342765 823467999 /nfs/dbraw/zinc/46/79/99/823467999.db2.gz BGSXHLCRKAZBMT-INIZCTEOSA-N 1 0 382.464 4.291 20 5 GIBDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123175002 823474238 /nfs/dbraw/zinc/47/42/38/823474238.db2.gz PVWYNJOIJGPDGQ-ZDUSSCGKSA-N 1 0 395.381 4.163 20 5 GIBDRO Cc1sc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058949477 823474285 /nfs/dbraw/zinc/47/42/85/823474285.db2.gz IDBFASVOFRQWHL-CQSZACIVSA-N 1 0 387.505 4.127 20 5 GIBDRO CC[C@](C)(O)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000189739079 823485160 /nfs/dbraw/zinc/48/51/60/823485160.db2.gz HHTFRWVADJVZEC-QFIPXVFZSA-N 1 0 395.459 4.413 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000460738257 823500675 /nfs/dbraw/zinc/50/06/75/823500675.db2.gz BOSAGVYOMZRMHE-ROUUACIJSA-N 1 0 395.503 4.311 20 5 GIBDRO Cc1cccc2nc(C3CC[NH+](CCOc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000189816570 823501027 /nfs/dbraw/zinc/50/10/27/823501027.db2.gz VOYGPLXFJRAOSQ-UHFFFAOYSA-N 1 0 381.432 4.303 20 5 GIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000123363287 823501648 /nfs/dbraw/zinc/50/16/48/823501648.db2.gz NLGHPSQOYISVDD-HXUWFJFHSA-N 1 0 394.500 4.399 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031988822 820885326 /nfs/dbraw/zinc/88/53/26/820885326.db2.gz ZCFXYVHMRBAXCO-INIZCTEOSA-N 1 0 393.534 4.191 20 5 GIBDRO O=C(CC[NH+]1CCC(Cc2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000060356403 823519255 /nfs/dbraw/zinc/51/92/55/823519255.db2.gz NNJJUJPLXNBNBO-UHFFFAOYSA-N 1 0 385.439 4.017 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410875942 823520159 /nfs/dbraw/zinc/52/01/59/823520159.db2.gz DTSOISYEEUFZOS-ZIAGYGMSSA-N 1 0 387.402 4.005 20 5 GIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043343263 821395436 /nfs/dbraw/zinc/39/54/36/821395436.db2.gz WAUAMJUDOBLUON-UHFFFAOYSA-N 1 0 388.855 4.034 20 5 GIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000180688815 821395806 /nfs/dbraw/zinc/39/58/06/821395806.db2.gz QXAPKWVWIWGSGD-ACJLOTCBSA-N 1 0 382.382 4.258 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1C(F)(F)F ZINC000043644347 821435145 /nfs/dbraw/zinc/43/51/45/821435145.db2.gz MDJPCQMBUAGMIF-UHFFFAOYSA-N 1 0 381.354 4.074 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCCOCC2)cc1 ZINC000181030147 821602039 /nfs/dbraw/zinc/60/20/39/821602039.db2.gz WTBRMYBJLDWDTI-IBGZPJMESA-N 1 0 392.459 4.106 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181312545 821751082 /nfs/dbraw/zinc/75/10/82/821751082.db2.gz BIKJGXAJSVBGEP-OAHLLOKOSA-N 1 0 399.447 4.189 20 5 GIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000181551446 821878054 /nfs/dbraw/zinc/87/80/54/821878054.db2.gz AIOUGZKTMRSDPU-HNNXBMFYSA-N 1 0 381.354 4.293 20 5 GIBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000182529950 822285044 /nfs/dbraw/zinc/28/50/44/822285044.db2.gz CRCZFTMCDHZRHK-CQSZACIVSA-N 1 0 394.431 4.102 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000182649109 822338752 /nfs/dbraw/zinc/33/87/52/822338752.db2.gz JTUCNQNBLSXVDH-SJORKVTESA-N 1 0 383.496 4.162 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178198478 822349911 /nfs/dbraw/zinc/34/99/11/822349911.db2.gz PINAODMXGRXSSZ-HNNXBMFYSA-N 1 0 387.505 4.377 20 5 GIBDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000182821220 822372914 /nfs/dbraw/zinc/37/29/14/822372914.db2.gz HFMXEVOWDHVJCD-SFHVURJKSA-N 1 0 395.503 4.301 20 5 GIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000178672319 822401541 /nfs/dbraw/zinc/40/15/41/822401541.db2.gz INQSSZFUAHMLBE-LRDDRELGSA-N 1 0 391.855 4.325 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000178683475 822402646 /nfs/dbraw/zinc/40/26/46/822402646.db2.gz MSNNWIGDEYYWPB-VXGBXAGGSA-N 1 0 379.819 4.374 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCc2nccn2C)cc1 ZINC000178684868 822402996 /nfs/dbraw/zinc/40/29/96/822402996.db2.gz SPGBYKCCUSYAEV-CVEARBPZSA-N 1 0 380.448 4.319 20 5 GIBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000183221660 822443640 /nfs/dbraw/zinc/44/36/40/822443640.db2.gz CUIRYZOBKVPVAD-ZDUSSCGKSA-N 1 0 375.494 4.136 20 5 GIBDRO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000183257614 822449309 /nfs/dbraw/zinc/44/93/09/822449309.db2.gz JQTCRPHMWBEKEX-LJQANCHMSA-N 1 0 381.432 4.235 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000179608330 822512109 /nfs/dbraw/zinc/51/21/09/822512109.db2.gz WGUMPMUTMUESGJ-UHFFFAOYSA-N 1 0 391.855 4.110 20 5 GIBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000047187866 822552548 /nfs/dbraw/zinc/55/25/48/822552548.db2.gz DAWFEBQNLOVEGL-AWEZNQCLSA-N 1 0 375.494 4.051 20 5 GIBDRO Cc1c([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cccc1[N+](=O)[O-] ZINC000184095915 822577163 /nfs/dbraw/zinc/57/71/63/822577163.db2.gz AVHMCRHZWZRYNS-CQSZACIVSA-N 1 0 384.411 4.376 20 5 GIBDRO CC(=O)Nc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180031212 822600957 /nfs/dbraw/zinc/60/09/57/822600957.db2.gz YWLZWVKWYMGSSG-JOCHJYFZSA-N 1 0 375.428 4.432 20 5 GIBDRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184325032 822615534 /nfs/dbraw/zinc/61/55/34/822615534.db2.gz YHLUBIKFNQGLDN-ZIAGYGMSSA-N 1 0 397.431 4.336 20 5 GIBDRO COCCOc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180108141 822616814 /nfs/dbraw/zinc/61/68/14/822616814.db2.gz ZUQJVIKVLCJQCA-HSZRJFAPSA-N 1 0 392.455 4.499 20 5 GIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000184483942 822643643 /nfs/dbraw/zinc/64/36/43/822643643.db2.gz SHMLFEPZYKWMCZ-UHFFFAOYSA-N 1 0 396.491 4.040 20 5 GIBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184534536 822652746 /nfs/dbraw/zinc/65/27/46/822652746.db2.gz YPCQOIUENJNNDR-VBKZILBWSA-N 1 0 385.439 4.186 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000180276683 822652865 /nfs/dbraw/zinc/65/28/65/822652865.db2.gz IMXNOVNEYOUGKH-CQSZACIVSA-N 1 0 395.419 4.063 20 5 GIBDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000180356453 822669459 /nfs/dbraw/zinc/66/94/59/822669459.db2.gz IRUOWSSSZPEQQE-ZDUSSCGKSA-N 1 0 383.404 4.029 20 5 GIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000180373020 822671565 /nfs/dbraw/zinc/67/15/65/822671565.db2.gz YILHFIIIYOPIQC-QUCCMNQESA-N 1 0 386.496 4.069 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180418978 822678503 /nfs/dbraw/zinc/67/85/03/822678503.db2.gz NHXLJCCTFSKKOV-SNVBAGLBSA-N 1 0 399.781 4.139 20 5 GIBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000049075773 822692435 /nfs/dbraw/zinc/69/24/35/822692435.db2.gz GPAFEWJHZWWGOB-UHFFFAOYSA-N 1 0 375.513 4.086 20 5 GIBDRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000184930445 822714934 /nfs/dbraw/zinc/71/49/34/822714934.db2.gz YRGBJHMTWQNXKA-INIZCTEOSA-N 1 0 399.466 4.140 20 5 GIBDRO C[NH+](C)Cc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000050313451 822725119 /nfs/dbraw/zinc/72/51/19/822725119.db2.gz FTGXGONDDVLBAZ-UHFFFAOYSA-N 1 0 382.445 4.032 20 5 GIBDRO Cc1cnc([C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)s1 ZINC000185297242 822761521 /nfs/dbraw/zinc/76/15/21/822761521.db2.gz NYHRFEIOALZNLP-SFHVURJKSA-N 1 0 384.461 4.298 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 ZINC000456281978 822793756 /nfs/dbraw/zinc/79/37/56/822793756.db2.gz RPTNRLBHQVYTNY-MRXNPFEDSA-N 1 0 393.365 4.415 20 5 GIBDRO Cc1c(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000174476231 822794966 /nfs/dbraw/zinc/79/49/66/822794966.db2.gz BPJBUGIKFJPVIR-MRXNPFEDSA-N 1 0 382.464 4.032 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185582680 822799021 /nfs/dbraw/zinc/79/90/21/822799021.db2.gz ODUFQPXXLWWOLV-INIZCTEOSA-N 1 0 393.503 4.198 20 5 GIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000053470339 822836451 /nfs/dbraw/zinc/83/64/51/822836451.db2.gz XAGTXIDLXKFSMB-IAGOWNOFSA-N 1 0 381.476 4.003 20 5 GIBDRO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000186230675 822862998 /nfs/dbraw/zinc/86/29/98/822862998.db2.gz VNPISABQYDJKFC-UHFFFAOYSA-N 1 0 391.537 4.043 20 5 GIBDRO CCC[C@H]([NH2+]C[C@@]1(COC)OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569055405 822874618 /nfs/dbraw/zinc/87/46/18/822874618.db2.gz DWVPGJFRUHXJIC-VXKWHMMOSA-N 1 0 384.476 4.140 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186443536 822896509 /nfs/dbraw/zinc/89/65/09/822896509.db2.gz NOJUUNHZBWADOB-JOCHJYFZSA-N 1 0 376.412 4.486 20 5 GIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000457975240 822946812 /nfs/dbraw/zinc/94/68/12/822946812.db2.gz MPSNVFDSQZZCHG-UHFFFAOYSA-N 1 0 384.461 4.065 20 5 GIBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000186735745 822947386 /nfs/dbraw/zinc/94/73/86/822947386.db2.gz MWYLKWVCIWUQIV-NVXWUHKLSA-N 1 0 399.516 4.100 20 5 GIBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000569829085 822973714 /nfs/dbraw/zinc/97/37/14/822973714.db2.gz PQVOMKYJXFJAOL-QDMKHBRRSA-N 1 0 375.494 4.402 20 5 GIBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000187042232 823002768 /nfs/dbraw/zinc/00/27/68/823002768.db2.gz PKWIVFAFTLDBPE-RRQGHBQHSA-N 1 0 388.468 4.279 20 5 GIBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000175662433 823015194 /nfs/dbraw/zinc/01/51/94/823015194.db2.gz PJZDGOUGSLZLHA-UHFFFAOYSA-N 1 0 389.502 4.075 20 5 GIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000570292543 823023137 /nfs/dbraw/zinc/02/31/37/823023137.db2.gz OUCSCPMGGUMZJY-ORAYPTAESA-N 1 0 380.448 4.217 20 5 GIBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124194184 823576385 /nfs/dbraw/zinc/57/63/85/823576385.db2.gz HBDLROJJSZAKCB-SUZMYJTESA-N 1 0 393.793 4.286 20 5 GIBDRO C[N@@H+](Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CC1CC(O)C1 ZINC000191156121 823654561 /nfs/dbraw/zinc/65/45/61/823654561.db2.gz PXRYCHVHXMEUJS-UHFFFAOYSA-N 1 0 376.840 4.243 20 5 GIBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(Cl)s1 ZINC000063482777 823675326 /nfs/dbraw/zinc/67/53/26/823675326.db2.gz CJYKWJQHICLZEC-UHFFFAOYSA-N 1 0 381.885 4.469 20 5 GIBDRO COc1cc(C[NH2+]Cc2c(C)noc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000063550133 823678960 /nfs/dbraw/zinc/67/89/60/823678960.db2.gz ANIDRTSFWLZRHL-UHFFFAOYSA-N 1 0 397.431 4.077 20 5 GIBDRO CC(=O)c1ccc(NC(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000063560012 823679385 /nfs/dbraw/zinc/67/93/85/823679385.db2.gz DVIUJELNVCXKPW-UHFFFAOYSA-N 1 0 383.448 4.037 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000125610272 823689761 /nfs/dbraw/zinc/68/97/61/823689761.db2.gz DTUWSKCGVXTROC-YVEFUNNKSA-N 1 0 384.354 4.186 20 5 GIBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000063723707 823691685 /nfs/dbraw/zinc/69/16/85/823691685.db2.gz XJRTUBTVJZEERX-UHFFFAOYSA-N 1 0 396.491 4.285 20 5 GIBDRO Cc1cc(NC2CC[NH+](Cc3ccncc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461764622 823693188 /nfs/dbraw/zinc/69/31/88/823693188.db2.gz AJRDKCHZXDHXRU-UHFFFAOYSA-N 1 0 394.397 4.394 20 5 GIBDRO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000191565798 823700905 /nfs/dbraw/zinc/70/09/05/823700905.db2.gz CPWKJKATJIZXIA-LSDHHAIUSA-N 1 0 396.447 4.325 20 5 GIBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413205402 823727700 /nfs/dbraw/zinc/72/77/00/823727700.db2.gz OYJXYSQJSAXMPM-HNNXBMFYSA-N 1 0 377.448 4.176 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000165002267 823829016 /nfs/dbraw/zinc/82/90/16/823829016.db2.gz CVIVMNLWCFDXIB-MRXNPFEDSA-N 1 0 393.443 4.277 20 5 GIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)N(C)C ZINC000165690052 823859513 /nfs/dbraw/zinc/85/95/13/823859513.db2.gz LCLQGTOHWQXQBM-VQIMIIECSA-N 1 0 399.491 4.172 20 5 GIBDRO COc1cc(C[NH2+]C[C@@H]2CCSC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000574956529 823870723 /nfs/dbraw/zinc/87/07/23/823870723.db2.gz IKLMGXHPHQWXQE-KRWDZBQOSA-N 1 0 388.489 4.025 20 5 GIBDRO Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(OC[C@H]2CCOC2)c1 ZINC000167191731 823888214 /nfs/dbraw/zinc/88/82/14/823888214.db2.gz RBGAUWPEZLGDBO-MSOLQXFVSA-N 1 0 384.476 4.478 20 5 GIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000575026911 823892555 /nfs/dbraw/zinc/89/25/55/823892555.db2.gz GTLNRLIJJREBDE-SFHVURJKSA-N 1 0 391.475 4.086 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000064938731 823915775 /nfs/dbraw/zinc/91/57/75/823915775.db2.gz VFFWRXLKDUBRBE-FQEVSTJZSA-N 1 0 385.464 4.309 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575221320 823944295 /nfs/dbraw/zinc/94/42/95/823944295.db2.gz PCNWJNPACLLVRS-LJQANCHMSA-N 1 0 396.491 4.327 20 5 GIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000462390530 823956657 /nfs/dbraw/zinc/95/66/57/823956657.db2.gz VEOBPYKARVKTGH-ICSRJNTNSA-N 1 0 399.491 4.100 20 5 GIBDRO Cc1ccccc1C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000170954053 824015985 /nfs/dbraw/zinc/01/59/85/824015985.db2.gz KAJDOEVRSAYSIF-UHFFFAOYSA-N 1 0 378.432 4.333 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)s2)cc1 ZINC000171052372 824048294 /nfs/dbraw/zinc/04/82/94/824048294.db2.gz PKACTDRXYWYNNR-UHFFFAOYSA-N 1 0 399.438 4.440 20 5 GIBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414922576 824050466 /nfs/dbraw/zinc/05/04/66/824050466.db2.gz GETWUNRVBHKODD-IBGZPJMESA-N 1 0 380.473 4.468 20 5 GIBDRO CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192640994 824053720 /nfs/dbraw/zinc/05/37/20/824053720.db2.gz LFSMVUXIZUFDKU-NRFANRHFSA-N 1 0 381.476 4.244 20 5 GIBDRO Cc1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164621929 719069818 /nfs/dbraw/zinc/06/98/18/719069818.db2.gz IIZWIDRMMUQNQC-DLBZAZTESA-N 1 0 386.883 4.052 20 5 GIBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001164635684 719199070 /nfs/dbraw/zinc/19/90/70/719199070.db2.gz LGSFFJSQGVOCPF-RYUDHWBXSA-N 1 0 394.834 4.103 20 5 GIBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CCC1 ZINC000570840131 823093811 /nfs/dbraw/zinc/09/38/11/823093811.db2.gz UOWKDYZLQWXVQK-UHFFFAOYSA-N 1 0 391.880 4.011 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 ZINC000056197410 823101082 /nfs/dbraw/zinc/10/10/82/823101082.db2.gz JDHCMZSLWHETCO-VXGBXAGGSA-N 1 0 392.253 4.035 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056197406 823101182 /nfs/dbraw/zinc/10/11/82/823101182.db2.gz JDHCMZSLWHETCO-NEPJUHHUSA-N 1 0 392.253 4.035 20 5 GIBDRO CSc1ccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176125080 823128981 /nfs/dbraw/zinc/12/89/81/823128981.db2.gz IFSLHLWBOFQRCV-UHFFFAOYSA-N 1 0 399.516 4.053 20 5 GIBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)O1 ZINC000176137503 823133087 /nfs/dbraw/zinc/13/30/87/823133087.db2.gz QWBXBKHDEOBNDI-QZTJIDSGSA-N 1 0 391.515 4.007 20 5 GIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000121190978 823135634 /nfs/dbraw/zinc/13/56/34/823135634.db2.gz LUUJXESRQJYYMI-HKUYNNGSSA-N 1 0 397.500 4.073 20 5 GIBDRO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056373383 823139209 /nfs/dbraw/zinc/13/92/09/823139209.db2.gz HDVZIXISDIOBFG-QGZVFWFLSA-N 1 0 396.491 4.141 20 5 GIBDRO CSc1cccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000188161729 823196442 /nfs/dbraw/zinc/19/64/42/823196442.db2.gz ZLBKSEHXUPHKOG-CVEARBPZSA-N 1 0 391.537 4.043 20 5 GIBDRO CSc1cccc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000188180541 823199100 /nfs/dbraw/zinc/19/91/00/823199100.db2.gz XWCLMMYJFLZGFG-INIZCTEOSA-N 1 0 399.516 4.053 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccco1 ZINC000571900591 823251444 /nfs/dbraw/zinc/25/14/44/823251444.db2.gz KHIPRGOZRPKMFU-HNNXBMFYSA-N 1 0 399.369 4.020 20 5 GIBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459752656 823260715 /nfs/dbraw/zinc/26/07/15/823260715.db2.gz BXUWPNXEGAOFJH-OAHLLOKOSA-N 1 0 383.423 4.494 20 5 GIBDRO C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011046268 818047368 /nfs/dbraw/zinc/04/73/68/818047368.db2.gz DNSAVLSVMUYABG-QGZVFWFLSA-N 1 0 389.455 4.344 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)ccc1Oc1ccccc1Cl ZINC000188816254 823312044 /nfs/dbraw/zinc/31/20/44/823312044.db2.gz XFVCADKQVRQNOP-DZGCQCFKSA-N 1 0 376.840 4.291 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000011708045 818110718 /nfs/dbraw/zinc/11/07/18/818110718.db2.gz QEAPTIWSCOXLCJ-STQMWFEESA-N 1 0 391.855 4.325 20 5 GIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000016780431 818477566 /nfs/dbraw/zinc/47/75/66/818477566.db2.gz ABJRPPTWWDDCMJ-UHFFFAOYSA-N 1 0 387.505 4.089 20 5 GIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000019625738 818596507 /nfs/dbraw/zinc/59/65/07/818596507.db2.gz KPASGTLWUJIXLY-PXAZEXFGSA-N 1 0 391.855 4.325 20 5 GIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000572517712 823352655 /nfs/dbraw/zinc/35/26/55/823352655.db2.gz HCKTWGZGKQLKEA-IAGOWNOFSA-N 1 0 395.503 4.311 20 5 GIBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000177065746 823363057 /nfs/dbraw/zinc/36/30/57/823363057.db2.gz GKHZUYQPVVBTHM-MLGOLLRUSA-N 1 0 393.896 4.123 20 5 GIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000024252849 819039363 /nfs/dbraw/zinc/03/93/63/819039363.db2.gz AXMXRGNNVQHUOG-INIZCTEOSA-N 1 0 391.855 4.326 20 5 GIBDRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000024733390 819869582 /nfs/dbraw/zinc/86/95/82/819869582.db2.gz LANSRDNQEUKVDL-FQEVSTJZSA-N 1 0 375.428 4.107 20 5 GIBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000026225779 820071857 /nfs/dbraw/zinc/07/18/57/820071857.db2.gz PXWFZPXBYMSBDQ-UHFFFAOYSA-N 1 0 395.381 4.383 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000026266846 820076961 /nfs/dbraw/zinc/07/69/61/820076961.db2.gz SYHFAPNQGYQAJB-FQEVSTJZSA-N 1 0 389.427 4.058 20 5 GIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000026345535 820086253 /nfs/dbraw/zinc/08/62/53/820086253.db2.gz RSAKTWSZDQTCLV-INIZCTEOSA-N 1 0 391.855 4.326 20 5 GIBDRO C[C@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)OCCc2sccc21 ZINC000573170069 823459362 /nfs/dbraw/zinc/45/93/62/823459362.db2.gz FRMTWLOVLYOWSZ-HXUWFJFHSA-N 1 0 384.457 4.494 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000026924725 820165113 /nfs/dbraw/zinc/16/51/13/820165113.db2.gz GKKUVMMQWADFRI-LJQANCHMSA-N 1 0 383.448 4.078 20 5 GIBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027140582 820200611 /nfs/dbraw/zinc/20/06/11/820200611.db2.gz WFOIOFGSSMRVAW-UHFFFAOYSA-N 1 0 396.491 4.412 20 5 GIBDRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000027739541 820281272 /nfs/dbraw/zinc/28/12/72/820281272.db2.gz VTCGVHWBYLROQJ-UHFFFAOYSA-N 1 0 391.855 4.026 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410351881 823470718 /nfs/dbraw/zinc/47/07/18/823470718.db2.gz GIKKDFIVBJRYGK-INIZCTEOSA-N 1 0 396.491 4.457 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000573371743 823485755 /nfs/dbraw/zinc/48/57/55/823485755.db2.gz GNMPPMCSQXKLAQ-OXJNMPFZSA-N 1 0 396.491 4.189 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000573371742 823485760 /nfs/dbraw/zinc/48/57/60/823485760.db2.gz GNMPPMCSQXKLAQ-JXFKEZNVSA-N 1 0 396.491 4.189 20 5 GIBDRO C[NH+](C)[C@@H](CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000029923618 820549485 /nfs/dbraw/zinc/54/94/85/820549485.db2.gz LVAZKJRNJSPEJM-HNNXBMFYSA-N 1 0 398.341 4.237 20 5 GIBDRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000031092771 820739062 /nfs/dbraw/zinc/73/90/62/820739062.db2.gz RWTFHEWKUXLPBR-SFHVURJKSA-N 1 0 388.855 4.207 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccsc1 ZINC000031985609 820884373 /nfs/dbraw/zinc/88/43/73/820884373.db2.gz QJZMNQKWOFIQJF-KRWDZBQOSA-N 1 0 393.534 4.191 20 5 GIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042698874 821325360 /nfs/dbraw/zinc/32/53/60/821325360.db2.gz WJZIGKOPXLXHDB-UHFFFAOYSA-N 1 0 391.855 4.221 20 5 GIBDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000180713514 821412050 /nfs/dbraw/zinc/41/20/50/821412050.db2.gz PEJLYQWJIHLTRL-OLZOCXBDSA-N 1 0 391.855 4.325 20 5 GIBDRO CCOc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000180713564 821412120 /nfs/dbraw/zinc/41/21/20/821412120.db2.gz PEJLYQWJIHLTRL-QWHCGFSZSA-N 1 0 391.855 4.325 20 5 GIBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180781615 821454598 /nfs/dbraw/zinc/45/45/98/821454598.db2.gz CJSRICZYHQRTTR-IRLDBZIGSA-N 1 0 393.487 4.065 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000181292391 821739313 /nfs/dbraw/zinc/73/93/13/821739313.db2.gz WHLDGQAXNZWVHE-MRXNPFEDSA-N 1 0 390.443 4.336 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181298522 821742653 /nfs/dbraw/zinc/74/26/53/821742653.db2.gz ZFJJVEQJSJVUFZ-MRXNPFEDSA-N 1 0 390.443 4.255 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)C1CC1 ZINC000181310358 821749177 /nfs/dbraw/zinc/74/91/77/821749177.db2.gz YHADWSHXEOQBFB-QGZVFWFLSA-N 1 0 380.473 4.224 20 5 GIBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181389361 821800753 /nfs/dbraw/zinc/80/07/53/821800753.db2.gz FKXKIIRNBCHTML-IRXDYDNUSA-N 1 0 379.254 4.132 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181391458 821802148 /nfs/dbraw/zinc/80/21/48/821802148.db2.gz DKLFIDKEWPNOMG-WBMJQRKESA-N 1 0 379.254 4.050 20 5 GIBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181392503 821802546 /nfs/dbraw/zinc/80/25/46/821802546.db2.gz YJQWRFUAJHMNOQ-LRDDRELGSA-N 1 0 379.254 4.050 20 5 GIBDRO CC[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181400596 821807665 /nfs/dbraw/zinc/80/76/65/821807665.db2.gz VLSCIUHAIOWLRP-DLBZAZTESA-N 1 0 379.254 4.132 20 5 GIBDRO CC(C)(CO)[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000181553734 821878543 /nfs/dbraw/zinc/87/85/43/821878543.db2.gz JYKLOSIUFBNCNX-SFTDATJTSA-N 1 0 382.504 4.308 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000181588536 821892299 /nfs/dbraw/zinc/89/22/99/821892299.db2.gz PJNXUNAJCVYNBX-IAGOWNOFSA-N 1 0 398.507 4.265 20 5 GIBDRO CCN(C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000181829126 822009652 /nfs/dbraw/zinc/00/96/52/822009652.db2.gz XFLJIWQWGJZFEA-CQSZACIVSA-N 1 0 398.488 4.217 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181887341 822027081 /nfs/dbraw/zinc/02/70/81/822027081.db2.gz AEQGFLHFOVXNDJ-KRWDZBQOSA-N 1 0 396.491 4.183 20 5 GIBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000182092153 822090333 /nfs/dbraw/zinc/09/03/33/822090333.db2.gz LZVBFYISLCAODQ-MRXNPFEDSA-N 1 0 380.448 4.043 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178093120 822316335 /nfs/dbraw/zinc/31/63/35/822316335.db2.gz FZEKCVYMSQYVPM-OLZOCXBDSA-N 1 0 375.494 4.277 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182646435 822337741 /nfs/dbraw/zinc/33/77/41/822337741.db2.gz WZSZRVUHOJIQSH-ZDUSSCGKSA-N 1 0 383.404 4.029 20 5 GIBDRO CCC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000178170888 822340724 /nfs/dbraw/zinc/34/07/24/822340724.db2.gz UAJZUIWCNVMEMM-SFHVURJKSA-N 1 0 375.856 4.109 20 5 GIBDRO C[C@@H]([NH3+])c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000178217730 822354642 /nfs/dbraw/zinc/35/46/42/822354642.db2.gz ZFQRNVJNTBVNBK-LLVKDONJSA-N 1 0 396.369 4.074 20 5 GIBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000178283908 822363216 /nfs/dbraw/zinc/36/32/16/822363216.db2.gz BZXRELQRLOTFGJ-UHFFFAOYSA-N 1 0 399.516 4.208 20 5 GIBDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000182821242 822372846 /nfs/dbraw/zinc/37/28/46/822372846.db2.gz HFMXEVOWDHVJCD-GOSISDBHSA-N 1 0 395.503 4.301 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000182855110 822379609 /nfs/dbraw/zinc/37/96/09/822379609.db2.gz SEROTEXYONYELD-OAHLLOKOSA-N 1 0 383.448 4.021 20 5 GIBDRO CCc1cc2c(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2cc1O ZINC000178685777 822402947 /nfs/dbraw/zinc/40/29/47/822402947.db2.gz NPRSBEWCFZYCNN-ZDUSSCGKSA-N 1 0 382.416 4.128 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000178730013 822406156 /nfs/dbraw/zinc/40/61/56/822406156.db2.gz URADUTYSNOECIK-GFCCVEGCSA-N 1 0 384.354 4.395 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000178867870 822417633 /nfs/dbraw/zinc/41/76/33/822417633.db2.gz KOLVUXILJAHMPM-NRFANRHFSA-N 1 0 381.407 4.038 20 5 GIBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178869652 822417948 /nfs/dbraw/zinc/41/79/48/822417948.db2.gz XMWOHJUGMLUFLF-QGZVFWFLSA-N 1 0 393.281 4.002 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C)cc1[N+](=O)[O-] ZINC000183201360 822440551 /nfs/dbraw/zinc/44/05/51/822440551.db2.gz OLVGTENUMNJGBG-OAHLLOKOSA-N 1 0 380.448 4.338 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000183457443 822477651 /nfs/dbraw/zinc/47/76/51/822477651.db2.gz DXSMNOKHERQVFG-KRWDZBQOSA-N 1 0 396.491 4.010 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000183457466 822477678 /nfs/dbraw/zinc/47/76/78/822477678.db2.gz DXSMNOKHERQVFG-QGZVFWFLSA-N 1 0 396.491 4.010 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000179409028 822478612 /nfs/dbraw/zinc/47/86/12/822478612.db2.gz CKPKZZKEBKNETM-LSDHHAIUSA-N 1 0 399.447 4.362 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000183629732 822503453 /nfs/dbraw/zinc/50/34/53/822503453.db2.gz JSTKBNLFHIUWIB-CQSZACIVSA-N 1 0 397.431 4.337 20 5 GIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000179614012 822513051 /nfs/dbraw/zinc/51/30/51/822513051.db2.gz FFCGSIFMRBKWTB-JTQLQIEISA-N 1 0 399.781 4.139 20 5 GIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1F ZINC000179632969 822516606 /nfs/dbraw/zinc/51/66/06/822516606.db2.gz BBTILVVVWBSKDN-INIZCTEOSA-N 1 0 377.391 4.251 20 5 GIBDRO C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(C(F)(F)F)c1 ZINC000179692908 822528619 /nfs/dbraw/zinc/52/86/19/822528619.db2.gz MVGKJNYZWOVWQK-NSHDSACASA-N 1 0 382.338 4.331 20 5 GIBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179780595 822551476 /nfs/dbraw/zinc/55/14/76/822551476.db2.gz UVALLLAWGGFSBX-OAHLLOKOSA-N 1 0 383.448 4.063 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000455088763 822587565 /nfs/dbraw/zinc/58/75/65/822587565.db2.gz ATJROFVFYZJDSW-KRWDZBQOSA-N 1 0 390.528 4.199 20 5 GIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000184354859 822620838 /nfs/dbraw/zinc/62/08/38/822620838.db2.gz AVTVHPWLXRWOSF-LBPRGKRZSA-N 1 0 385.445 4.107 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000180201037 822638338 /nfs/dbraw/zinc/63/83/38/822638338.db2.gz WXMIPNPWUMHRSR-QGZVFWFLSA-N 1 0 391.537 4.186 20 5 GIBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000048199072 822644640 /nfs/dbraw/zinc/64/46/40/822644640.db2.gz DIVQRAMRDVOZLL-UHFFFAOYSA-N 1 0 385.489 4.312 20 5 GIBDRO CC(C)(O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000180237057 822645624 /nfs/dbraw/zinc/64/56/24/822645624.db2.gz ITFNDUQHBLCKTD-UHFFFAOYSA-N 1 0 395.459 4.065 20 5 GIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000180373056 822671647 /nfs/dbraw/zinc/67/16/47/822671647.db2.gz YILHFIIIYOPIQC-ICSRJNTNSA-N 1 0 386.496 4.069 20 5 GIBDRO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180401335 822675826 /nfs/dbraw/zinc/67/58/26/822675826.db2.gz HCMARLIWIXFCSY-INIZCTEOSA-N 1 0 379.416 4.072 20 5 GIBDRO C[C@H]([NH2+]Cc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180422199 822678893 /nfs/dbraw/zinc/67/88/93/822678893.db2.gz DHLLBEDZLWGEOW-NSHDSACASA-N 1 0 382.201 4.050 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)o2)c(Cl)c1 ZINC000180451973 822684866 /nfs/dbraw/zinc/68/48/66/822684866.db2.gz BRMGVUSDPMTTBS-FUHWJXTLSA-N 1 0 394.880 4.215 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc21 ZINC000455895583 822744163 /nfs/dbraw/zinc/74/41/63/822744163.db2.gz CYXLSCKPPZOACT-OAQYLSRUSA-N 1 0 394.475 4.340 20 5 GIBDRO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000174474813 822794801 /nfs/dbraw/zinc/79/48/01/822794801.db2.gz SEOKTHZOCWOTCX-KDOFPFPSSA-N 1 0 388.493 4.169 20 5 GIBDRO CC(C)CCSc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000456308048 822796746 /nfs/dbraw/zinc/79/67/46/822796746.db2.gz FZBNMBDOAGGUTN-ALOPSCKCSA-N 1 0 391.537 4.088 20 5 GIBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000174516787 822799943 /nfs/dbraw/zinc/79/99/43/822799943.db2.gz UAYFANTWPCIVIH-INIZCTEOSA-N 1 0 393.553 4.147 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc21 ZINC000456342719 822800390 /nfs/dbraw/zinc/80/03/90/822800390.db2.gz ZENQFZFCKWMCSQ-QGZVFWFLSA-N 1 0 393.365 4.415 20 5 GIBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000175216969 822906958 /nfs/dbraw/zinc/90/69/58/822906958.db2.gz XXAAQRFBDDSZDY-OAQYLSRUSA-N 1 0 388.439 4.078 20 5 GIBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569614363 822944929 /nfs/dbraw/zinc/94/49/29/822944929.db2.gz JKXJFBXUJBJZKX-SJORKVTESA-N 1 0 393.438 4.034 20 5 GIBDRO Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458289337 822979127 /nfs/dbraw/zinc/97/91/27/822979127.db2.gz QHGUXDXHIKLQFT-UHFFFAOYSA-N 1 0 381.354 4.236 20 5 GIBDRO CC[NH+](CC)Cc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000190386038 823568253 /nfs/dbraw/zinc/56/82/53/823568253.db2.gz NFZBXWDKWBGFAP-UHFFFAOYSA-N 1 0 393.491 4.449 20 5 GIBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190429620 823572681 /nfs/dbraw/zinc/57/26/81/823572681.db2.gz ZKAXHBUSMMZALA-ICSRJNTNSA-N 1 0 396.447 4.081 20 5 GIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061014274 823572909 /nfs/dbraw/zinc/57/29/09/823572909.db2.gz ZAVURJFZMGNQOQ-INIZCTEOSA-N 1 0 393.443 4.428 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000061116509 823579015 /nfs/dbraw/zinc/57/90/15/823579015.db2.gz FXSRXPBJWPJYQM-UHFFFAOYSA-N 1 0 385.427 4.132 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000411476337 823579281 /nfs/dbraw/zinc/57/92/81/823579281.db2.gz PSWPRRWSDGNJIU-GFCCVEGCSA-N 1 0 379.819 4.375 20 5 GIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190490987 823580633 /nfs/dbraw/zinc/58/06/33/823580633.db2.gz YHWLSJYDFJHUEY-OAHLLOKOSA-N 1 0 380.448 4.234 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@@H](c4ccccc4)C4(CCC4)C3)o2)cc1 ZINC000411992155 823618839 /nfs/dbraw/zinc/61/88/39/823618839.db2.gz VAJNKWLJSLXNQQ-IBGZPJMESA-N 1 0 390.443 4.415 20 5 GIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191322773 823671691 /nfs/dbraw/zinc/67/16/91/823671691.db2.gz FTZCUBPSMAGRMJ-UHFFFAOYSA-N 1 0 384.480 4.327 20 5 GIBDRO C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000461667243 823677814 /nfs/dbraw/zinc/67/78/14/823677814.db2.gz PPQRPUWRIUFSFI-HNNXBMFYSA-N 1 0 384.480 4.045 20 5 GIBDRO CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000574321856 823702543 /nfs/dbraw/zinc/70/25/43/823702543.db2.gz HEACYFHZTUQRFE-JWTNVVGKSA-N 1 0 385.439 4.241 20 5 GIBDRO Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191660816 823726430 /nfs/dbraw/zinc/72/64/30/823726430.db2.gz KPOPDFGBDMXPTF-INIZCTEOSA-N 1 0 396.413 4.406 20 5 GIBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000126132099 823795627 /nfs/dbraw/zinc/79/56/27/823795627.db2.gz QSTURRNIBHILJD-UHFFFAOYSA-N 1 0 382.464 4.021 20 5 GIBDRO CC(C)[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350126 823798527 /nfs/dbraw/zinc/79/85/27/823798527.db2.gz ZUOLNQPDAILVRC-UHFFFAOYSA-N 1 0 375.856 4.487 20 5 GIBDRO Cc1cc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(N2CCCC2)n1 ZINC000575030455 823893621 /nfs/dbraw/zinc/89/36/21/823893621.db2.gz CXUSKDGQCDSGIQ-UHFFFAOYSA-N 1 0 392.459 4.448 20 5 GIBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000065154157 823951881 /nfs/dbraw/zinc/95/18/81/823951881.db2.gz OIJPMEVJEPWCNH-UHFFFAOYSA-N 1 0 377.510 4.250 20 5 GIBDRO CC(C)(C)[NH+]1CCC(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000575474580 823973324 /nfs/dbraw/zinc/97/33/24/823973324.db2.gz SJVMRAUDOACLIC-UHFFFAOYSA-N 1 0 396.360 4.319 20 5 GIBDRO CC(C)c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000414537723 824004868 /nfs/dbraw/zinc/00/48/68/824004868.db2.gz LMPYUKOPAOZKSR-JOCHJYFZSA-N 1 0 398.503 4.338 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCSC2)cc1 ZINC000575868284 824016503 /nfs/dbraw/zinc/01/65/03/824016503.db2.gz ASUKLJQFKGOTLX-MRXNPFEDSA-N 1 0 394.500 4.290 20 5 GIBDRO CC1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414929993 824051434 /nfs/dbraw/zinc/05/14/34/824051434.db2.gz AIBDXQGGWNDDEN-UHFFFAOYSA-N 1 0 375.856 4.272 20 5 GIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1nccn1Cc1ccccc1)CCC2 ZINC000192647482 824055690 /nfs/dbraw/zinc/05/56/90/824055690.db2.gz SDOOKLDVYCRRQR-OAQYLSRUSA-N 1 0 376.460 4.049 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164622875 719070677 /nfs/dbraw/zinc/07/06/77/719070677.db2.gz JDWKIGXUGBBZGP-WMZOPIPTSA-N 1 0 386.883 4.052 20 5 GIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000120854888 823077311 /nfs/dbraw/zinc/07/73/11/823077311.db2.gz BSEHOFGXWVDEPD-MRXNPFEDSA-N 1 0 382.395 4.164 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000120859298 823078462 /nfs/dbraw/zinc/07/84/62/823078462.db2.gz CVMZJBRBXNZUQR-MRXNPFEDSA-N 1 0 382.395 4.164 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000056156798 823091464 /nfs/dbraw/zinc/09/14/64/823091464.db2.gz PSYXVHDMGHRFFS-HZPDHXFCSA-N 1 0 385.464 4.368 20 5 GIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326662 823128548 /nfs/dbraw/zinc/12/85/48/823128548.db2.gz GBWPADYARLADKE-INIZCTEOSA-N 1 0 399.516 4.352 20 5 GIBDRO CSc1cccc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000188131093 823191464 /nfs/dbraw/zinc/19/14/64/823191464.db2.gz XAIJSXCZBMZFCH-CQSZACIVSA-N 1 0 387.505 4.176 20 5 GIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000121505916 823196623 /nfs/dbraw/zinc/19/66/23/823196623.db2.gz JFKVNLCUIKEXBQ-AWEZNQCLSA-N 1 0 387.867 4.204 20 5 GIBDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000571534744 823197321 /nfs/dbraw/zinc/19/73/21/823197321.db2.gz YSQUYTCNYLATEG-FQEVSTJZSA-N 1 0 389.883 4.094 20 5 GIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2c(s1)CCC2 ZINC000459632982 823233374 /nfs/dbraw/zinc/23/33/74/823233374.db2.gz OUINHYXOYKFPNG-GFCCVEGCSA-N 1 0 384.461 4.088 20 5 GIBDRO C[C@H](CCCc1cccnc1)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459639518 823235249 /nfs/dbraw/zinc/23/52/49/823235249.db2.gz OLJTUSQQTXNKFZ-MRXNPFEDSA-N 1 0 380.448 4.188 20 5 GIBDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459646806 823237580 /nfs/dbraw/zinc/23/75/80/823237580.db2.gz SRAYVABCGITPNM-GJZGRUSLSA-N 1 0 381.436 4.102 20 5 GIBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176579998 823241152 /nfs/dbraw/zinc/24/11/52/823241152.db2.gz OMQHWHXJNMWGFB-GOEBONIOSA-N 1 0 387.867 4.031 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](c3ccco3)N3CCCC3)o2)cc1 ZINC000409576043 823252810 /nfs/dbraw/zinc/25/28/10/823252810.db2.gz MCEVDIBSSYNGIM-IBGZPJMESA-N 1 0 381.432 4.375 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000011101244 818051929 /nfs/dbraw/zinc/05/19/29/818051929.db2.gz ATDACKOINAQPTR-BFUOFWGJSA-N 1 0 389.427 4.056 20 5 GIBDRO COc1ccc(C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C2CC2)cc1 ZINC000057601215 823313649 /nfs/dbraw/zinc/31/36/49/823313649.db2.gz DCKBIAWMJWAXDF-INIZCTEOSA-N 1 0 397.475 4.151 20 5 GIBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000409865366 823329782 /nfs/dbraw/zinc/32/97/82/823329782.db2.gz SAMKJYPMXXPKTH-IBGZPJMESA-N 1 0 383.448 4.159 20 5 GIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000019625629 818596592 /nfs/dbraw/zinc/59/65/92/818596592.db2.gz KWJWUNIQOPYQPX-YVEFUNNKSA-N 1 0 391.855 4.325 20 5 GIBDRO O=C(CC[NH+]1CCC(=Cc2ccccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410056192 823381690 /nfs/dbraw/zinc/38/16/90/823381690.db2.gz TUYHPMTZSSSFGL-UHFFFAOYSA-N 1 0 383.423 4.242 20 5 GIBDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000572795408 823400198 /nfs/dbraw/zinc/40/01/98/823400198.db2.gz HFLQKBXODDCFPT-KRWDZBQOSA-N 1 0 387.524 4.059 20 5 GIBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122725680 823400822 /nfs/dbraw/zinc/40/08/22/823400822.db2.gz JSZICZLANXKCAN-JTSKRJEESA-N 1 0 384.476 4.318 20 5 GIBDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C)cc1 ZINC000572916903 823419118 /nfs/dbraw/zinc/41/91/18/823419118.db2.gz VIYKHSIZMUGYKD-UHFFFAOYSA-N 1 0 385.464 4.151 20 5 GIBDRO CN(C(=O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000024734779 819870087 /nfs/dbraw/zinc/87/00/87/819870087.db2.gz CVPPRHHXXWGUHH-JOCHJYFZSA-N 1 0 389.455 4.131 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1Cl ZINC000026224857 820071377 /nfs/dbraw/zinc/07/13/77/820071377.db2.gz LRXKISUHHCNVQA-UHFFFAOYSA-N 1 0 382.247 4.362 20 5 GIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058835411 823461395 /nfs/dbraw/zinc/46/13/95/823461395.db2.gz RHOYXDSIIDHLDW-NRFANRHFSA-N 1 0 395.503 4.244 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC000460738256 823500743 /nfs/dbraw/zinc/50/07/43/823500743.db2.gz BOSAGVYOMZRMHE-QZTJIDSGSA-N 1 0 395.503 4.311 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1Cl ZINC000032316069 820913946 /nfs/dbraw/zinc/91/39/46/820913946.db2.gz FKDAUTHZCUPQMO-IBGZPJMESA-N 1 0 389.883 4.370 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000032317092 820914151 /nfs/dbraw/zinc/91/41/51/820914151.db2.gz OUSOJGVTJXVWOM-GOSISDBHSA-N 1 0 375.856 4.061 20 5 GIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000032638641 820982334 /nfs/dbraw/zinc/98/23/34/820982334.db2.gz QEWCJXAVZNPLSJ-UHFFFAOYSA-N 1 0 391.855 4.221 20 5 GIBDRO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190051991 823530922 /nfs/dbraw/zinc/53/09/22/823530922.db2.gz YCZUSZSRYBIDCL-UGSOOPFHSA-N 1 0 376.840 4.243 20 5 GIBDRO Cc1ccc([C@H](C)NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000177852186 823536337 /nfs/dbraw/zinc/53/63/37/823536337.db2.gz HVCNWUTWFHUEPW-AWEZNQCLSA-N 1 0 381.432 4.202 20 5 GIBDRO Cc1c(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000043347658 821395907 /nfs/dbraw/zinc/39/59/07/821395907.db2.gz JBEYDNMEZLZCGJ-UHFFFAOYSA-N 1 0 382.464 4.211 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000043347045 821395955 /nfs/dbraw/zinc/39/59/55/821395955.db2.gz IPVFLANDJXDGHR-KRWDZBQOSA-N 1 0 376.482 4.169 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180902678 821526475 /nfs/dbraw/zinc/52/64/75/821526475.db2.gz OAENMUKCLXFKEZ-MRXNPFEDSA-N 1 0 390.443 4.255 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180902656 821526693 /nfs/dbraw/zinc/52/66/93/821526693.db2.gz OAENMUKCLXFKEZ-INIZCTEOSA-N 1 0 390.443 4.255 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180908184 821529573 /nfs/dbraw/zinc/52/95/73/821529573.db2.gz HJRYOQAKBPQQNM-HOTGVXAUSA-N 1 0 390.443 4.335 20 5 GIBDRO CCN(CC)C(=O)CCC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000181539530 821873521 /nfs/dbraw/zinc/87/35/21/821873521.db2.gz WHVRXVQXGPYUNN-UHFFFAOYSA-N 1 0 398.507 4.316 20 5 GIBDRO COC1(C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOCC1 ZINC000181548584 821876611 /nfs/dbraw/zinc/87/66/11/821876611.db2.gz GXPQUFGCKGGODE-AWEZNQCLSA-N 1 0 376.478 4.170 20 5 GIBDRO CC[C@H](NCc1csc(-c2ccc(C(N)=O)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000181564411 821882736 /nfs/dbraw/zinc/88/27/36/821882736.db2.gz PODZMWPZCXRHNQ-SFHVURJKSA-N 1 0 396.472 4.058 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000182450164 822246815 /nfs/dbraw/zinc/24/68/15/822246815.db2.gz MALBZOKWGLSHTH-QGZVFWFLSA-N 1 0 390.528 4.199 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000182450144 822247004 /nfs/dbraw/zinc/24/70/04/822247004.db2.gz MALBZOKWGLSHTH-KRWDZBQOSA-N 1 0 390.528 4.199 20 5 GIBDRO NC(=O)c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000182536716 822288825 /nfs/dbraw/zinc/28/88/25/822288825.db2.gz FTGIJOBNXHGDFI-IBGZPJMESA-N 1 0 387.867 4.368 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000182622881 822326946 /nfs/dbraw/zinc/32/69/46/822326946.db2.gz KKGMLFNGYKNUKC-CYBMUJFWSA-N 1 0 383.404 4.029 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182921981 822393237 /nfs/dbraw/zinc/39/32/37/822393237.db2.gz VXZXCDQWCHYEEG-UHFFFAOYSA-N 1 0 376.501 4.269 20 5 GIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178669807 822401272 /nfs/dbraw/zinc/40/12/72/822401272.db2.gz XZPSPHFZFYQDCZ-FDDCHVKYSA-N 1 0 385.511 4.477 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H](Cc3ccccc3)C3CC3)o2)c1 ZINC000183390630 822467490 /nfs/dbraw/zinc/46/74/90/822467490.db2.gz KDGHDLIBYCPSLS-FQEVSTJZSA-N 1 0 377.444 4.403 20 5 GIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2C1 ZINC000183393069 822467879 /nfs/dbraw/zinc/46/78/79/822467879.db2.gz RFWLNFJPQPOIKZ-AWEZNQCLSA-N 1 0 385.439 4.448 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000179409066 822478660 /nfs/dbraw/zinc/47/86/60/822478660.db2.gz CKPKZZKEBKNETM-CABCVRRESA-N 1 0 399.447 4.362 20 5 GIBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(-c2ccccc2)no1 ZINC000179477523 822488054 /nfs/dbraw/zinc/48/80/54/822488054.db2.gz ZBDDLQDGIQEOMF-HNAYVOBHSA-N 1 0 392.459 4.359 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000183539329 822491907 /nfs/dbraw/zinc/49/19/07/822491907.db2.gz GTYRGGQBOSHDIZ-AWEZNQCLSA-N 1 0 397.431 4.337 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000179605187 822511307 /nfs/dbraw/zinc/51/13/07/822511307.db2.gz XKGBBHARSWDOTR-CYBMUJFWSA-N 1 0 393.390 4.184 20 5 GIBDRO CC(C)C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000179717110 822534090 /nfs/dbraw/zinc/53/40/90/822534090.db2.gz QQIBGAIVDQMSKN-KRWDZBQOSA-N 1 0 375.856 4.224 20 5 GIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179723464 822535362 /nfs/dbraw/zinc/53/53/62/822535362.db2.gz RCZNQNCQWOSOKJ-GXTWGEPZSA-N 1 0 393.390 4.264 20 5 GIBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179725612 822535920 /nfs/dbraw/zinc/53/59/20/822535920.db2.gz FMCRNJJRFLDJOK-AWEZNQCLSA-N 1 0 393.390 4.266 20 5 GIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000047262371 822559873 /nfs/dbraw/zinc/55/98/73/822559873.db2.gz GJPJJPREVQPHHD-ZDUSSCGKSA-N 1 0 388.855 4.055 20 5 GIBDRO CSc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)[NH+](C)C)cc1 ZINC000455174745 822602011 /nfs/dbraw/zinc/60/20/11/822602011.db2.gz VVEJPJJQBDJAOF-GOSISDBHSA-N 1 0 388.493 4.050 20 5 GIBDRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(C)c2c1 ZINC000184324855 822615172 /nfs/dbraw/zinc/61/51/72/822615172.db2.gz VLQQUROIAKKGTQ-AWEZNQCLSA-N 1 0 397.431 4.256 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000180217042 822641156 /nfs/dbraw/zinc/64/11/56/822641156.db2.gz XEYJHOKGPGMPTF-MRXNPFEDSA-N 1 0 391.537 4.186 20 5 GIBDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000184530007 822651684 /nfs/dbraw/zinc/65/16/84/822651684.db2.gz OFXFVRGQXKOFQD-NHCUHLMSSA-N 1 0 385.439 4.268 20 5 GIBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184534576 822652774 /nfs/dbraw/zinc/65/27/74/822652774.db2.gz YPCQOIUENJNNDR-XOBRGWDASA-N 1 0 385.439 4.186 20 5 GIBDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000180325691 822663614 /nfs/dbraw/zinc/66/36/14/822663614.db2.gz JKFNCKBUBUULRQ-UHFFFAOYSA-N 1 0 387.505 4.014 20 5 GIBDRO O=C(CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000180344974 822667148 /nfs/dbraw/zinc/66/71/48/822667148.db2.gz QRDCTSNDVWEKRR-QFIPXVFZSA-N 1 0 381.476 4.067 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2ccccc2)c1 ZINC000180381850 822673043 /nfs/dbraw/zinc/67/30/43/822673043.db2.gz QXFPRBNOXPUHHO-IBGZPJMESA-N 1 0 393.409 4.301 20 5 GIBDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180411022 822677335 /nfs/dbraw/zinc/67/73/35/822677335.db2.gz XTFYAKNDVABXPS-OAQYLSRUSA-N 1 0 381.476 4.462 20 5 GIBDRO C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180452107 822684885 /nfs/dbraw/zinc/68/48/85/822684885.db2.gz RTUWKDKRCKNCRU-CKFHNAJUSA-N 1 0 378.856 4.038 20 5 GIBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000174653496 822818308 /nfs/dbraw/zinc/81/83/08/822818308.db2.gz AQKYPKNAEDYFGZ-ZDUSSCGKSA-N 1 0 386.402 4.167 20 5 GIBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000185828736 822824996 /nfs/dbraw/zinc/82/49/96/822824996.db2.gz KCDSLTHABXBEAU-JDGPPOGSSA-N 1 0 395.253 4.034 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000053279538 822828849 /nfs/dbraw/zinc/82/88/49/822828849.db2.gz MKKXHQCFZMYJIG-IBGZPJMESA-N 1 0 383.448 4.078 20 5 GIBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175063011 822876246 /nfs/dbraw/zinc/87/62/46/822876246.db2.gz CERAOQUEVRHCOM-QAPCUYQASA-N 1 0 375.494 4.259 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186348886 822879644 /nfs/dbraw/zinc/87/96/44/822879644.db2.gz YMDHIAVXQVPMOJ-XCXIPPJASA-N 1 0 395.503 4.121 20 5 GIBDRO Cn1nc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000186485434 822903170 /nfs/dbraw/zinc/90/31/70/822903170.db2.gz ARPDRHUXDRLIAA-HSZRJFAPSA-N 1 0 386.455 4.403 20 5 GIBDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000569306454 822904833 /nfs/dbraw/zinc/90/48/33/822904833.db2.gz CPBXTOYIPIAXBB-GOSISDBHSA-N 1 0 389.540 4.305 20 5 GIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)CCC2 ZINC000569897387 822982670 /nfs/dbraw/zinc/98/26/70/822982670.db2.gz YLDFDHYIHYUKKL-QGZVFWFLSA-N 1 0 395.381 4.141 20 5 GIBDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000570084710 823004589 /nfs/dbraw/zinc/00/45/89/823004589.db2.gz MBOAQKKDNJNZEN-UHFFFAOYSA-N 1 0 382.441 4.400 20 5 GIBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000461036108 823563022 /nfs/dbraw/zinc/56/30/22/823563022.db2.gz CHEXJYKLBDJIMB-OAHLLOKOSA-N 1 0 387.505 4.205 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000060969425 823570195 /nfs/dbraw/zinc/57/01/95/823570195.db2.gz PHFZCDVWDYRIPV-GJZGRUSLSA-N 1 0 397.475 4.160 20 5 GIBDRO CN(C)C(C)(C)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000061015286 823573097 /nfs/dbraw/zinc/57/30/97/823573097.db2.gz TYPRSDKUZRXVRH-UHFFFAOYSA-N 1 0 377.872 4.470 20 5 GIBDRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411446140 823574989 /nfs/dbraw/zinc/57/49/89/823574989.db2.gz BOVKUURKTNNYJZ-INIZCTEOSA-N 1 0 381.354 4.207 20 5 GIBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000461259354 823606756 /nfs/dbraw/zinc/60/67/56/823606756.db2.gz BTMGCRZMQIMKOG-IBGZPJMESA-N 1 0 396.491 4.285 20 5 GIBDRO Cc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000061746314 823611362 /nfs/dbraw/zinc/61/13/62/823611362.db2.gz WEPAOZRJOOLZTJ-FQEVSTJZSA-N 1 0 382.464 4.170 20 5 GIBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(Cl)s1 ZINC000063482779 823675369 /nfs/dbraw/zinc/67/53/69/823675369.db2.gz VSIIJTABACVACA-UHFFFAOYSA-N 1 0 381.885 4.469 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191397974 823680582 /nfs/dbraw/zinc/68/05/82/823680582.db2.gz RENLFRCEMSARSJ-IBGZPJMESA-N 1 0 396.491 4.197 20 5 GIBDRO CC[C@@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000191532571 823696491 /nfs/dbraw/zinc/69/64/91/823696491.db2.gz NSORZLQYZATWKL-GOSISDBHSA-N 1 0 385.855 4.378 20 5 GIBDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000191632316 823719398 /nfs/dbraw/zinc/71/93/98/823719398.db2.gz HRYHRRHHLQATKD-UHFFFAOYSA-N 1 0 394.431 4.033 20 5 GIBDRO Cc1cc(N2CCC[C@](CO)(Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000461884750 823738047 /nfs/dbraw/zinc/73/80/47/823738047.db2.gz DHMDWKPPHWRTOR-QHCPKHFHSA-N 1 0 391.471 4.273 20 5 GIBDRO C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125939208 823749159 /nfs/dbraw/zinc/74/91/59/823749159.db2.gz YGFZOZNNGQWXTH-DJJJIMSYSA-N 1 0 381.457 4.201 20 5 GIBDRO COc1ccc(NC(=O)CC[N@@H+]2CC(C)(C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000574542741 823760063 /nfs/dbraw/zinc/76/00/63/823760063.db2.gz HWICNSBACZPCTE-GOSISDBHSA-N 1 0 389.477 4.077 20 5 GIBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000126161737 823802964 /nfs/dbraw/zinc/80/29/64/823802964.db2.gz JSXMIIYXMKIIGL-UHFFFAOYSA-N 1 0 382.464 4.021 20 5 GIBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1OC(F)F ZINC000462114433 823832332 /nfs/dbraw/zinc/83/23/32/823832332.db2.gz WHNZBYTZHOXEAO-OAHLLOKOSA-N 1 0 381.379 4.428 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000165353249 823844956 /nfs/dbraw/zinc/84/49/56/823844956.db2.gz UTUINROEFOXTST-QFIPXVFZSA-N 1 0 397.494 4.309 20 5 GIBDRO Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(OC[C@@H]2CCOC2)c1 ZINC000167191662 823888003 /nfs/dbraw/zinc/88/80/03/823888003.db2.gz RBGAUWPEZLGDBO-QZTJIDSGSA-N 1 0 384.476 4.478 20 5 GIBDRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000575071831 823904428 /nfs/dbraw/zinc/90/44/28/823904428.db2.gz IJVXKWMKPNBCEZ-UAOJZALGSA-N 1 0 397.450 4.063 20 5 GIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000192483818 824008284 /nfs/dbraw/zinc/00/82/84/824008284.db2.gz GIQOJSRJHDGDOZ-KRWDZBQOSA-N 1 0 381.476 4.208 20 5 GIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000171014406 824037442 /nfs/dbraw/zinc/03/74/42/824037442.db2.gz KFOOTSZEJPQBKR-UHFFFAOYSA-N 1 0 387.505 4.041 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)s1 ZINC000171052393 824048234 /nfs/dbraw/zinc/04/82/34/824048234.db2.gz KHVQUDCLTWPVCY-UHFFFAOYSA-N 1 0 399.438 4.440 20 5 GIBDRO O=[N+]([O-])c1ccc2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001164623628 719070901 /nfs/dbraw/zinc/07/09/01/719070901.db2.gz KASLHRQILKXKKK-KNQAVFIVSA-N 1 0 388.471 4.244 20 5 GIBDRO O=[N+]([O-])c1cccc2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc21 ZINC001164619858 719075986 /nfs/dbraw/zinc/07/59/86/719075986.db2.gz CSJKCHITXURAFO-AVRDEDQJSA-N 1 0 388.471 4.244 20 5 GIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(C)cc4[N+](=O)[O-])CC3)CC2)cc1 ZINC001164769640 721042233 /nfs/dbraw/zinc/04/22/33/721042233.db2.gz XCDUYOXTVARQMF-UHFFFAOYSA-N 1 0 394.519 4.489 20 5 GIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc([N+](=O)[O-])cc4F)CC3)CC2)cc1 ZINC001164759603 721043091 /nfs/dbraw/zinc/04/30/91/721043091.db2.gz PPVWWDNPYGNVBT-UHFFFAOYSA-N 1 0 398.482 4.320 20 5 GIBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165050059 721968465 /nfs/dbraw/zinc/96/84/65/721968465.db2.gz ZHBJOWPJFFTZPU-CYBMUJFWSA-N 1 0 388.846 4.033 20 5 GIBDRO CC1(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000187571467 823090457 /nfs/dbraw/zinc/09/04/57/823090457.db2.gz YHXQARKYVLQXIU-UHFFFAOYSA-N 1 0 393.487 4.176 20 5 GIBDRO Cc1ccc(C[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000120966889 823094533 /nfs/dbraw/zinc/09/45/33/823094533.db2.gz VSLUUQOOFLGOSN-UHFFFAOYSA-N 1 0 393.443 4.046 20 5 GIBDRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196562 823100831 /nfs/dbraw/zinc/10/08/31/823100831.db2.gz VNLFZBBHRYQCNH-OLZOCXBDSA-N 1 0 391.855 4.243 20 5 GIBDRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000571023085 823121614 /nfs/dbraw/zinc/12/16/14/823121614.db2.gz IWTQCJJWARJKGO-QGZVFWFLSA-N 1 0 381.476 4.001 20 5 GIBDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000121129594 823123394 /nfs/dbraw/zinc/12/33/94/823123394.db2.gz AYAOSMIGOBJVRT-LBPRGKRZSA-N 1 0 381.354 4.121 20 5 GIBDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000121214867 823140004 /nfs/dbraw/zinc/14/00/04/823140004.db2.gz AUZFBEVQUILXBY-OXQOHEQNSA-N 1 0 382.464 4.112 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(Cc4ccccc4)CCCC3)n2)cc1 ZINC000571190952 823146062 /nfs/dbraw/zinc/14/60/62/823146062.db2.gz HSVVABRRFPYQAC-UHFFFAOYSA-N 1 0 378.432 4.290 20 5 GIBDRO Cc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(-c2ccnn2C)c1 ZINC000571241228 823154083 /nfs/dbraw/zinc/15/40/83/823154083.db2.gz PRKJQEXRMGFERM-UHFFFAOYSA-N 1 0 389.459 4.117 20 5 GIBDRO CSc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000188096635 823185766 /nfs/dbraw/zinc/18/57/66/823185766.db2.gz DNJMVKTWYWUOFH-SFHVURJKSA-N 1 0 399.516 4.192 20 5 GIBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176581761 823241411 /nfs/dbraw/zinc/24/14/11/823241411.db2.gz XDOGIDSIOUJAGA-YOEHRIQHSA-N 1 0 387.867 4.031 20 5 GIBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+]2CCCC2)cc1 ZINC000023381134 818930472 /nfs/dbraw/zinc/93/04/72/818930472.db2.gz BRYUTYACLHBFLH-JOCHJYFZSA-N 1 0 392.459 4.401 20 5 GIBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000122850392 823423074 /nfs/dbraw/zinc/42/30/74/823423074.db2.gz UHTPENFTTCLANY-MRXNPFEDSA-N 1 0 393.553 4.147 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CCN(CC(F)(F)F)CC3)o2)cc1 ZINC000189471258 823424391 /nfs/dbraw/zinc/42/43/91/823424391.db2.gz BJDVXLVIOKQTQJ-UHFFFAOYSA-N 1 0 397.397 4.219 20 5 GIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000573049681 823440197 /nfs/dbraw/zinc/44/01/97/823440197.db2.gz AOKMHVGMQVWVGC-INIZCTEOSA-N 1 0 385.464 4.058 20 5 GIBDRO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025216147 819944125 /nfs/dbraw/zinc/94/41/25/819944125.db2.gz WXECJPIXTDNESN-BDJLRTHQSA-N 1 0 391.880 4.402 20 5 GIBDRO CC(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000123069221 823456485 /nfs/dbraw/zinc/45/64/85/823456485.db2.gz VOHBFVMEXHMMGT-UHFFFAOYSA-N 1 0 381.476 4.113 20 5 GIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000410351957 823470941 /nfs/dbraw/zinc/47/09/41/823470941.db2.gz GVLVAZVRYBIIHI-INIZCTEOSA-N 1 0 382.464 4.148 20 5 GIBDRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000058950230 823474676 /nfs/dbraw/zinc/47/46/76/823474676.db2.gz IAWILFWQIXLVNB-INIZCTEOSA-N 1 0 381.476 4.208 20 5 GIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029178347 820406898 /nfs/dbraw/zinc/40/68/98/820406898.db2.gz OTKMGHCECQBOHG-OXQOHEQNSA-N 1 0 399.516 4.029 20 5 GIBDRO CC1CC[NH+](Cc2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2)CC1 ZINC000029529465 820468948 /nfs/dbraw/zinc/46/89/48/820468948.db2.gz XSFALFKYFWMLFA-UHFFFAOYSA-N 1 0 385.493 4.148 20 5 GIBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000123238040 823483445 /nfs/dbraw/zinc/48/34/45/823483445.db2.gz XVFDKQZQIVYPNT-MRXNPFEDSA-N 1 0 393.553 4.147 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccsc1 ZINC000123256167 823486324 /nfs/dbraw/zinc/48/63/24/823486324.db2.gz HCSUPWWLHPTEOH-SFHVURJKSA-N 1 0 398.488 4.017 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000460738254 823500503 /nfs/dbraw/zinc/50/05/03/823500503.db2.gz BOSAGVYOMZRMHE-HDICACEKSA-N 1 0 395.503 4.311 20 5 GIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190026232 823527985 /nfs/dbraw/zinc/52/79/85/823527985.db2.gz DHDGXSZUKOAIIL-FUHWJXTLSA-N 1 0 375.494 4.446 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000180898268 821522960 /nfs/dbraw/zinc/52/29/60/821522960.db2.gz GDRFXNLVMRDVBZ-MRXNPFEDSA-N 1 0 390.443 4.336 20 5 GIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000044754606 821653604 /nfs/dbraw/zinc/65/36/04/821653604.db2.gz NLHJHHKKVQQFEI-CALCHBBNSA-N 1 0 381.476 4.003 20 5 GIBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664827 821931895 /nfs/dbraw/zinc/93/18/95/821931895.db2.gz MRFIIXSHVBDJNH-KBPBESRZSA-N 1 0 387.505 4.192 20 5 GIBDRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182651378 822339207 /nfs/dbraw/zinc/33/92/07/822339207.db2.gz PSNFZVAWEHMYOF-HNNXBMFYSA-N 1 0 385.439 4.462 20 5 GIBDRO Cc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000182716185 822357363 /nfs/dbraw/zinc/35/73/63/822357363.db2.gz SNHXDNDQWYILQD-UHFFFAOYSA-N 1 0 393.896 4.349 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000182738235 822360180 /nfs/dbraw/zinc/36/01/80/822360180.db2.gz LMUVZMLEJSEWPS-OAHLLOKOSA-N 1 0 393.447 4.289 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000178682190 822402460 /nfs/dbraw/zinc/40/24/60/822402460.db2.gz SPZWYTNGHOHARV-GJZGRUSLSA-N 1 0 378.432 4.129 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000183455886 822477460 /nfs/dbraw/zinc/47/74/60/822477460.db2.gz TYLFBQSOIKFDGC-UHFFFAOYSA-N 1 0 399.454 4.441 20 5 GIBDRO Cc1csc([C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)n1 ZINC000183506496 822487406 /nfs/dbraw/zinc/48/74/06/822487406.db2.gz PYPSHIOGPCQAHA-SFHVURJKSA-N 1 0 384.461 4.298 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000183629321 822503362 /nfs/dbraw/zinc/50/33/62/822503362.db2.gz QHQFBKMBMWJGJT-UONOGXRCSA-N 1 0 397.431 4.336 20 5 GIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179571411 822505456 /nfs/dbraw/zinc/50/54/56/822505456.db2.gz KVEOICADBNIOKT-UHFFFAOYSA-N 1 0 395.503 4.257 20 5 GIBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000179693275 822528677 /nfs/dbraw/zinc/52/86/77/822528677.db2.gz GYLPKHUEUINVPA-KRWDZBQOSA-N 1 0 393.443 4.298 20 5 GIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 ZINC000179693623 822528932 /nfs/dbraw/zinc/52/89/32/822528932.db2.gz RTFCANPIGMERTD-KRWDZBQOSA-N 1 0 377.444 4.462 20 5 GIBDRO COc1ccc2oc([C@@H](C)[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184339358 822618381 /nfs/dbraw/zinc/61/83/81/822618381.db2.gz HZKDKNCAKBLZQP-CQSZACIVSA-N 1 0 397.431 4.337 20 5 GIBDRO CC(C)c1noc(CCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180411756 822677469 /nfs/dbraw/zinc/67/74/69/822677469.db2.gz WVNKAWVMQXAJOW-HXUWFJFHSA-N 1 0 380.448 4.413 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000180414975 822677709 /nfs/dbraw/zinc/67/77/09/822677709.db2.gz GYUVDOJSPOWPFJ-UHFFFAOYSA-N 1 0 377.847 4.142 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000180418031 822678247 /nfs/dbraw/zinc/67/82/47/822678247.db2.gz AHRCFENDQHEDCH-UHFFFAOYSA-N 1 0 377.847 4.142 20 5 GIBDRO CC(=O)Nc1ccc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180427685 822679902 /nfs/dbraw/zinc/67/99/02/822679902.db2.gz DUFLTWRBZLILBK-HSZRJFAPSA-N 1 0 389.455 4.475 20 5 GIBDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000180440743 822682434 /nfs/dbraw/zinc/68/24/34/822682434.db2.gz LCQZZYXOMIUGMR-GJZGRUSLSA-N 1 0 381.432 4.211 20 5 GIBDRO O=C(CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000180535952 822698073 /nfs/dbraw/zinc/69/80/73/822698073.db2.gz IITORUJFKKDXGN-JOCHJYFZSA-N 1 0 375.428 4.303 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)c2ccccc2)c1 ZINC000180607379 822711186 /nfs/dbraw/zinc/71/11/86/822711186.db2.gz XPNYGQSUBOZDPE-GGAORHGYSA-N 1 0 376.456 4.440 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000185006532 822724497 /nfs/dbraw/zinc/72/44/97/822724497.db2.gz JDUTVBULZILWHJ-UGSOOPFHSA-N 1 0 393.484 4.098 20 5 GIBDRO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000174474804 822794783 /nfs/dbraw/zinc/79/47/83/822794783.db2.gz SEOKTHZOCWOTCX-KSSFIOAISA-N 1 0 388.493 4.169 20 5 GIBDRO CC(=O)c1ccc(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052314562 822795975 /nfs/dbraw/zinc/79/59/75/822795975.db2.gz DSLKAAIHXSUNSI-HZPDHXFCSA-N 1 0 397.475 4.019 20 5 GIBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000053088632 822821135 /nfs/dbraw/zinc/82/11/35/822821135.db2.gz WIVXEOSNLSEBNL-AWEZNQCLSA-N 1 0 389.427 4.154 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(Cc4ccccc4)CCCC3)o2)cc1 ZINC000185836590 822825860 /nfs/dbraw/zinc/82/58/60/822825860.db2.gz BVYQVNSZWJMJMV-UHFFFAOYSA-N 1 0 378.432 4.290 20 5 GIBDRO COc1ccccc1C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000185901108 822831416 /nfs/dbraw/zinc/83/14/16/822831416.db2.gz AQMZEEFYLZVNEA-GOSISDBHSA-N 1 0 396.447 4.010 20 5 GIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000053470338 822836489 /nfs/dbraw/zinc/83/64/89/822836489.db2.gz XAGTXIDLXKFSMB-IRXDYDNUSA-N 1 0 381.476 4.003 20 5 GIBDRO Cc1noc(C2CC[NH+](Cc3cc(=O)oc4ccc5ccccc5c34)CC2)n1 ZINC000053641342 822843581 /nfs/dbraw/zinc/84/35/81/822843581.db2.gz FLJFQPCUXDFQCL-UHFFFAOYSA-N 1 0 375.428 4.017 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)o2)c1 ZINC000186434313 822894721 /nfs/dbraw/zinc/89/47/21/822894721.db2.gz VQVYQMPTTDLQFA-JOCHJYFZSA-N 1 0 376.412 4.486 20 5 GIBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c2ccncc21 ZINC000054636594 822901009 /nfs/dbraw/zinc/90/10/09/822901009.db2.gz FXODUCAKHSUGSN-UHFFFAOYSA-N 1 0 399.454 4.013 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCSC4(CCOCC4)C3)s2)cc1 ZINC000186488760 822903735 /nfs/dbraw/zinc/90/37/35/822903735.db2.gz LBSBYBWXWYUVGK-UHFFFAOYSA-N 1 0 390.530 4.421 20 5 GIBDRO CSc1cccc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000186515529 822907283 /nfs/dbraw/zinc/90/72/83/822907283.db2.gz YLVITEUDHPMVST-OAHLLOKOSA-N 1 0 399.516 4.272 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000175272945 822921451 /nfs/dbraw/zinc/92/14/51/822921451.db2.gz ZNHMPIRAVKOLOK-KRWDZBQOSA-N 1 0 375.856 4.061 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000055151854 822940967 /nfs/dbraw/zinc/94/09/67/822940967.db2.gz NLLXPNMNSUEPAK-JKSUJKDBSA-N 1 0 385.464 4.368 20 5 GIBDRO C[NH+](C)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000569611721 822944617 /nfs/dbraw/zinc/94/46/17/822944617.db2.gz JTNANPMHPAAEES-HXUWFJFHSA-N 1 0 383.423 4.386 20 5 GIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186848017 822966900 /nfs/dbraw/zinc/96/69/00/822966900.db2.gz AIPYNZNMBMXTKG-SUMWQHHRSA-N 1 0 395.381 4.248 20 5 GIBDRO C[C@@H]1CC(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000569829086 822973756 /nfs/dbraw/zinc/97/37/56/822973756.db2.gz PQVOMKYJXFJAOL-ZIAGYGMSSA-N 1 0 375.494 4.402 20 5 GIBDRO CSc1cccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000186947592 822984799 /nfs/dbraw/zinc/98/47/99/822984799.db2.gz RQFVGMFEMWRTET-UHFFFAOYSA-N 1 0 385.489 4.207 20 5 GIBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000570047465 823000714 /nfs/dbraw/zinc/00/07/14/823000714.db2.gz VPPHXXRZTOPHMG-MRXNPFEDSA-N 1 0 397.475 4.189 20 5 GIBDRO O=[N+]([O-])c1cccc(OCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000570233548 823017417 /nfs/dbraw/zinc/01/74/17/823017417.db2.gz NJFCRQOEMRBPJH-UHFFFAOYSA-N 1 0 394.431 4.210 20 5 GIBDRO Cc1ccc(-c2noc([C@H](C)N[C@H]3CCc4c3cccc4[N+](=O)[O-])n2)cc1F ZINC000570463001 823041007 /nfs/dbraw/zinc/04/10/07/823041007.db2.gz OCOWQDZMAMSMRH-SJCJKPOMSA-N 1 0 382.395 4.430 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000460965590 823552240 /nfs/dbraw/zinc/55/22/40/823552240.db2.gz SLHWQRHARVIBOV-OAQYLSRUSA-N 1 0 381.476 4.106 20 5 GIBDRO O=C(CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411379168 823567657 /nfs/dbraw/zinc/56/76/57/823567657.db2.gz DMLFNZPZRZFDRD-SFHVURJKSA-N 1 0 394.431 4.292 20 5 GIBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190429598 823572666 /nfs/dbraw/zinc/57/26/66/823572666.db2.gz FZRCLCNAVMQOGU-ICSRJNTNSA-N 1 0 396.447 4.081 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)C4(CCC4)C3)o2)cc1 ZINC000411992156 823618870 /nfs/dbraw/zinc/61/88/70/823618870.db2.gz VAJNKWLJSLXNQQ-LJQANCHMSA-N 1 0 390.443 4.415 20 5 GIBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000190937296 823627109 /nfs/dbraw/zinc/62/71/09/823627109.db2.gz LQGCZWMAXFBFKX-WCQYABFASA-N 1 0 395.253 4.274 20 5 GIBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000461462603 823642597 /nfs/dbraw/zinc/64/25/97/823642597.db2.gz GIFSRLWAVCWTBM-MRXNPFEDSA-N 1 0 394.269 4.081 20 5 GIBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461570686 823662078 /nfs/dbraw/zinc/66/20/78/823662078.db2.gz OJCKGONUFPKZIN-UHFFFAOYSA-N 1 0 399.516 4.317 20 5 GIBDRO COc1cccc(OC)c1OC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000125265501 823663262 /nfs/dbraw/zinc/66/32/62/823663262.db2.gz QRRWCBLJQXDYMB-HNNXBMFYSA-N 1 0 386.448 4.216 20 5 GIBDRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000063558661 823679232 /nfs/dbraw/zinc/67/92/32/823679232.db2.gz HERFBBDBPRFCBN-UHFFFAOYSA-N 1 0 390.867 4.095 20 5 GIBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000063693952 823689756 /nfs/dbraw/zinc/68/97/56/823689756.db2.gz LNJAVUKBEWOKML-KRWDZBQOSA-N 1 0 396.491 4.189 20 5 GIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000125626301 823691094 /nfs/dbraw/zinc/69/10/94/823691094.db2.gz TULIMPBSSPPRSW-PXAZEXFGSA-N 1 0 384.354 4.186 20 5 GIBDRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413232793 823734822 /nfs/dbraw/zinc/73/48/22/823734822.db2.gz GYVSZTXHOILEQD-SFHVURJKSA-N 1 0 391.475 4.029 20 5 GIBDRO CSC1(CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC[NH+](C)CC1 ZINC000461883805 823737676 /nfs/dbraw/zinc/73/76/76/823737676.db2.gz PDEBGHSLNDIRDH-UHFFFAOYSA-N 1 0 377.432 4.161 20 5 GIBDRO Cc1cc(N2CC[C@]3(C2)CC(=O)c2ccccc2O3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413531768 823793379 /nfs/dbraw/zinc/79/33/79/823793379.db2.gz MWVMGYCIOKSABE-JOCHJYFZSA-N 1 0 389.411 4.066 20 5 GIBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000126130880 823795733 /nfs/dbraw/zinc/79/57/33/823795733.db2.gz GFVMOBDVKNHTIB-UHFFFAOYSA-N 1 0 382.464 4.021 20 5 GIBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000064348800 823797823 /nfs/dbraw/zinc/79/78/23/823797823.db2.gz KCBYHUCMNJFHOD-YJBOKZPZSA-N 1 0 384.432 4.164 20 5 GIBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000462117080 823833690 /nfs/dbraw/zinc/83/36/90/823833690.db2.gz BGXLSVFPKNODGY-FQEVSTJZSA-N 1 0 385.464 4.251 20 5 GIBDRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000064631578 823854364 /nfs/dbraw/zinc/85/43/64/823854364.db2.gz GRUOYUQFQICXIY-UHFFFAOYSA-N 1 0 397.475 4.084 20 5 GIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1F ZINC000192085962 823855609 /nfs/dbraw/zinc/85/56/09/823855609.db2.gz GRBVFJXEHSLSTL-QAPCUYQASA-N 1 0 398.793 4.155 20 5 GIBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)N(C)C ZINC000165689537 823858850 /nfs/dbraw/zinc/85/88/50/823858850.db2.gz GZQSNAYUUABPDA-OXQOHEQNSA-N 1 0 399.491 4.172 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192107626 823862651 /nfs/dbraw/zinc/86/26/51/823862651.db2.gz KHEDBMQKIRUHKY-FUHWJXTLSA-N 1 0 380.803 4.016 20 5 GIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(OC[C@@H]2CCOC2)c1 ZINC000167191503 823888085 /nfs/dbraw/zinc/88/80/85/823888085.db2.gz RBGAUWPEZLGDBO-ZWKOTPCHSA-N 1 0 384.476 4.478 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000064879134 823905634 /nfs/dbraw/zinc/90/56/34/823905634.db2.gz LPBVPVRLTIDTDP-INIZCTEOSA-N 1 0 381.885 4.123 20 5 GIBDRO CCc1cc(NC2CC[NH+](CC(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905608 823909614 /nfs/dbraw/zinc/90/96/14/823909614.db2.gz LKSBJJKUZVHQQA-UHFFFAOYSA-N 1 0 383.496 4.147 20 5 GIBDRO Cc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000065014592 823924841 /nfs/dbraw/zinc/92/48/41/823924841.db2.gz ITFUFVVVCCEDJI-UHFFFAOYSA-N 1 0 390.365 4.398 20 5 GIBDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000414206014 823928366 /nfs/dbraw/zinc/92/83/66/823928366.db2.gz DUROAGARGWMVKI-ZDUSSCGKSA-N 1 0 396.896 4.201 20 5 GIBDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000414206013 823928545 /nfs/dbraw/zinc/92/85/45/823928545.db2.gz DUROAGARGWMVKI-CYBMUJFWSA-N 1 0 396.896 4.201 20 5 GIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000462435053 823974355 /nfs/dbraw/zinc/97/43/55/823974355.db2.gz DHWIUJOVVMLMQV-NQIIRXRSSA-N 1 0 393.487 4.175 20 5 GIBDRO CC(C)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCc2cccnc21 ZINC000126921344 823981246 /nfs/dbraw/zinc/98/12/46/823981246.db2.gz QJSQZEIFKYIPOF-FQEVSTJZSA-N 1 0 397.475 4.392 20 5 GIBDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000414549888 824009120 /nfs/dbraw/zinc/00/91/20/824009120.db2.gz MCQRYXAEGPWMDU-KRWDZBQOSA-N 1 0 399.516 4.300 20 5 GIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000192511968 824016455 /nfs/dbraw/zinc/01/64/55/824016455.db2.gz AATQBTWDBXRPTN-SFHVURJKSA-N 1 0 378.375 4.446 20 5 GIBDRO COc1cc(CNc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414802513 824037502 /nfs/dbraw/zinc/03/75/02/824037502.db2.gz IDVAGUDQZPXDAT-LLVKDONJSA-N 1 0 399.369 4.176 20 5 GIBDRO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000171050503 824047756 /nfs/dbraw/zinc/04/77/56/824047756.db2.gz MQOWHEWAEXFODE-GOSISDBHSA-N 1 0 384.457 4.155 20 5 GIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627809 719071321 /nfs/dbraw/zinc/07/13/21/719071321.db2.gz QWCYGSJYIWERDP-AEFFLSMTSA-N 1 0 386.883 4.052 20 5 GIBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164630873 719092850 /nfs/dbraw/zinc/09/28/50/719092850.db2.gz WZXZXQPQNCSPRQ-DENIHFKCSA-N 1 0 388.471 4.244 20 5 GIBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000175864388 823058649 /nfs/dbraw/zinc/05/86/49/823058649.db2.gz KZYPCTQQAFUXNO-HWIKTNENSA-N 1 0 392.546 4.493 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000056197098 823101197 /nfs/dbraw/zinc/10/11/97/823101197.db2.gz VBOSOZKVYZFDLB-VXGBXAGGSA-N 1 0 397.353 4.171 20 5 GIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000570990365 823116729 /nfs/dbraw/zinc/11/67/29/823116729.db2.gz AUWZNTMWMCSXHR-QGZVFWFLSA-N 1 0 376.254 4.036 20 5 GIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000176222977 823156724 /nfs/dbraw/zinc/15/67/24/823156724.db2.gz SVWOVOZYHUOQEC-CYBMUJFWSA-N 1 0 375.856 4.107 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccsc1 ZINC000188052925 823178291 /nfs/dbraw/zinc/17/82/91/823178291.db2.gz GPJCTJAWSSLFTL-OAHLLOKOSA-N 1 0 393.534 4.191 20 5 GIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc(Br)c1O ZINC000459464782 823197377 /nfs/dbraw/zinc/19/73/77/823197377.db2.gz MRSVAWYFFVGLIL-LLVKDONJSA-N 1 0 395.253 4.312 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000571694778 823220213 /nfs/dbraw/zinc/22/02/13/823220213.db2.gz NGNZWIZHSDWUNI-HXUWFJFHSA-N 1 0 382.464 4.116 20 5 GIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2c(s1)CCC2 ZINC000459632983 823233330 /nfs/dbraw/zinc/23/33/30/823233330.db2.gz OUINHYXOYKFPNG-LBPRGKRZSA-N 1 0 384.461 4.088 20 5 GIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459649583 823238853 /nfs/dbraw/zinc/23/88/53/823238853.db2.gz MELXFAXQYLYUEZ-NJELEJDNSA-N 1 0 384.398 4.289 20 5 GIBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176581747 823241333 /nfs/dbraw/zinc/24/13/33/823241333.db2.gz XDOGIDSIOUJAGA-PBHICJAKSA-N 1 0 387.867 4.031 20 5 GIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000057034385 823241577 /nfs/dbraw/zinc/24/15/77/823241577.db2.gz UVAHFAOIIMSEGW-UHFFFAOYSA-N 1 0 378.432 4.314 20 5 GIBDRO C[C@@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176721405 823276806 /nfs/dbraw/zinc/27/68/06/823276806.db2.gz PGOJZBCDNVQPFH-ZBFHGGJFSA-N 1 0 387.867 4.031 20 5 GIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 ZINC000016236722 818408015 /nfs/dbraw/zinc/40/80/15/818408015.db2.gz LSYGKGUABGEAGA-UHFFFAOYSA-N 1 0 387.505 4.089 20 5 GIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000572444847 823340439 /nfs/dbraw/zinc/34/04/39/823340439.db2.gz HRCXZCFSQQNJNF-BVYCBKJFSA-N 1 0 376.412 4.291 20 5 GIBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177035444 823356003 /nfs/dbraw/zinc/35/60/03/823356003.db2.gz LOYTYOJRLFWZHS-UHFFFAOYSA-N 1 0 391.431 4.191 20 5 GIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000058520653 823403294 /nfs/dbraw/zinc/40/32/94/823403294.db2.gz DKMSPYQUCIIDKZ-MRXNPFEDSA-N 1 0 382.464 4.291 20 5 GIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189505214 823433113 /nfs/dbraw/zinc/43/31/13/823433113.db2.gz WKLBYUWXXYJRPQ-VBNZEHGJSA-N 1 0 376.482 4.360 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)o2)c1 ZINC000122982761 823443611 /nfs/dbraw/zinc/44/36/11/823443611.db2.gz BUYZJQWIYLDUAJ-FQEVSTJZSA-N 1 0 386.448 4.015 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000025897971 820036599 /nfs/dbraw/zinc/03/65/99/820036599.db2.gz BTXBTHAPKNTYJP-INIZCTEOSA-N 1 0 397.475 4.032 20 5 GIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573137536 823453223 /nfs/dbraw/zinc/45/32/23/823453223.db2.gz QDNKLWSJEZIXQP-BMIGLBTASA-N 1 0 382.386 4.309 20 5 GIBDRO CC(C)c1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189604873 823456664 /nfs/dbraw/zinc/45/66/64/823456664.db2.gz NIGMKHCVMPKIAY-UHFFFAOYSA-N 1 0 396.491 4.477 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000410351884 823470681 /nfs/dbraw/zinc/47/06/81/823470681.db2.gz GIKKDFIVBJRYGK-MRXNPFEDSA-N 1 0 396.491 4.457 20 5 GIBDRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000058952304 823475006 /nfs/dbraw/zinc/47/50/06/823475006.db2.gz VQNNSTDRDIKRBJ-INIZCTEOSA-N 1 0 381.476 4.065 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410364503 823475541 /nfs/dbraw/zinc/47/55/41/823475541.db2.gz INVFAOYHIDQVMO-INIZCTEOSA-N 1 0 396.491 4.457 20 5 GIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000410367000 823476660 /nfs/dbraw/zinc/47/66/60/823476660.db2.gz NATVBIJPDSONGH-INIZCTEOSA-N 1 0 382.464 4.148 20 5 GIBDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000123203223 823477915 /nfs/dbraw/zinc/47/79/15/823477915.db2.gz DLNHNEIOMCBADQ-UHFFFAOYSA-N 1 0 399.491 4.325 20 5 GIBDRO C[C@H](C1CC1)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000029844816 820531442 /nfs/dbraw/zinc/53/14/42/820531442.db2.gz QKYQVHHEGCHIDO-OAHLLOKOSA-N 1 0 378.432 4.446 20 5 GIBDRO C[C@@H](C1CC1)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000029844809 820531474 /nfs/dbraw/zinc/53/14/74/820531474.db2.gz QKYQVHHEGCHIDO-HNNXBMFYSA-N 1 0 378.432 4.446 20 5 GIBDRO C[N@H+](Cc1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000059888515 823501820 /nfs/dbraw/zinc/50/18/20/823501820.db2.gz BRYQCKODSGAYIY-UHFFFAOYSA-N 1 0 381.476 4.289 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 ZINC000037668407 821093397 /nfs/dbraw/zinc/09/33/97/821093397.db2.gz HJFYHLICOIRGEU-LLVKDONJSA-N 1 0 382.201 4.050 20 5 GIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000190064697 823532916 /nfs/dbraw/zinc/53/29/16/823532916.db2.gz DKHMRITYPLPUBZ-KNXALSJPSA-N 1 0 385.917 4.229 20 5 GIBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043343106 821395487 /nfs/dbraw/zinc/39/54/87/821395487.db2.gz FDAJFOGQTHCYQX-INIZCTEOSA-N 1 0 392.843 4.190 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180865594 821501659 /nfs/dbraw/zinc/50/16/59/821501659.db2.gz JMEQDJRPTPMSRE-UHFFFAOYSA-N 1 0 377.391 4.035 20 5 GIBDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000181233606 821710181 /nfs/dbraw/zinc/71/01/81/821710181.db2.gz CKUOFUXQPMEFCA-AWEZNQCLSA-N 1 0 387.505 4.280 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181298477 821742581 /nfs/dbraw/zinc/74/25/81/821742581.db2.gz DHTJXUMFBNUVJL-MRXNPFEDSA-N 1 0 390.443 4.255 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181304130 821745231 /nfs/dbraw/zinc/74/52/31/821745231.db2.gz VQYWNWVATKXVMK-JKSUJKDBSA-N 1 0 390.443 4.335 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)C1CC1 ZINC000181310340 821749110 /nfs/dbraw/zinc/74/91/10/821749110.db2.gz YHADWSHXEOQBFB-KRWDZBQOSA-N 1 0 380.473 4.224 20 5 GIBDRO CCN(C[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1)CC(F)(F)F ZINC000181520753 821864834 /nfs/dbraw/zinc/86/48/34/821864834.db2.gz IGEZCUUNWFPDGP-AWEZNQCLSA-N 1 0 396.413 4.162 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182622859 822326692 /nfs/dbraw/zinc/32/66/92/822326692.db2.gz KKGMLFNGYKNUKC-ZDUSSCGKSA-N 1 0 383.404 4.029 20 5 GIBDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)oc21 ZINC000182663633 822343346 /nfs/dbraw/zinc/34/33/46/822343346.db2.gz NXCRMRCOMQADJH-AWEZNQCLSA-N 1 0 397.431 4.053 20 5 GIBDRO COc1ccccc1N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000178228893 822356377 /nfs/dbraw/zinc/35/63/77/822356377.db2.gz RAAUIHRYQWYBEH-FQEVSTJZSA-N 1 0 395.503 4.183 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000182738253 822360079 /nfs/dbraw/zinc/36/00/79/822360079.db2.gz LMUVZMLEJSEWPS-HNNXBMFYSA-N 1 0 393.447 4.289 20 5 GIBDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC000182864823 822381591 /nfs/dbraw/zinc/38/15/91/822381591.db2.gz GROPDSKCCGUZIU-OAHLLOKOSA-N 1 0 387.505 4.229 20 5 GIBDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000178478021 822383112 /nfs/dbraw/zinc/38/31/12/822383112.db2.gz MGJTVHIHPZJXOW-FQEVSTJZSA-N 1 0 381.476 4.300 20 5 GIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(F)(F)F ZINC000178646343 822399233 /nfs/dbraw/zinc/39/92/33/822399233.db2.gz IQJWBUNIUIHVPF-LBPRGKRZSA-N 1 0 384.354 4.395 20 5 GIBDRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000178655224 822400080 /nfs/dbraw/zinc/40/00/80/822400080.db2.gz NWPFLMKGTZCIHH-HNNXBMFYSA-N 1 0 388.537 4.177 20 5 GIBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178657055 822400309 /nfs/dbraw/zinc/40/03/09/822400309.db2.gz ZUOZNFPZCZWYOS-ZFWWWQNUSA-N 1 0 377.391 4.126 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000178679675 822402123 /nfs/dbraw/zinc/40/21/23/822402123.db2.gz OFELLZMRWYQKDT-CHWSQXEVSA-N 1 0 393.390 4.182 20 5 GIBDRO Cc1c([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cccc1[N+](=O)[O-] ZINC000183077806 822421633 /nfs/dbraw/zinc/42/16/33/822421633.db2.gz TWKADDXYPZIIMC-QGZVFWFLSA-N 1 0 383.492 4.281 20 5 GIBDRO CCOc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000183189505 822438474 /nfs/dbraw/zinc/43/84/74/822438474.db2.gz JPTFVRMFJSHUAY-XYJFISCASA-N 1 0 375.513 4.297 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000179501412 822492297 /nfs/dbraw/zinc/49/22/97/822492297.db2.gz DSPKBDGIPVFKBI-MJGOQNOKSA-N 1 0 378.831 4.032 20 5 GIBDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454597506 822503532 /nfs/dbraw/zinc/50/35/32/822503532.db2.gz OFGYKTVBGZEBJG-UWVAXJGDSA-N 1 0 396.491 4.008 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179684453 822526749 /nfs/dbraw/zinc/52/67/49/822526749.db2.gz OZQPDEZFLFNEND-MRXNPFEDSA-N 1 0 393.443 4.428 20 5 GIBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000179920219 822577276 /nfs/dbraw/zinc/57/72/76/822577276.db2.gz IVMFNBCEUIKOLP-UHFFFAOYSA-N 1 0 387.505 4.062 20 5 GIBDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000184529989 822651705 /nfs/dbraw/zinc/65/17/05/822651705.db2.gz OFXFVRGQXKOFQD-LEWJYISDSA-N 1 0 385.439 4.268 20 5 GIBDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000180333506 822665008 /nfs/dbraw/zinc/66/50/08/822665008.db2.gz APSPZXVPDQYIAK-UHFFFAOYSA-N 1 0 387.505 4.014 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000180436580 822681510 /nfs/dbraw/zinc/68/15/10/822681510.db2.gz OUKTVGQLFWVOFI-LLVKDONJSA-N 1 0 382.247 4.499 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180438543 822682116 /nfs/dbraw/zinc/68/21/16/822682116.db2.gz MCELFIQRDWKEIX-FZKQIMNGSA-N 1 0 375.494 4.211 20 5 GIBDRO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180534764 822697836 /nfs/dbraw/zinc/69/78/36/822697836.db2.gz ZYMFMUFAKNGXDC-AWEZNQCLSA-N 1 0 395.484 4.316 20 5 GIBDRO Cn1cc(C[N@H+](CCC(F)(F)F)CC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180536721 822698223 /nfs/dbraw/zinc/69/82/23/822698223.db2.gz CRVOJMFCONIJOD-UHFFFAOYSA-N 1 0 382.386 4.160 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCOCC2CCOCC2)c2ccccc2)c1 ZINC000180599309 822708753 /nfs/dbraw/zinc/70/87/53/822708753.db2.gz IXUSQANVEHKXBA-QFIPXVFZSA-N 1 0 384.476 4.107 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(I)cc1 ZINC000050015593 822713919 /nfs/dbraw/zinc/71/39/19/822713919.db2.gz CSLANVPHYUMMEP-LLVKDONJSA-N 1 0 382.201 4.050 20 5 GIBDRO Cc1sc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000184947059 822717026 /nfs/dbraw/zinc/71/70/26/822717026.db2.gz KJMPFJGZCFZWOJ-LLVKDONJSA-N 1 0 391.884 4.227 20 5 GIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185022021 822726317 /nfs/dbraw/zinc/72/63/17/822726317.db2.gz KIIXSGCOUQCTBD-OAHLLOKOSA-N 1 0 385.439 4.380 20 5 GIBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133708 822747693 /nfs/dbraw/zinc/74/76/93/822747693.db2.gz MYBWRKQXHVWFFH-PLMTUMEDSA-N 1 0 397.475 4.022 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133759 822747708 /nfs/dbraw/zinc/74/77/08/822747708.db2.gz RGWXVMKFCZEXSX-PGRDOPGGSA-N 1 0 397.475 4.023 20 5 GIBDRO C[C@](O)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccco1 ZINC000174527548 822801426 /nfs/dbraw/zinc/80/14/26/822801426.db2.gz LJUKCSNDGYQMFI-SFHVURJKSA-N 1 0 376.796 4.099 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724617 822814793 /nfs/dbraw/zinc/81/47/93/822814793.db2.gz QFOKUKOEQSSNPU-SJORKVTESA-N 1 0 375.513 4.125 20 5 GIBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000174653510 822818313 /nfs/dbraw/zinc/81/83/13/822818313.db2.gz AQKYPKNAEDYFGZ-CYBMUJFWSA-N 1 0 386.402 4.167 20 5 GIBDRO COc1ccccc1C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000185901127 822831425 /nfs/dbraw/zinc/83/14/25/822831425.db2.gz AQMZEEFYLZVNEA-SFHVURJKSA-N 1 0 396.447 4.010 20 5 GIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000053470337 822836419 /nfs/dbraw/zinc/83/64/19/822836419.db2.gz XAGTXIDLXKFSMB-CALCHBBNSA-N 1 0 381.476 4.003 20 5 GIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569058951 822875031 /nfs/dbraw/zinc/87/50/31/822875031.db2.gz VQYDRZOTHMHCMR-VQTJNVASSA-N 1 0 388.471 4.101 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186348905 822880004 /nfs/dbraw/zinc/88/00/04/822880004.db2.gz YMDHIAVXQVPMOJ-GZPQXULJSA-N 1 0 395.503 4.121 20 5 GIBDRO Cn1cccc1[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000175122951 822886888 /nfs/dbraw/zinc/88/68/88/822886888.db2.gz NOFZIXNQHTYXJH-LJQANCHMSA-N 1 0 380.448 4.358 20 5 GIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000175562785 822998272 /nfs/dbraw/zinc/99/82/72/822998272.db2.gz JOEJOSFQXAGMJM-UHFFFAOYSA-N 1 0 391.855 4.221 20 5 GIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000570292549 823023144 /nfs/dbraw/zinc/02/31/44/823023144.db2.gz OUCSCPMGGUMZJY-YJYMSZOUSA-N 1 0 380.448 4.217 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175705350 823024268 /nfs/dbraw/zinc/02/42/68/823024268.db2.gz KJRIUPGBHOGHPA-VXGBXAGGSA-N 1 0 397.353 4.171 20 5 GIBDRO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC(C)(C)C1 ZINC000570326637 823026143 /nfs/dbraw/zinc/02/61/43/823026143.db2.gz WBBNLNRPPGVYNI-QGZVFWFLSA-N 1 0 375.494 4.498 20 5 GIBDRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000187225235 823027517 /nfs/dbraw/zinc/02/75/17/823027517.db2.gz FTXOXMRRDHIHCN-AWEZNQCLSA-N 1 0 380.400 4.492 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190176498 823546676 /nfs/dbraw/zinc/54/66/76/823546676.db2.gz PPENBDIDLFMWCS-OAHLLOKOSA-N 1 0 387.402 4.142 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000411369250 823566855 /nfs/dbraw/zinc/56/68/55/823566855.db2.gz XIQKXWWMRQTGKE-UHFFFAOYSA-N 1 0 391.855 4.110 20 5 GIBDRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002714 823572060 /nfs/dbraw/zinc/57/20/60/823572060.db2.gz WJSRDONWPJOYRS-UHFFFAOYSA-N 1 0 378.428 4.472 20 5 GIBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000461227504 823601646 /nfs/dbraw/zinc/60/16/46/823601646.db2.gz FPCLGAGTNSHCKK-UHFFFAOYSA-N 1 0 396.491 4.190 20 5 GIBDRO CC(C)OCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555164 823603483 /nfs/dbraw/zinc/60/34/83/823603483.db2.gz DPQNCPBNUSUCOB-UHFFFAOYSA-N 1 0 394.475 4.352 20 5 GIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)cc1F ZINC000061558165 823603845 /nfs/dbraw/zinc/60/38/45/823603845.db2.gz PPHKZRKHZGGYOY-SNVBAGLBSA-N 1 0 383.217 4.356 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000124624336 823612153 /nfs/dbraw/zinc/61/21/53/823612153.db2.gz IPGFNDFEPAOMKS-INIZCTEOSA-N 1 0 398.850 4.411 20 5 GIBDRO COc1cccc(OC)c1OC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000125265738 823663528 /nfs/dbraw/zinc/66/35/28/823663528.db2.gz QRRWCBLJQXDYMB-OAHLLOKOSA-N 1 0 386.448 4.216 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000191355234 823675718 /nfs/dbraw/zinc/67/57/18/823675718.db2.gz BEZGPVMHYPVUHO-MJGOQNOKSA-N 1 0 378.432 4.146 20 5 GIBDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000191632983 823720041 /nfs/dbraw/zinc/72/00/41/823720041.db2.gz PNMWPIVAAXIBEV-UHFFFAOYSA-N 1 0 394.431 4.033 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000574587265 823772889 /nfs/dbraw/zinc/77/28/89/823772889.db2.gz XKZZSJLOZGNGIL-MRXNPFEDSA-N 1 0 399.413 4.286 20 5 GIBDRO Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461968765 823776283 /nfs/dbraw/zinc/77/62/83/823776283.db2.gz SPWYJWSHMPUNSV-UHFFFAOYSA-N 1 0 389.418 4.223 20 5 GIBDRO COc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000164375552 823798925 /nfs/dbraw/zinc/79/89/25/823798925.db2.gz GUVQTHONMYHEFR-HXUWFJFHSA-N 1 0 383.448 4.078 20 5 GIBDRO Cc1ccc([C@@H](C)NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000164539562 823807731 /nfs/dbraw/zinc/80/77/31/823807731.db2.gz JOCBFNMTAPINJA-GOSISDBHSA-N 1 0 395.503 4.383 20 5 GIBDRO CC(C)c1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1[N+](=O)[O-] ZINC000413898078 823862368 /nfs/dbraw/zinc/86/23/68/823862368.db2.gz GBNORWGVPRCIQT-UHFFFAOYSA-N 1 0 389.427 4.050 20 5 GIBDRO COc1ccc(C[NH2+][C@H]2CS[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414495471 823995385 /nfs/dbraw/zinc/99/53/85/823995385.db2.gz BPGCKNDTWAJGJL-RHSMWYFYSA-N 1 0 388.489 4.166 20 5 GIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(OC)cc1 ZINC000170913206 824004124 /nfs/dbraw/zinc/00/41/24/824004124.db2.gz BHVNVZKPCGZFHU-UHFFFAOYSA-N 1 0 381.432 4.323 20 5 GIBDRO CCOc1cc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OCC ZINC000414764620 824034346 /nfs/dbraw/zinc/03/43/46/824034346.db2.gz YRGCQGZXZYKRSS-LBPRGKRZSA-N 1 0 388.424 4.056 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CCOCC3)o2)c(Br)c1 ZINC000171052132 824048277 /nfs/dbraw/zinc/04/82/77/824048277.db2.gz ABPHBIZZAZZNBB-UHFFFAOYSA-N 1 0 395.253 4.134 20 5 GIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627812 719070714 /nfs/dbraw/zinc/07/07/14/719070714.db2.gz QWCYGSJYIWERDP-WMZOPIPTSA-N 1 0 386.883 4.052 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164622874 719071156 /nfs/dbraw/zinc/07/11/56/719071156.db2.gz JDWKIGXUGBBZGP-SJLPKXTDSA-N 1 0 386.883 4.052 20 5 GIBDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000120995383 823099433 /nfs/dbraw/zinc/09/94/33/823099433.db2.gz RZTRRIGQBPRJGE-LSDHHAIUSA-N 1 0 376.478 4.170 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000056196944 823100805 /nfs/dbraw/zinc/10/08/05/823100805.db2.gz KZGDQBNNUKQGIE-NEPJUHHUSA-N 1 0 381.354 4.291 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000056196777 823100877 /nfs/dbraw/zinc/10/08/77/823100877.db2.gz HKSGGEBYVJPXEO-NEPJUHHUSA-N 1 0 381.354 4.291 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000121244479 823146337 /nfs/dbraw/zinc/14/63/37/823146337.db2.gz AYCKNDBGZHJNSQ-KRWDZBQOSA-N 1 0 387.436 4.142 20 5 GIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 ZINC000188020004 823173129 /nfs/dbraw/zinc/17/31/29/823173129.db2.gz IKODEXPYGQXKCQ-UHFFFAOYSA-N 1 0 387.505 4.089 20 5 GIBDRO CSc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000188066365 823181104 /nfs/dbraw/zinc/18/11/04/823181104.db2.gz UMHAZXHWHOBUJN-UHFFFAOYSA-N 1 0 399.516 4.020 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188509755 823253445 /nfs/dbraw/zinc/25/34/45/823253445.db2.gz MJCQMSIOZVUERS-FUHWJXTLSA-N 1 0 399.457 4.170 20 5 GIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c(C(F)(F)F)c1 ZINC000057139227 823253921 /nfs/dbraw/zinc/25/39/21/823253921.db2.gz HWQLHBWPODYDHR-UHFFFAOYSA-N 1 0 380.370 4.085 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000007686425 817894883 /nfs/dbraw/zinc/89/48/83/817894883.db2.gz PGFILJMAICPPDY-SFHVURJKSA-N 1 0 375.856 4.061 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000008269405 818027226 /nfs/dbraw/zinc/02/72/26/818027226.db2.gz NVLWODZHYVEJCN-CQSZACIVSA-N 1 0 379.416 4.046 20 5 GIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000011047052 818047932 /nfs/dbraw/zinc/04/79/32/818047932.db2.gz UNWJSTURQQBKEP-BLLLJJGKSA-N 1 0 391.855 4.325 20 5 GIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000011102293 818051840 /nfs/dbraw/zinc/05/18/40/818051840.db2.gz GPTXYYSGYPCTST-YJYMSZOUSA-N 1 0 389.427 4.056 20 5 GIBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc21 ZINC000176886880 823317712 /nfs/dbraw/zinc/31/77/12/823317712.db2.gz VHALFHVLZKBMCE-UHFFFAOYSA-N 1 0 386.839 4.017 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000122340594 823340907 /nfs/dbraw/zinc/34/09/07/823340907.db2.gz GVMBHVANFVUFGR-QGZVFWFLSA-N 1 0 382.508 4.289 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019538789 818594013 /nfs/dbraw/zinc/59/40/13/818594013.db2.gz ZASXAJKPWDWOBJ-QFIPXVFZSA-N 1 0 389.455 4.415 20 5 GIBDRO O=C(C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1)N1CCCC1 ZINC000122459006 823357455 /nfs/dbraw/zinc/35/74/55/823357455.db2.gz UZQXGKUBTSVXFU-UHFFFAOYSA-N 1 0 399.516 4.158 20 5 GIBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000189116697 823360142 /nfs/dbraw/zinc/36/01/42/823360142.db2.gz PAEFBVVETIGIGI-QWRGUYRKSA-N 1 0 383.242 4.130 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)o1 ZINC000189462239 823422126 /nfs/dbraw/zinc/42/21/26/823422126.db2.gz ILGUERYGGWISJQ-UHFFFAOYSA-N 1 0 397.397 4.219 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026225764 820071635 /nfs/dbraw/zinc/07/16/35/820071635.db2.gz AQIOUKQGNCCQMG-UHFFFAOYSA-N 1 0 395.381 4.383 20 5 GIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000058825283 823459608 /nfs/dbraw/zinc/45/96/08/823459608.db2.gz XZBFQCODFOZEBJ-UHFFFAOYSA-N 1 0 390.509 4.341 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000189629202 823462486 /nfs/dbraw/zinc/46/24/86/823462486.db2.gz ADBBNQJYFCMWKY-RDTXWAMCSA-N 1 0 398.381 4.428 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(OCC4CCCC4)CC3)o2)c1 ZINC000177478055 823472075 /nfs/dbraw/zinc/47/20/75/823472075.db2.gz LLWVAVWBXWGPHH-UHFFFAOYSA-N 1 0 399.491 4.464 20 5 GIBDRO Cc1sc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058949475 823474273 /nfs/dbraw/zinc/47/42/73/823474273.db2.gz IDBFASVOFRQWHL-AWEZNQCLSA-N 1 0 387.505 4.127 20 5 GIBDRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000058952500 823474977 /nfs/dbraw/zinc/47/49/77/823474977.db2.gz OCNOKHARTWONKR-MRXNPFEDSA-N 1 0 381.476 4.208 20 5 GIBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189794624 823495894 /nfs/dbraw/zinc/49/58/94/823495894.db2.gz JPHCNPFWMZTXPM-UHFFFAOYSA-N 1 0 375.513 4.302 20 5 GIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000410587692 823505443 /nfs/dbraw/zinc/50/54/43/823505443.db2.gz ICSLSEMCPZSGQW-UHFFFAOYSA-N 1 0 381.476 4.415 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000460745498 823502645 /nfs/dbraw/zinc/50/26/45/823502645.db2.gz CCMRCYBSPFEYQW-HDICACEKSA-N 1 0 395.503 4.311 20 5 GIBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031621328 820835740 /nfs/dbraw/zinc/83/57/40/820835740.db2.gz ZFZGAXLVKJPDAX-UHFFFAOYSA-N 1 0 394.475 4.407 20 5 GIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032463599 820950056 /nfs/dbraw/zinc/95/00/56/820950056.db2.gz DNJUHBZBDQSFJR-UHFFFAOYSA-N 1 0 395.484 4.335 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccsc1 ZINC000043149331 821368730 /nfs/dbraw/zinc/36/87/30/821368730.db2.gz IMTXGUKPWQZTHT-QGZVFWFLSA-N 1 0 376.482 4.169 20 5 GIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000180688849 821395852 /nfs/dbraw/zinc/39/58/52/821395852.db2.gz QXAPKWVWIWGSGD-FZKQIMNGSA-N 1 0 382.382 4.258 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000180760070 821439197 /nfs/dbraw/zinc/43/91/97/821439197.db2.gz NQCKJCFRVIDUAQ-UHFFFAOYSA-N 1 0 386.496 4.050 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000180924893 821540891 /nfs/dbraw/zinc/54/08/91/821540891.db2.gz COCJXKIVBRHKKR-CVEARBPZSA-N 1 0 390.443 4.335 20 5 GIBDRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000044877247 821676297 /nfs/dbraw/zinc/67/62/97/821676297.db2.gz DEFBSWIDKQLTLQ-MRXNPFEDSA-N 1 0 381.476 4.065 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181284517 821734465 /nfs/dbraw/zinc/73/44/65/821734465.db2.gz SGLTUXBFHUAKKI-HOTGVXAUSA-N 1 0 390.443 4.335 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181317311 821755298 /nfs/dbraw/zinc/75/52/98/821755298.db2.gz ZTZFSPIUJSHFCA-HOTGVXAUSA-N 1 0 390.443 4.335 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181391477 821802109 /nfs/dbraw/zinc/80/21/09/821802109.db2.gz DKLFIDKEWPNOMG-LRDDRELGSA-N 1 0 379.254 4.050 20 5 GIBDRO CC[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181400574 821807384 /nfs/dbraw/zinc/80/73/84/821807384.db2.gz VLSCIUHAIOWLRP-SJORKVTESA-N 1 0 379.254 4.132 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181732720 821966699 /nfs/dbraw/zinc/96/66/99/821966699.db2.gz GOZFYJUZVAFWBV-LLVKDONJSA-N 1 0 395.818 4.075 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000182867345 822382341 /nfs/dbraw/zinc/38/23/41/822382341.db2.gz ATTANUJTIITRIP-HNNXBMFYSA-N 1 0 385.439 4.454 20 5 GIBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(F)(F)F ZINC000178646358 822399162 /nfs/dbraw/zinc/39/91/62/822399162.db2.gz IQJWBUNIUIHVPF-GFCCVEGCSA-N 1 0 384.354 4.395 20 5 GIBDRO CN1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000179045213 822433195 /nfs/dbraw/zinc/43/31/95/822433195.db2.gz MDWUSYXTDJUMPN-UXHICEINSA-N 1 0 394.500 4.253 20 5 GIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2C1 ZINC000183393090 822467740 /nfs/dbraw/zinc/46/77/40/822467740.db2.gz RFWLNFJPQPOIKZ-CQSZACIVSA-N 1 0 385.439 4.448 20 5 GIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183453816 822477283 /nfs/dbraw/zinc/47/72/83/822477283.db2.gz MLUGOJVFJASIGU-UHFFFAOYSA-N 1 0 393.896 4.349 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000183629304 822503415 /nfs/dbraw/zinc/50/34/15/822503415.db2.gz QHQFBKMBMWJGJT-ZIAGYGMSSA-N 1 0 397.431 4.336 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179589298 822507887 /nfs/dbraw/zinc/50/78/87/822507887.db2.gz FQBXLPXZZCQCKD-OLZOCXBDSA-N 1 0 393.390 4.182 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCN(c4nccs4)CC3)o2)cc1 ZINC000179608424 822512050 /nfs/dbraw/zinc/51/20/50/822512050.db2.gz PNSGJWUFVFVYLD-UHFFFAOYSA-N 1 0 384.461 4.024 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000046794795 822517809 /nfs/dbraw/zinc/51/78/09/822517809.db2.gz OYZNCNFGCLSGSF-KRWDZBQOSA-N 1 0 381.476 4.208 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c(Cl)c1 ZINC000183735073 822518799 /nfs/dbraw/zinc/51/87/99/822518799.db2.gz OOHHJFMDTSYXGL-UHFFFAOYSA-N 1 0 375.787 4.375 20 5 GIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000179663789 822522839 /nfs/dbraw/zinc/52/28/39/822522839.db2.gz NGTHMCMIFMKDIP-CYBMUJFWSA-N 1 0 391.855 4.325 20 5 GIBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047187690 822552612 /nfs/dbraw/zinc/55/26/12/822552612.db2.gz LFXGMTIIQGLAPS-AWEZNQCLSA-N 1 0 375.494 4.194 20 5 GIBDRO COc1cccc(F)c1[C@@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179900845 822573736 /nfs/dbraw/zinc/57/37/36/822573736.db2.gz ZBDMVWFFMCJWKV-CYBMUJFWSA-N 1 0 385.395 4.291 20 5 GIBDRO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000455090968 822587792 /nfs/dbraw/zinc/58/77/92/822587792.db2.gz HKBUNVJHDDGTFD-KRWDZBQOSA-N 1 0 396.491 4.141 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184486438 822644099 /nfs/dbraw/zinc/64/40/99/822644099.db2.gz HITXLZMWWVFEAP-CYBMUJFWSA-N 1 0 390.509 4.337 20 5 GIBDRO Cc1ccc(N[C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000184657570 822671855 /nfs/dbraw/zinc/67/18/55/822671855.db2.gz LEFSVOVUBXVXDU-KRWDZBQOSA-N 1 0 398.507 4.227 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000180407565 822676669 /nfs/dbraw/zinc/67/66/69/822676669.db2.gz RUHFICDPYVZKTQ-QGZVFWFLSA-N 1 0 381.476 4.380 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180438517 822682135 /nfs/dbraw/zinc/68/21/35/822682135.db2.gz MCELFIQRDWKEIX-ACJLOTCBSA-N 1 0 375.494 4.211 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000180454544 822685259 /nfs/dbraw/zinc/68/52/59/822685259.db2.gz MLRNLICGZNIDEK-JOCHJYFZSA-N 1 0 385.427 4.055 20 5 GIBDRO C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000185323817 822766059 /nfs/dbraw/zinc/76/60/59/822766059.db2.gz SIBOCVSBJJKIHW-OAHLLOKOSA-N 1 0 385.439 4.114 20 5 GIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456251728 822790234 /nfs/dbraw/zinc/79/02/34/822790234.db2.gz AGPVEUXFZACMAS-DJJJIMSYSA-N 1 0 385.489 4.263 20 5 GIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)cc1 ZINC000174674282 822821727 /nfs/dbraw/zinc/82/17/27/822821727.db2.gz QTGZGGRLGABMGM-UHFFFAOYSA-N 1 0 398.463 4.005 20 5 GIBDRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000053123211 822822743 /nfs/dbraw/zinc/82/27/43/822822743.db2.gz ANEUIVADQAUJKY-UHFFFAOYSA-N 1 0 386.290 4.100 20 5 GIBDRO C[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000185844572 822826768 /nfs/dbraw/zinc/82/67/68/822826768.db2.gz JCDUXDASABEQSB-CABCVRRESA-N 1 0 387.455 4.083 20 5 GIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054355287 822877951 /nfs/dbraw/zinc/87/79/51/822877951.db2.gz SSICTZOEIGNTQL-ZFWWWQNUSA-N 1 0 388.855 4.205 20 5 GIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000054533067 822893618 /nfs/dbraw/zinc/89/36/18/822893618.db2.gz OKMGJAYIFPIBCP-UHFFFAOYSA-N 1 0 376.482 4.032 20 5 GIBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000175216987 822906839 /nfs/dbraw/zinc/90/68/39/822906839.db2.gz XXAAQRFBDDSZDY-NRFANRHFSA-N 1 0 388.439 4.078 20 5 GIBDRO CSc1cccc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1[N+](=O)[O-] ZINC000186540290 822910701 /nfs/dbraw/zinc/91/07/01/822910701.db2.gz LNOZNDIOSLTZLS-UHFFFAOYSA-N 1 0 398.488 4.085 20 5 GIBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc2NC1=O ZINC000569378685 822913353 /nfs/dbraw/zinc/91/33/53/822913353.db2.gz YOTPHCIZSIRNLX-MOFZMDFASA-N 1 0 381.432 4.042 20 5 GIBDRO CSc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000186735774 822947291 /nfs/dbraw/zinc/94/72/91/822947291.db2.gz MWYLKWVCIWUQIV-WBVHZDCISA-N 1 0 399.516 4.100 20 5 GIBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000569722919 822959104 /nfs/dbraw/zinc/95/91/04/822959104.db2.gz HMNISRNCKCFQCD-OAHLLOKOSA-N 1 0 375.856 4.082 20 5 GIBDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415355 822963483 /nfs/dbraw/zinc/96/34/83/822963483.db2.gz YPAOXOOXOKVQBP-FUHIMQAGSA-N 1 0 396.491 4.008 20 5 GIBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150973 823010621 /nfs/dbraw/zinc/01/06/21/823010621.db2.gz PKRAPHOPMHUTGA-IDCXYZFESA-N 1 0 399.491 4.401 20 5 GIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccn(-c3ccc(F)cc3)n1)CCC2 ZINC000570272307 823021707 /nfs/dbraw/zinc/02/17/07/823021707.db2.gz CTISPVCJMFKFCI-NRFANRHFSA-N 1 0 380.423 4.129 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175705293 823024251 /nfs/dbraw/zinc/02/42/51/823024251.db2.gz KJRIUPGBHOGHPA-RYUDHWBXSA-N 1 0 397.353 4.171 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175705335 823024275 /nfs/dbraw/zinc/02/42/75/823024275.db2.gz KJRIUPGBHOGHPA-NWDGAFQWSA-N 1 0 397.353 4.171 20 5 GIBDRO CCOc1ccccc1NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000177915008 823545578 /nfs/dbraw/zinc/54/55/78/823545578.db2.gz QYYDXGVWAPJANH-UHFFFAOYSA-N 1 0 385.464 4.233 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190176477 823546726 /nfs/dbraw/zinc/54/67/26/823546726.db2.gz PPENBDIDLFMWCS-HNNXBMFYSA-N 1 0 387.402 4.142 20 5 GIBDRO O=C(CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411369955 823566957 /nfs/dbraw/zinc/56/69/57/823566957.db2.gz ZJAMTJSDTBGDJF-UHFFFAOYSA-N 1 0 393.365 4.221 20 5 GIBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1c[nH]c2ccccc12 ZINC000190496779 823581205 /nfs/dbraw/zinc/58/12/05/823581205.db2.gz UKXZSPVABYSUGC-UHFFFAOYSA-N 1 0 380.448 4.235 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2ccccn2)cc1 ZINC000061555049 823603474 /nfs/dbraw/zinc/60/34/74/823603474.db2.gz KGIQJDMLOPREKJ-UHFFFAOYSA-N 1 0 399.454 4.175 20 5 GIBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000125051165 823648278 /nfs/dbraw/zinc/64/82/78/823648278.db2.gz AZWOLBRTLUPXNF-UHFFFAOYSA-N 1 0 391.537 4.234 20 5 GIBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000063722555 823691484 /nfs/dbraw/zinc/69/14/84/823691484.db2.gz BTRTZUJJVCIOHK-UHFFFAOYSA-N 1 0 397.475 4.334 20 5 GIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(-n2cc(Cl)cn2)n1 ZINC000191529341 823695944 /nfs/dbraw/zinc/69/59/44/823695944.db2.gz ABMXZXXSDVBHQM-CQSZACIVSA-N 1 0 385.855 4.297 20 5 GIBDRO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000191565759 823700749 /nfs/dbraw/zinc/70/07/49/823700749.db2.gz CPWKJKATJIZXIA-GJZGRUSLSA-N 1 0 396.447 4.325 20 5 GIBDRO Cc1cc(N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413531769 823793325 /nfs/dbraw/zinc/79/33/25/823793325.db2.gz MWVMGYCIOKSABE-QFIPXVFZSA-N 1 0 389.411 4.066 20 5 GIBDRO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1OC(F)F ZINC000462089575 823824873 /nfs/dbraw/zinc/82/48/73/823824873.db2.gz BKZDKAMTRQKODW-MRXNPFEDSA-N 1 0 377.391 4.445 20 5 GIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cccc1[N+](=O)[O-] ZINC000165010236 823829916 /nfs/dbraw/zinc/82/99/16/823829916.db2.gz WEBLCHUDALZLHN-MRXNPFEDSA-N 1 0 393.443 4.277 20 5 GIBDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000574834889 823837954 /nfs/dbraw/zinc/83/79/54/823837954.db2.gz RQTMAUIZQRNHNU-KFKAGJAMSA-N 1 0 399.495 4.049 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574839627 823839209 /nfs/dbraw/zinc/83/92/09/823839209.db2.gz JSNKLMWXQONRNL-OKILXGFUSA-N 1 0 387.402 4.285 20 5 GIBDRO COc1cc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000192037342 823840115 /nfs/dbraw/zinc/84/01/15/823840115.db2.gz KXXNVUMAYMCZSD-YJBOKZPZSA-N 1 0 380.803 4.016 20 5 GIBDRO CSc1nnc(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1CC(C)C ZINC000165674947 823857905 /nfs/dbraw/zinc/85/79/05/823857905.db2.gz ONKPWWCDIUOFKH-OAHLLOKOSA-N 1 0 391.541 4.156 20 5 GIBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)N(C)C ZINC000165689159 823858790 /nfs/dbraw/zinc/85/87/90/823858790.db2.gz GZQSNAYUUABPDA-JXFKEZNVSA-N 1 0 399.491 4.172 20 5 GIBDRO Cc1c([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000166172416 823871349 /nfs/dbraw/zinc/87/13/49/823871349.db2.gz RLBBNTLXYUNDPF-OAHLLOKOSA-N 1 0 389.446 4.497 20 5 GIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(OC[C@@H]2CCOC2)c1 ZINC000167191845 823888134 /nfs/dbraw/zinc/88/81/34/823888134.db2.gz HVPYWDSMCQXDJF-ZWKOTPCHSA-N 1 0 384.476 4.478 20 5 GIBDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414211851 823929862 /nfs/dbraw/zinc/92/98/62/823929862.db2.gz PMDBYCXNYHKAAO-CYBMUJFWSA-N 1 0 396.896 4.201 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575221319 823944355 /nfs/dbraw/zinc/94/43/55/823944355.db2.gz PCNWJNPACLLVRS-IBGZPJMESA-N 1 0 396.491 4.327 20 5 GIBDRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414271237 823948529 /nfs/dbraw/zinc/94/85/29/823948529.db2.gz WGSFWKNVBQXIPU-CYBMUJFWSA-N 1 0 396.534 4.187 20 5 GIBDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000126798843 823953987 /nfs/dbraw/zinc/95/39/87/823953987.db2.gz FNQLYCKAZCMZRM-MRXNPFEDSA-N 1 0 399.491 4.228 20 5 GIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000462435055 823974288 /nfs/dbraw/zinc/97/42/88/823974288.db2.gz DHWIUJOVVMLMQV-WIYYLYMNSA-N 1 0 393.487 4.175 20 5 GIBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414487750 823993630 /nfs/dbraw/zinc/99/36/30/823993630.db2.gz VVYCBJLVJSRZOO-GFCCVEGCSA-N 1 0 397.269 4.380 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCN(c4ccc(F)cc4)C3)cs2)c1 ZINC000414595353 824017128 /nfs/dbraw/zinc/01/71/28/824017128.db2.gz SRRILKSPJJVESU-INIZCTEOSA-N 1 0 398.463 4.226 20 5 GIBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414937611 824052179 /nfs/dbraw/zinc/05/21/79/824052179.db2.gz HWEOIIKKTAQMAH-CZUORRHYSA-N 1 0 375.856 4.128 20 5 GIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC(F)F ZINC000192638725 824053184 /nfs/dbraw/zinc/05/31/84/824053184.db2.gz PNRWAWZJCOWARB-MRXNPFEDSA-N 1 0 378.375 4.372 20 5 GIBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1Cl ZINC001165047531 721967772 /nfs/dbraw/zinc/96/77/72/721967772.db2.gz KBALGKFPYLRZAH-CYBMUJFWSA-N 1 0 388.846 4.033 20 5 GIBDRO Cn1nc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc21 ZINC000187393061 823055055 /nfs/dbraw/zinc/05/50/55/823055055.db2.gz IDMLOEYABOYERM-UHFFFAOYSA-N 1 0 376.416 4.074 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 ZINC000056196910 823100780 /nfs/dbraw/zinc/10/07/80/823100780.db2.gz QFHMVQROUHKEHV-VXGBXAGGSA-N 1 0 392.253 4.035 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 ZINC000056196904 823100798 /nfs/dbraw/zinc/10/07/98/823100798.db2.gz QFHMVQROUHKEHV-RYUDHWBXSA-N 1 0 392.253 4.035 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 ZINC000056197404 823101062 /nfs/dbraw/zinc/10/10/62/823101062.db2.gz JDHCMZSLWHETCO-RYUDHWBXSA-N 1 0 392.253 4.035 20 5 GIBDRO CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000121222239 823141491 /nfs/dbraw/zinc/14/14/91/823141491.db2.gz ATBGUPYLWKFFSF-RDJZCZTQSA-N 1 0 393.553 4.145 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000056399627 823143482 /nfs/dbraw/zinc/14/34/82/823143482.db2.gz QNMQILQYSMASJH-KBXCAEBGSA-N 1 0 390.509 4.100 20 5 GIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121253281 823148467 /nfs/dbraw/zinc/14/84/67/823148467.db2.gz VIXJBVXWIMHQDD-MRXNPFEDSA-N 1 0 385.420 4.103 20 5 GIBDRO O=c1cc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000188105842 823187225 /nfs/dbraw/zinc/18/72/25/823187225.db2.gz AKOPNUVNNUZICZ-ICSRJNTNSA-N 1 0 391.492 4.216 20 5 GIBDRO CSc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000188131272 823191482 /nfs/dbraw/zinc/19/14/82/823191482.db2.gz YDGMPCBUMYZEKW-INIZCTEOSA-N 1 0 391.537 4.045 20 5 GIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCc4[nH]c(=O)ccc43)o2)c([N+](=O)[O-])c1 ZINC000409480927 823230867 /nfs/dbraw/zinc/23/08/67/823230867.db2.gz YLEIBURXVMOYTO-KRWDZBQOSA-N 1 0 395.415 4.131 20 5 GIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459680161 823249298 /nfs/dbraw/zinc/24/92/98/823249298.db2.gz UYZVMRIAVLGKQQ-RTBURBONSA-N 1 0 378.432 4.413 20 5 GIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007945760 817966377 /nfs/dbraw/zinc/96/63/77/817966377.db2.gz RYBNAFSHPAQACW-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000011102291 818051873 /nfs/dbraw/zinc/05/18/73/818051873.db2.gz GPTXYYSGYPCTST-ORAYPTAESA-N 1 0 389.427 4.056 20 5 GIBDRO CSc1cccc(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1[N+](=O)[O-] ZINC000188910153 823326973 /nfs/dbraw/zinc/32/69/73/823326973.db2.gz GNFLDFCBMIMFDS-UHFFFAOYSA-N 1 0 387.505 4.087 20 5 GIBDRO O=[N+]([O-])c1ccc(NC(=S)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000016315747 818422586 /nfs/dbraw/zinc/42/25/86/818422586.db2.gz QNIXGUGXKBHZFX-UHFFFAOYSA-N 1 0 376.526 4.070 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000016474654 818447074 /nfs/dbraw/zinc/44/70/74/818447074.db2.gz CDSTYOYLSPHXPQ-UHFFFAOYSA-N 1 0 378.432 4.100 20 5 GIBDRO Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cccc1[N+](=O)[O-] ZINC000122341217 823340851 /nfs/dbraw/zinc/34/08/51/823340851.db2.gz SCBZGMYRMNLABJ-KRWDZBQOSA-N 1 0 382.508 4.289 20 5 GIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000019625723 818596463 /nfs/dbraw/zinc/59/64/63/818596463.db2.gz KPASGTLWUJIXLY-YVEFUNNKSA-N 1 0 391.855 4.325 20 5 GIBDRO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000024733392 819869762 /nfs/dbraw/zinc/86/97/62/819869762.db2.gz LANSRDNQEUKVDL-HXUWFJFHSA-N 1 0 375.428 4.107 20 5 GIBDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000123091254 823460812 /nfs/dbraw/zinc/46/08/12/823460812.db2.gz UZXJNRYAHUJHOV-UHFFFAOYSA-N 1 0 384.867 4.400 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@]3(O)CCC[C@@H](C(F)(F)F)C3)o2)c1 ZINC000189629094 823462417 /nfs/dbraw/zinc/46/24/17/823462417.db2.gz WZGGLJQOHZGWPY-KDOFPFPSSA-N 1 0 398.381 4.428 20 5 GIBDRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000058952305 823474956 /nfs/dbraw/zinc/47/49/56/823474956.db2.gz VQNNSTDRDIKRBJ-MRXNPFEDSA-N 1 0 381.476 4.065 20 5 GIBDRO CC(C)CCSc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000029090861 820391545 /nfs/dbraw/zinc/39/15/45/820391545.db2.gz IBAWOEBDGZISBB-UHFFFAOYSA-N 1 0 391.537 4.090 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000030959023 820711702 /nfs/dbraw/zinc/71/17/02/820711702.db2.gz WCVHULUNRQUYCZ-UHFFFAOYSA-N 1 0 385.464 4.187 20 5 GIBDRO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000123533560 823518441 /nfs/dbraw/zinc/51/84/41/823518441.db2.gz IWWONPJFBYFDIK-UHFFFAOYSA-N 1 0 387.505 4.014 20 5 GIBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190026252 823527984 /nfs/dbraw/zinc/52/79/84/823527984.db2.gz DHDGXSZUKOAIIL-WMZOPIPTSA-N 1 0 375.494 4.446 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000043149615 821368805 /nfs/dbraw/zinc/36/88/05/821368805.db2.gz ZVNGXJKRFFYUDR-UHFFFAOYSA-N 1 0 382.464 4.211 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000043303413 821388548 /nfs/dbraw/zinc/38/85/48/821388548.db2.gz GIWURZJCACGEAD-GJZGRUSLSA-N 1 0 393.443 4.434 20 5 GIBDRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000180713528 821412243 /nfs/dbraw/zinc/41/22/43/821412243.db2.gz PEJLYQWJIHLTRL-STQMWFEESA-N 1 0 391.855 4.325 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2ccccc2)c1 ZINC000180748497 821432293 /nfs/dbraw/zinc/43/22/93/821432293.db2.gz RZZMIBCNAINKJQ-NQIIRXRSSA-N 1 0 392.434 4.087 20 5 GIBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180862245 821500148 /nfs/dbraw/zinc/50/01/48/821500148.db2.gz WYERUOCTMALSDG-QWHCGFSZSA-N 1 0 380.876 4.023 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] ZINC000181008251 821589825 /nfs/dbraw/zinc/58/98/25/821589825.db2.gz NHXVUCVTRWFCID-AWEZNQCLSA-N 1 0 398.488 4.405 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181391511 821802036 /nfs/dbraw/zinc/80/20/36/821802036.db2.gz DKLFIDKEWPNOMG-BLLLJJGKSA-N 1 0 379.254 4.050 20 5 GIBDRO C[C@@H](c1ccncc1)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000181587369 821891750 /nfs/dbraw/zinc/89/17/50/821891750.db2.gz NWYODLNOZUDZKQ-HTAPYJJXSA-N 1 0 394.519 4.126 20 5 GIBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664845 821931862 /nfs/dbraw/zinc/93/18/62/821931862.db2.gz MRFIIXSHVBDJNH-KGLIPLIRSA-N 1 0 387.505 4.192 20 5 GIBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181667157 821933502 /nfs/dbraw/zinc/93/35/02/821933502.db2.gz MBNBSTNTNNWSID-SFHVURJKSA-N 1 0 384.411 4.141 20 5 GIBDRO CCC[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181799512 821997678 /nfs/dbraw/zinc/99/76/78/821997678.db2.gz XIFWXZPPOANFGL-GHTZIAJQSA-N 1 0 381.476 4.074 20 5 GIBDRO CCC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000181848842 822016266 /nfs/dbraw/zinc/01/62/66/822016266.db2.gz OSCBUFPMPYMLEE-INIZCTEOSA-N 1 0 395.381 4.344 20 5 GIBDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000182120285 822102818 /nfs/dbraw/zinc/10/28/18/822102818.db2.gz QBYMVEDFUZAHHW-CYBMUJFWSA-N 1 0 389.477 4.005 20 5 GIBDRO COc1cc(C[NH2+]C2(c3ccccc3)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182575666 822309367 /nfs/dbraw/zinc/30/93/67/822309367.db2.gz KPTJWIFTLDMRPX-UHFFFAOYSA-N 1 0 392.402 4.416 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC(C)(C)C ZINC000178093107 822316175 /nfs/dbraw/zinc/31/61/75/822316175.db2.gz FZEKCVYMSQYVPM-STQMWFEESA-N 1 0 375.494 4.277 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178198490 822349997 /nfs/dbraw/zinc/34/99/97/822349997.db2.gz PINAODMXGRXSSZ-OAHLLOKOSA-N 1 0 387.505 4.377 20 5 GIBDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c(C)o1 ZINC000182740937 822360579 /nfs/dbraw/zinc/36/05/79/822360579.db2.gz JHPRGDGSZZAJRI-HNNXBMFYSA-N 1 0 385.464 4.068 20 5 GIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453577103 822386984 /nfs/dbraw/zinc/38/69/84/822386984.db2.gz RRRPDFBPKJMGMA-UHFFFAOYSA-N 1 0 382.460 4.058 20 5 GIBDRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178647794 822399441 /nfs/dbraw/zinc/39/94/41/822399441.db2.gz KXLQJEALDYLDGV-AWEZNQCLSA-N 1 0 375.419 4.188 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000178682152 822402498 /nfs/dbraw/zinc/40/24/98/822402498.db2.gz DPKMLKHCMXWFCI-QWHCGFSZSA-N 1 0 393.390 4.182 20 5 GIBDRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178683153 822402678 /nfs/dbraw/zinc/40/26/78/822402678.db2.gz UWLQFXRYWSFBSV-STQMWFEESA-N 1 0 391.855 4.243 20 5 GIBDRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000454199342 822438012 /nfs/dbraw/zinc/43/80/12/822438012.db2.gz UZMDIEYUGSBZCF-KRWDZBQOSA-N 1 0 396.491 4.141 20 5 GIBDRO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000454320244 822457570 /nfs/dbraw/zinc/45/75/70/822457570.db2.gz RKHSSCDBVFGHNK-GOSISDBHSA-N 1 0 382.464 4.068 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)o2)c(Cl)c1 ZINC000179365858 822472035 /nfs/dbraw/zinc/47/20/35/822472035.db2.gz LBXJZTNPYBYICP-ZDUSSCGKSA-N 1 0 392.839 4.093 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000179501437 822492281 /nfs/dbraw/zinc/49/22/81/822492281.db2.gz DSPKBDGIPVFKBI-IEBWSBKVSA-N 1 0 378.831 4.032 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179582985 822506796 /nfs/dbraw/zinc/50/67/96/822506796.db2.gz PLBNLXXGXVUVRQ-ZDUSSCGKSA-N 1 0 393.390 4.184 20 5 GIBDRO Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000046839606 822522918 /nfs/dbraw/zinc/52/29/18/822522918.db2.gz YPSSWUTXNHFPKQ-QGZVFWFLSA-N 1 0 381.476 4.208 20 5 GIBDRO Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000046839605 822522938 /nfs/dbraw/zinc/52/29/38/822522938.db2.gz YPSSWUTXNHFPKQ-KRWDZBQOSA-N 1 0 381.476 4.208 20 5 GIBDRO CC[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000184089388 822576010 /nfs/dbraw/zinc/57/60/10/822576010.db2.gz JQASREWCGNRIIE-GOSISDBHSA-N 1 0 384.411 4.457 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184501623 822646493 /nfs/dbraw/zinc/64/64/93/822646493.db2.gz XLYPQSGCTKQLSL-CYBMUJFWSA-N 1 0 390.509 4.337 20 5 GIBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000184521002 822650014 /nfs/dbraw/zinc/65/00/14/822650014.db2.gz WPSPNXMMPHEEPX-QVKFZJNVSA-N 1 0 399.466 4.138 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000184522581 822650420 /nfs/dbraw/zinc/65/04/20/822650420.db2.gz XBMSBRSNHIANHU-CQSZACIVSA-N 1 0 396.472 4.398 20 5 GIBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184534558 822652720 /nfs/dbraw/zinc/65/27/20/822652720.db2.gz YPCQOIUENJNNDR-VLIAUNLRSA-N 1 0 385.439 4.186 20 5 GIBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3C)oc21 ZINC000180357107 822669719 /nfs/dbraw/zinc/66/97/19/822669719.db2.gz KGFDQBHWWUFSGI-CQSZACIVSA-N 1 0 397.431 4.337 20 5 GIBDRO NC(=O)c1ccc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000180375532 822672016 /nfs/dbraw/zinc/67/20/16/822672016.db2.gz RMQPXZMGJBATDN-OAQYLSRUSA-N 1 0 389.455 4.157 20 5 GIBDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000184664746 822672625 /nfs/dbraw/zinc/67/26/25/822672625.db2.gz IHBDPFYATHWFLH-AWEZNQCLSA-N 1 0 375.856 4.372 20 5 GIBDRO Cn1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(-c2ccccc2)n1 ZINC000180420630 822678587 /nfs/dbraw/zinc/67/85/87/822678587.db2.gz WFTANQUMYNDOME-HXUWFJFHSA-N 1 0 376.460 4.106 20 5 GIBDRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180433225 822680877 /nfs/dbraw/zinc/68/08/77/822680877.db2.gz PKZMYHZESIBCTL-KKSFZXQISA-N 1 0 397.475 4.008 20 5 GIBDRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000184978312 822720957 /nfs/dbraw/zinc/72/09/57/822720957.db2.gz WHTSNEQBMFCSNQ-KRWDZBQOSA-N 1 0 381.457 4.168 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000185006550 822724506 /nfs/dbraw/zinc/72/45/06/822724506.db2.gz JDUTVBULZILWHJ-SCLBCKFNSA-N 1 0 393.484 4.098 20 5 GIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185022000 822726341 /nfs/dbraw/zinc/72/63/41/822726341.db2.gz KIIXSGCOUQCTBD-HNNXBMFYSA-N 1 0 385.439 4.380 20 5 GIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456251730 822790208 /nfs/dbraw/zinc/79/02/08/822790208.db2.gz AGPVEUXFZACMAS-ORAYPTAESA-N 1 0 385.489 4.263 20 5 GIBDRO COC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000174595266 822809771 /nfs/dbraw/zinc/80/97/71/822809771.db2.gz DYBWXJWZMBJIHH-UHFFFAOYSA-N 1 0 383.242 4.132 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000053233765 822827246 /nfs/dbraw/zinc/82/72/46/822827246.db2.gz MSDIQGTTWBOLSR-CYBMUJFWSA-N 1 0 391.855 4.278 20 5 GIBDRO COc1ccccc1C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000185887799 822830267 /nfs/dbraw/zinc/83/02/67/822830267.db2.gz SYWUMAHZGLJWRX-GOSISDBHSA-N 1 0 396.447 4.010 20 5 GIBDRO COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000053720521 822846013 /nfs/dbraw/zinc/84/60/13/822846013.db2.gz RYHAOSIFBTYFAU-HNNXBMFYSA-N 1 0 383.448 4.230 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)o1 ZINC000186441972 822896391 /nfs/dbraw/zinc/89/63/91/822896391.db2.gz HYCKYHMBEXCZTC-QFIPXVFZSA-N 1 0 376.412 4.486 20 5 GIBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000458164589 822964157 /nfs/dbraw/zinc/96/41/57/822964157.db2.gz KFUOEBATXFVZEY-MRXNPFEDSA-N 1 0 399.516 4.208 20 5 GIBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000458214298 822969744 /nfs/dbraw/zinc/96/97/44/822969744.db2.gz MLFWDQFUWWUOHZ-MRXNPFEDSA-N 1 0 399.516 4.208 20 5 GIBDRO Cc1ccc([C@H](C)NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000175634809 823010315 /nfs/dbraw/zinc/01/03/15/823010315.db2.gz OFZHZLXKHJIGIM-KRWDZBQOSA-N 1 0 396.491 4.059 20 5 GIBDRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000187225256 823027462 /nfs/dbraw/zinc/02/74/62/823027462.db2.gz FTXOXMRRDHIHCN-CQSZACIVSA-N 1 0 380.400 4.492 20 5 GIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124095410 823567129 /nfs/dbraw/zinc/56/71/29/823567129.db2.gz KUZXFNXNIKEOFB-DOTOQJQBSA-N 1 0 378.432 4.270 20 5 GIBDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000060979090 823570918 /nfs/dbraw/zinc/57/09/18/823570918.db2.gz UZIJCVXVBVHEDG-UHFFFAOYSA-N 1 0 389.455 4.123 20 5 GIBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190424874 823571976 /nfs/dbraw/zinc/57/19/76/823571976.db2.gz IEZWKLKCWHWOJI-PXNSSMCTSA-N 1 0 396.447 4.081 20 5 GIBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000461241857 823603064 /nfs/dbraw/zinc/60/30/64/823603064.db2.gz MUHIOOUKTVOOKS-UHFFFAOYSA-N 1 0 397.475 4.239 20 5 GIBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000412033934 823623577 /nfs/dbraw/zinc/62/35/77/823623577.db2.gz DAVIYXMSFBWYDL-UHFFFAOYSA-N 1 0 391.855 4.026 20 5 GIBDRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000125368972 823671170 /nfs/dbraw/zinc/67/11/70/823671170.db2.gz OQSPMCHRJRSUFA-IRLDBZIGSA-N 1 0 384.476 4.026 20 5 GIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1 ZINC000163439068 823709712 /nfs/dbraw/zinc/70/97/12/823709712.db2.gz BDBXPUWKHUUZRS-UHFFFAOYSA-N 1 0 385.489 4.473 20 5 GIBDRO COC1CCN(CC[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000163622060 823728583 /nfs/dbraw/zinc/72/85/83/823728583.db2.gz ZURIZWPMSWWUPH-OAHLLOKOSA-N 1 0 389.521 4.085 20 5 GIBDRO CCC[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000163725312 823741947 /nfs/dbraw/zinc/74/19/47/823741947.db2.gz IOJFREOIYAEBFJ-QFIPXVFZSA-N 1 0 383.492 4.058 20 5 GIBDRO Cc1cc(Nc2ccn(C3CC[NH+](C)CC3)n2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461974673 823778488 /nfs/dbraw/zinc/77/84/88/823778488.db2.gz UVKUAFUNEKJIFM-UHFFFAOYSA-N 1 0 383.374 4.129 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)C1CC1 ZINC000164248013 823789954 /nfs/dbraw/zinc/78/99/54/823789954.db2.gz OAQSUFJFCFUJPB-OAQYLSRUSA-N 1 0 390.487 4.145 20 5 GIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000574804654 823832458 /nfs/dbraw/zinc/83/24/58/823832458.db2.gz OJNWCWBEBSQZTD-SFHVURJKSA-N 1 0 381.432 4.120 20 5 GIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000165186721 823838916 /nfs/dbraw/zinc/83/89/16/823838916.db2.gz WVGVIKKNXCCQRJ-ZDUSSCGKSA-N 1 0 377.391 4.203 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000126391672 823854972 /nfs/dbraw/zinc/85/49/72/823854972.db2.gz MZGVPEKIMATRJX-IAGOWNOFSA-N 1 0 396.491 4.181 20 5 GIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1F ZINC000192085950 823855268 /nfs/dbraw/zinc/85/52/68/823855268.db2.gz GRBVFJXEHSLSTL-CRAIPNDOSA-N 1 0 398.793 4.155 20 5 GIBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000575026910 823892509 /nfs/dbraw/zinc/89/25/09/823892509.db2.gz GTLNRLIJJREBDE-GOSISDBHSA-N 1 0 391.475 4.086 20 5 GIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000065014606 823924598 /nfs/dbraw/zinc/92/45/98/823924598.db2.gz JUVFDKYUOLZSRT-UHFFFAOYSA-N 1 0 376.338 4.089 20 5 GIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192377707 823965043 /nfs/dbraw/zinc/96/50/43/823965043.db2.gz VMBZJNAMZPIKMJ-KSSFIOAISA-N 1 0 378.375 4.064 20 5 GIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000462435054 823974229 /nfs/dbraw/zinc/97/42/29/823974229.db2.gz DHWIUJOVVMLMQV-RXVVDRJESA-N 1 0 393.487 4.175 20 5 GIBDRO COc1ccc(C[NH2+][C@H]2CS[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414495473 823995253 /nfs/dbraw/zinc/99/52/53/823995253.db2.gz BPGCKNDTWAJGJL-WMLDXEAASA-N 1 0 388.489 4.166 20 5 GIBDRO CC(C)Oc1ccc([C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000576022544 824051967 /nfs/dbraw/zinc/05/19/67/824051967.db2.gz KCHFHHNXBWPHPP-GLJAUCNMSA-N 1 0 383.492 4.288 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164622872 719070729 /nfs/dbraw/zinc/07/07/29/719070729.db2.gz JDWKIGXUGBBZGP-AEFFLSMTSA-N 1 0 386.883 4.052 20 5 GIBDRO O=[N+]([O-])c1cccc2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164624388 719074538 /nfs/dbraw/zinc/07/45/38/719074538.db2.gz LPRVWSOFJOTPJZ-TZIWHRDSSA-N 1 0 388.471 4.244 20 5 GIBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2c1 ZINC001165049741 721968111 /nfs/dbraw/zinc/96/81/11/721968111.db2.gz WJKQMBKGTGXREK-AWEZNQCLSA-N 1 0 389.887 4.036 20 5 GIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046997 721968140 /nfs/dbraw/zinc/96/81/40/721968140.db2.gz HYPGUAGITXFBOC-AWEZNQCLSA-N 1 0 389.887 4.036 20 5 GIBDRO Cc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165050174 721976675 /nfs/dbraw/zinc/97/66/75/721976675.db2.gz VKYQQVQNTQFKKE-IBGZPJMESA-N 1 0 395.507 4.205 20 5 GIBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000175831156 823050098 /nfs/dbraw/zinc/05/00/98/823050098.db2.gz GVTKXOPIWSORBT-WMZOPIPTSA-N 1 0 376.478 4.013 20 5 GIBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175842497 823052883 /nfs/dbraw/zinc/05/28/83/823052883.db2.gz APNYZKYLIFICON-RDJZCZTQSA-N 1 0 376.478 4.143 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000055910175 823066033 /nfs/dbraw/zinc/06/60/33/823066033.db2.gz JLKWYKLAGISVTH-IBGZPJMESA-N 1 0 383.448 4.078 20 5 GIBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000175986411 823089095 /nfs/dbraw/zinc/08/90/95/823089095.db2.gz ALIYGSPKQBPUQS-UHFFFAOYSA-N 1 0 379.254 4.391 20 5 GIBDRO CC[N@H+](Cc1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1)C1CC1 ZINC000120950707 823091639 /nfs/dbraw/zinc/09/16/39/823091639.db2.gz SPPUDAUGFMXGDY-UHFFFAOYSA-N 1 0 379.460 4.172 20 5 GIBDRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196560 823100763 /nfs/dbraw/zinc/10/07/63/823100763.db2.gz VNLFZBBHRYQCNH-CHWSQXEVSA-N 1 0 391.855 4.243 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000056196945 823100842 /nfs/dbraw/zinc/10/08/42/823100842.db2.gz KZGDQBNNUKQGIE-NWDGAFQWSA-N 1 0 381.354 4.291 20 5 GIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000056327269 823128921 /nfs/dbraw/zinc/12/89/21/823128921.db2.gz OJQXMYQHKLXNRM-UHFFFAOYSA-N 1 0 385.489 4.207 20 5 GIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1 ZINC000571087174 823130488 /nfs/dbraw/zinc/13/04/88/823130488.db2.gz UTFKRZFSVQOXGL-UHFFFAOYSA-N 1 0 379.526 4.043 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000460112512 823286641 /nfs/dbraw/zinc/28/66/41/823286641.db2.gz TUIIEQQBRDERMP-MJGOQNOKSA-N 1 0 381.476 4.028 20 5 GIBDRO COCc1ccccc1/C=C(\C)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572386780 823330927 /nfs/dbraw/zinc/33/09/27/823330927.db2.gz BWLBYLDPTJOBPE-LFIBNONCSA-N 1 0 379.460 4.458 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023994727 819004419 /nfs/dbraw/zinc/00/44/19/819004419.db2.gz OWNHXSKWTCFYHO-RYUDHWBXSA-N 1 0 392.253 4.035 20 5 GIBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000410090684 823388070 /nfs/dbraw/zinc/38/80/70/823388070.db2.gz PBJFILYMFORVNY-UHFFFAOYSA-N 1 0 392.459 4.357 20 5 GIBDRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000572795409 823400169 /nfs/dbraw/zinc/40/01/69/823400169.db2.gz HFLQKBXODDCFPT-QGZVFWFLSA-N 1 0 387.524 4.059 20 5 GIBDRO COc1cc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000058527716 823404292 /nfs/dbraw/zinc/40/42/92/823404292.db2.gz FIBHJPZYNZSBRA-UHFFFAOYSA-N 1 0 376.478 4.226 20 5 GIBDRO CCS[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189505286 823433163 /nfs/dbraw/zinc/43/31/63/823433163.db2.gz WKLBYUWXXYJRPQ-MAZHCROVSA-N 1 0 376.482 4.360 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)o2)cc1 ZINC000122969820 823441819 /nfs/dbraw/zinc/44/18/19/823441819.db2.gz SXCRNCVRPDXXNE-HXUWFJFHSA-N 1 0 386.448 4.015 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000058824186 823459610 /nfs/dbraw/zinc/45/96/10/823459610.db2.gz ZOAGEQZJAPAZBQ-KRWDZBQOSA-N 1 0 376.482 4.169 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000058949258 823474293 /nfs/dbraw/zinc/47/42/93/823474293.db2.gz JHMRYFXTHDAUBN-INIZCTEOSA-N 1 0 381.476 4.065 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000029415573 820453174 /nfs/dbraw/zinc/45/31/74/820453174.db2.gz LEUJNWWJNAFSOL-INIZCTEOSA-N 1 0 381.885 4.123 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000029844012 820531517 /nfs/dbraw/zinc/53/15/17/820531517.db2.gz JAZHSNNKTXRRMB-MRXNPFEDSA-N 1 0 397.475 4.233 20 5 GIBDRO CC(=O)c1ccc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000030001670 820566094 /nfs/dbraw/zinc/56/60/94/820566094.db2.gz UHDIMEVMIQUQJT-HZPDHXFCSA-N 1 0 397.475 4.019 20 5 GIBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000031077611 820736287 /nfs/dbraw/zinc/73/62/87/820736287.db2.gz BAZUSEFQQUCRTK-UHFFFAOYSA-N 1 0 395.484 4.315 20 5 GIBDRO Cc1nc([C@@H]2CCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000189855930 823506596 /nfs/dbraw/zinc/50/65/96/823506596.db2.gz JCZRTFMWGKQDAJ-KRWDZBQOSA-N 1 0 384.461 4.394 20 5 GIBDRO Cc1nc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000177664994 823510338 /nfs/dbraw/zinc/51/03/38/823510338.db2.gz GFLPUJOKYYLLNJ-UHFFFAOYSA-N 1 0 390.443 4.183 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC2(CCO)CC2)cc1 ZINC000189997512 823523731 /nfs/dbraw/zinc/52/37/31/823523731.db2.gz IJUKNKSEVZAATO-UHFFFAOYSA-N 1 0 376.840 4.293 20 5 GIBDRO CCC[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000180750768 821433736 /nfs/dbraw/zinc/43/37/36/821433736.db2.gz BUHDKROCHWFKKQ-OAQYLSRUSA-N 1 0 381.476 4.348 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180832501 821486039 /nfs/dbraw/zinc/48/60/39/821486039.db2.gz ACQILKFIBHFTQJ-MRXNPFEDSA-N 1 0 380.448 4.419 20 5 GIBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000180865991 821502444 /nfs/dbraw/zinc/50/24/44/821502444.db2.gz IWRZJBDNTPXBHV-UKRRQHHQSA-N 1 0 376.840 4.243 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c2ccccc2)c1 ZINC000180968347 821561869 /nfs/dbraw/zinc/56/18/69/821561869.db2.gz UEFLAKXGBPTBND-HMXCVIKNSA-N 1 0 384.501 4.329 20 5 GIBDRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181060450 821614198 /nfs/dbraw/zinc/61/41/98/821614198.db2.gz ZFLVHLVTHXQLKL-QFIPXVFZSA-N 1 0 378.476 4.257 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000181132669 821652671 /nfs/dbraw/zinc/65/26/71/821652671.db2.gz QZSJFWMZOKBJJR-LBPRGKRZSA-N 1 0 392.253 4.037 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000181304115 821744702 /nfs/dbraw/zinc/74/47/02/821744702.db2.gz VQYWNWVATKXVMK-CVEARBPZSA-N 1 0 390.443 4.335 20 5 GIBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181392522 821802411 /nfs/dbraw/zinc/80/24/11/821802411.db2.gz YJQWRFUAJHMNOQ-MLGOLLRUSA-N 1 0 379.254 4.050 20 5 GIBDRO CC(C)(CO)[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000181553767 821878654 /nfs/dbraw/zinc/87/86/54/821878654.db2.gz JYKLOSIUFBNCNX-LEWJYISDSA-N 1 0 382.504 4.308 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000181616131 821905182 /nfs/dbraw/zinc/90/51/82/821905182.db2.gz SSMXLTLLMITWBF-LBPRGKRZSA-N 1 0 381.354 4.293 20 5 GIBDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000181755536 821977778 /nfs/dbraw/zinc/97/77/78/821977778.db2.gz NARGETYNGYDRHF-AWEZNQCLSA-N 1 0 375.494 4.136 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000181819777 822005741 /nfs/dbraw/zinc/00/57/41/822005741.db2.gz AXBIGQCMNMUBMA-LLVKDONJSA-N 1 0 382.247 4.499 20 5 GIBDRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181838130 822013406 /nfs/dbraw/zinc/01/34/06/822013406.db2.gz YGOCDBFSEUWCGK-CYBMUJFWSA-N 1 0 391.855 4.163 20 5 GIBDRO C[N@H+](Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000178159081 822336843 /nfs/dbraw/zinc/33/68/43/822336843.db2.gz KKXWKAZQAHZJRO-UHFFFAOYSA-N 1 0 382.464 4.194 20 5 GIBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178657039 822400324 /nfs/dbraw/zinc/40/03/24/822400324.db2.gz ZUOZNFPZCZWYOS-UKRRQHHQSA-N 1 0 377.391 4.126 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000179501795 822492337 /nfs/dbraw/zinc/49/23/37/822492337.db2.gz JNMYZSKPKYEARN-GTNSWQLSSA-N 1 0 382.819 4.170 20 5 GIBDRO Cc1c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000179599784 822510230 /nfs/dbraw/zinc/51/02/30/822510230.db2.gz AKMNIEOXZFCJJS-HIFRSBDPSA-N 1 0 376.482 4.064 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1 ZINC000179600441 822510542 /nfs/dbraw/zinc/51/05/42/822510542.db2.gz ZPDUUFQKKAYKQX-SNVBAGLBSA-N 1 0 399.781 4.139 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000179614021 822513067 /nfs/dbraw/zinc/51/30/67/822513067.db2.gz FFCGSIFMRBKWTB-SNVBAGLBSA-N 1 0 399.781 4.139 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1 ZINC000183739847 822519843 /nfs/dbraw/zinc/51/98/43/822519843.db2.gz RKHCRWQJFIYHPM-UHFFFAOYSA-N 1 0 393.230 4.284 20 5 GIBDRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000179663801 822522741 /nfs/dbraw/zinc/52/27/41/822522741.db2.gz NGTHMCMIFMKDIP-ZDUSSCGKSA-N 1 0 391.855 4.325 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454940605 822560443 /nfs/dbraw/zinc/56/04/43/822560443.db2.gz IVVMPPBKGWEFLP-MRXNPFEDSA-N 1 0 396.491 4.197 20 5 GIBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000184006815 822562709 /nfs/dbraw/zinc/56/27/09/822562709.db2.gz ISCYAWIWIMGVKN-INIZCTEOSA-N 1 0 389.455 4.004 20 5 GIBDRO CC(C)OCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000184158182 822587723 /nfs/dbraw/zinc/58/77/23/822587723.db2.gz SOTCXVQEQAEEPO-UHFFFAOYSA-N 1 0 383.242 4.132 20 5 GIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184173600 822590576 /nfs/dbraw/zinc/59/05/76/822590576.db2.gz RNJFYOGMRHEYTF-ZZXKWVIFSA-N 1 0 382.395 4.020 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184383539 822625743 /nfs/dbraw/zinc/62/57/43/822625743.db2.gz HFNMHPJAUHPDAM-QWHCGFSZSA-N 1 0 399.472 4.496 20 5 GIBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2C1 ZINC000184520837 822649959 /nfs/dbraw/zinc/64/99/59/822649959.db2.gz LNAJJWOPLIXAEP-VLIAUNLRSA-N 1 0 385.439 4.186 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000184535216 822652937 /nfs/dbraw/zinc/65/29/37/822652937.db2.gz MHJSEQYZKCZNCF-CQSZACIVSA-N 1 0 396.472 4.398 20 5 GIBDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184664622 822672742 /nfs/dbraw/zinc/67/27/42/822672742.db2.gz VPIHWCBJCBIWET-ZDUSSCGKSA-N 1 0 375.856 4.318 20 5 GIBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180400595 822675788 /nfs/dbraw/zinc/67/57/88/822675788.db2.gz XCUVFOLEQHDTOG-NSHDSACASA-N 1 0 381.404 4.199 20 5 GIBDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000180414045 822677676 /nfs/dbraw/zinc/67/76/76/822677676.db2.gz WTHGQJBLIRWGEK-GFCCVEGCSA-N 1 0 397.353 4.000 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)cc1 ZINC000180416649 822678106 /nfs/dbraw/zinc/67/81/06/822678106.db2.gz WPIHWKFVXQDSTR-INIZCTEOSA-N 1 0 377.238 4.361 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000180418642 822678219 /nfs/dbraw/zinc/67/82/19/822678219.db2.gz UWVYPEBWYCKBDV-OAHLLOKOSA-N 1 0 380.448 4.245 20 5 GIBDRO Cn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccccc2)n1 ZINC000180432016 822680659 /nfs/dbraw/zinc/68/06/59/822680659.db2.gz YUONAKDCQHCVTA-UHFFFAOYSA-N 1 0 392.459 4.039 20 5 GIBDRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180433264 822680919 /nfs/dbraw/zinc/68/09/19/822680919.db2.gz PKZMYHZESIBCTL-IERDGZPVSA-N 1 0 397.475 4.008 20 5 GIBDRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180433246 822680944 /nfs/dbraw/zinc/68/09/44/822680944.db2.gz PKZMYHZESIBCTL-HRAATJIYSA-N 1 0 397.475 4.008 20 5 GIBDRO C[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180438529 822682146 /nfs/dbraw/zinc/68/21/46/822682146.db2.gz MCELFIQRDWKEIX-SCLBCKFNSA-N 1 0 375.494 4.211 20 5 GIBDRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180440779 822682586 /nfs/dbraw/zinc/68/25/86/822682586.db2.gz LCQZZYXOMIUGMR-LSDHHAIUSA-N 1 0 381.432 4.211 20 5 GIBDRO C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180452146 822684928 /nfs/dbraw/zinc/68/49/28/822684928.db2.gz RTUWKDKRCKNCRU-NJSLBKSFSA-N 1 0 378.856 4.038 20 5 GIBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)c1ccsc1 ZINC000049657393 822704816 /nfs/dbraw/zinc/70/48/16/822704816.db2.gz LRONLMGGIRAHOF-FQEVSTJZSA-N 1 0 375.497 4.482 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](CCO)c2ccccc2)c2ccccc2)c1 ZINC000180607419 822711148 /nfs/dbraw/zinc/71/11/48/822711148.db2.gz XPNYGQSUBOZDPE-FYYLOGMGSA-N 1 0 376.456 4.440 20 5 GIBDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184957874 822718408 /nfs/dbraw/zinc/71/84/08/822718408.db2.gz MFXXORYBDMBLTK-SFHVURJKSA-N 1 0 395.484 4.137 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])ccc21 ZINC000456258078 822790861 /nfs/dbraw/zinc/79/08/61/822790861.db2.gz FLXCNGVZPJHSAW-MRXNPFEDSA-N 1 0 393.365 4.415 20 5 GIBDRO Cc1c(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000174476218 822794980 /nfs/dbraw/zinc/79/49/80/822794980.db2.gz BPJBUGIKFJPVIR-INIZCTEOSA-N 1 0 382.464 4.032 20 5 GIBDRO COc1ccccc1C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000185875875 822829296 /nfs/dbraw/zinc/82/92/96/822829296.db2.gz XYAOWMNLQTZVMG-SFHVURJKSA-N 1 0 396.447 4.010 20 5 GIBDRO CCc1cc(N2CCC([NH+]3CCCCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053573343 822841243 /nfs/dbraw/zinc/84/12/43/822841243.db2.gz QSZFWWIJBCXKIT-UHFFFAOYSA-N 1 0 395.507 4.069 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644341 822843619 /nfs/dbraw/zinc/84/36/19/822843619.db2.gz GSKMDOIHPWDLKX-IBGZPJMESA-N 1 0 389.427 4.058 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3Cc4ccccc4C4(CC4)C3)o2)c1 ZINC000186172322 822857900 /nfs/dbraw/zinc/85/79/00/822857900.db2.gz BPTMYGFQNRVFRD-UHFFFAOYSA-N 1 0 375.428 4.340 20 5 GIBDRO Cc1csc(C2([NH2+]CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)n1 ZINC000175018389 822868212 /nfs/dbraw/zinc/86/82/12/822868212.db2.gz FWFLISLSLWBQMM-UHFFFAOYSA-N 1 0 388.493 4.056 20 5 GIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569058950 822875124 /nfs/dbraw/zinc/87/51/24/822875124.db2.gz VQYDRZOTHMHCMR-UXHICEINSA-N 1 0 388.471 4.101 20 5 GIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(C(F)(F)F)cs1 ZINC000569148622 822883955 /nfs/dbraw/zinc/88/39/55/822883955.db2.gz CHNNJRFHUZCPSH-VIFPVBQESA-N 1 0 384.383 4.445 20 5 GIBDRO CSc1cccc(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000569253688 822897027 /nfs/dbraw/zinc/89/70/27/822897027.db2.gz VQFRZQBBFAWCOM-UHFFFAOYSA-N 1 0 391.537 4.187 20 5 GIBDRO O=c1cc(C[N@@H+]2CCSC3(CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000186809811 822959068 /nfs/dbraw/zinc/95/90/68/822959068.db2.gz GKJSFTDOMMMIPP-UHFFFAOYSA-N 1 0 381.497 4.044 20 5 GIBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000570247490 823018950 /nfs/dbraw/zinc/01/89/50/823018950.db2.gz COGALFXVTMXOFU-IAGOWNOFSA-N 1 0 397.475 4.118 20 5 GIBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000190197127 823549649 /nfs/dbraw/zinc/54/96/49/823549649.db2.gz RZUZTCCTXAWTHN-HNNXBMFYSA-N 1 0 387.402 4.142 20 5 GIBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 ZINC000060843244 823561443 /nfs/dbraw/zinc/56/14/43/823561443.db2.gz KNRCLQARVLXUKN-MRXNPFEDSA-N 1 0 399.491 4.433 20 5 GIBDRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411448810 823575527 /nfs/dbraw/zinc/57/55/27/823575527.db2.gz FOJASPRVMBKPTK-HNNXBMFYSA-N 1 0 381.354 4.207 20 5 GIBDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000061503509 823600222 /nfs/dbraw/zinc/60/02/22/823600222.db2.gz FYCDLTRJXQQWSS-UHFFFAOYSA-N 1 0 385.439 4.040 20 5 GIBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000190937313 823627069 /nfs/dbraw/zinc/62/70/69/823627069.db2.gz LQGCZWMAXFBFKX-AAEUAGOBSA-N 1 0 395.253 4.274 20 5 GIBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190951946 823629455 /nfs/dbraw/zinc/62/94/55/823629455.db2.gz FWSMKBANHQPCSL-WIYYLYMNSA-N 1 0 392.459 4.105 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000124835581 823629702 /nfs/dbraw/zinc/62/97/02/823629702.db2.gz GNRBTICVLHRXTL-STQMWFEESA-N 1 0 391.855 4.325 20 5 GIBDRO CC[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000412232501 823638147 /nfs/dbraw/zinc/63/81/47/823638147.db2.gz RSHFNHBQAFXRGW-FCHUYYIVSA-N 1 0 399.535 4.059 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619649 823683751 /nfs/dbraw/zinc/68/37/51/823683751.db2.gz REHSRPFGLFMSSK-FQEVSTJZSA-N 1 0 397.475 4.386 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000125609745 823689564 /nfs/dbraw/zinc/68/95/64/823689564.db2.gz DTUWSKCGVXTROC-SJCJKPOMSA-N 1 0 384.354 4.186 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125770845 823706673 /nfs/dbraw/zinc/70/66/73/823706673.db2.gz LOCZYFOGEWUNNQ-NWDGAFQWSA-N 1 0 397.353 4.171 20 5 GIBDRO Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461936969 823765241 /nfs/dbraw/zinc/76/52/41/823765241.db2.gz BAIGSXCOSRIKOL-UHFFFAOYSA-N 1 0 375.366 4.260 20 5 GIBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000126153846 823801040 /nfs/dbraw/zinc/80/10/40/823801040.db2.gz AUTDUQUYSJLJBX-UHFFFAOYSA-N 1 0 382.464 4.021 20 5 GIBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000126185711 823807926 /nfs/dbraw/zinc/80/79/26/823807926.db2.gz WQODMRQDNQCLSX-UHFFFAOYSA-N 1 0 382.464 4.021 20 5 GIBDRO CCC[C@@H]([NH2+]C1CCN(C(=O)C(CC)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000166069233 823868951 /nfs/dbraw/zinc/86/89/51/823868951.db2.gz AGTBJQZPINSZBI-HXUWFJFHSA-N 1 0 375.513 4.453 20 5 GIBDRO Cc1c([C@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000166172531 823871568 /nfs/dbraw/zinc/87/15/68/823871568.db2.gz RLBBNTLXYUNDPF-HNNXBMFYSA-N 1 0 389.446 4.497 20 5 GIBDRO COc1cc(C[N@@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000575010555 823887166 /nfs/dbraw/zinc/88/71/66/823887166.db2.gz WPXJWCXRMGNRTE-ZDUSSCGKSA-N 1 0 388.386 4.167 20 5 GIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@@H]2CCOC2)c1 ZINC000167183619 823888277 /nfs/dbraw/zinc/88/82/77/823888277.db2.gz UJHHOIGOEDTDKZ-ZWKOTPCHSA-N 1 0 384.476 4.478 20 5 GIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(OC[C@H]2CCOC2)c1 ZINC000167192094 823888867 /nfs/dbraw/zinc/88/88/67/823888867.db2.gz HVPYWDSMCQXDJF-MSOLQXFVSA-N 1 0 384.476 4.478 20 5 GIBDRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000575071833 823904281 /nfs/dbraw/zinc/90/42/81/823904281.db2.gz IJVXKWMKPNBCEZ-XMCHAPAWSA-N 1 0 397.450 4.063 20 5 GIBDRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000575071830 823904521 /nfs/dbraw/zinc/90/45/21/823904521.db2.gz IJVXKWMKPNBCEZ-JSNMRZPZSA-N 1 0 397.450 4.063 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@]4(CCSC4)C3)s2)cc1 ZINC000575124964 823918252 /nfs/dbraw/zinc/91/82/52/823918252.db2.gz QDVDZKXQQALPBX-SFHVURJKSA-N 1 0 376.503 4.031 20 5 GIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000462390529 823956828 /nfs/dbraw/zinc/95/68/28/823956828.db2.gz VEOBPYKARVKTGH-AZUAARDMSA-N 1 0 399.491 4.100 20 5 GIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)C1 ZINC000170793901 823972712 /nfs/dbraw/zinc/97/27/12/823972712.db2.gz JLLGUDHDOBHVSL-CYBMUJFWSA-N 1 0 389.402 4.357 20 5 GIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000192483614 824008175 /nfs/dbraw/zinc/00/81/75/824008175.db2.gz ZITPRCCHNRWACC-INIZCTEOSA-N 1 0 381.476 4.065 20 5 GIBDRO COc1cc(CNc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414802515 824037395 /nfs/dbraw/zinc/03/73/95/824037395.db2.gz IDVAGUDQZPXDAT-NSHDSACASA-N 1 0 399.369 4.176 20 5 GIBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175831172 823050157 /nfs/dbraw/zinc/05/01/57/823050157.db2.gz GVTKXOPIWSORBT-SJLPKXTDSA-N 1 0 376.478 4.013 20 5 GIBDRO CC(C)(CO)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000570764951 823083243 /nfs/dbraw/zinc/08/32/43/823083243.db2.gz RQXHCFJGUQXLNY-NRFANRHFSA-N 1 0 395.459 4.142 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000056197096 823101110 /nfs/dbraw/zinc/10/11/10/823101110.db2.gz VBOSOZKVYZFDLB-NWDGAFQWSA-N 1 0 397.353 4.171 20 5 GIBDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000121215289 823140259 /nfs/dbraw/zinc/14/02/59/823140259.db2.gz AUZFBEVQUILXBY-JXFKEZNVSA-N 1 0 382.464 4.112 20 5 GIBDRO COc1cc(C[NH2+]Cc2cccc(C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121212396 823139774 /nfs/dbraw/zinc/13/97/74/823139774.db2.gz PNKZJOIVHKEGET-UHFFFAOYSA-N 1 0 393.443 4.176 20 5 GIBDRO CCOc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)ccc1[N+](=O)[O-] ZINC000459520826 823210127 /nfs/dbraw/zinc/21/01/27/823210127.db2.gz LDYGZPJOSFYBQN-UHFFFAOYSA-N 1 0 382.460 4.058 20 5 GIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000571746698 823228840 /nfs/dbraw/zinc/22/88/40/823228840.db2.gz QOJMSROZUPGRKU-JKSUJKDBSA-N 1 0 398.385 4.006 20 5 GIBDRO C[C@@H](CCCc1cccnc1)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459639517 823235287 /nfs/dbraw/zinc/23/52/87/823235287.db2.gz OLJTUSQQTXNKFZ-INIZCTEOSA-N 1 0 380.448 4.188 20 5 GIBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176580013 823241197 /nfs/dbraw/zinc/24/11/97/823241197.db2.gz OMQHWHXJNMWGFB-ZBFHGGJFSA-N 1 0 387.867 4.031 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000571845099 823244395 /nfs/dbraw/zinc/24/43/95/823244395.db2.gz UMBIUNYDVVTSOB-QGZVFWFLSA-N 1 0 396.491 4.286 20 5 GIBDRO CCOc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000176643975 823256286 /nfs/dbraw/zinc/25/62/86/823256286.db2.gz GGTBIDQXVQPQBA-QGZVFWFLSA-N 1 0 399.491 4.305 20 5 GIBDRO C[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176721867 823276873 /nfs/dbraw/zinc/27/68/73/823276873.db2.gz OPHUTRDLRDTPQK-GOEBONIOSA-N 1 0 387.867 4.031 20 5 GIBDRO C[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176722688 823277131 /nfs/dbraw/zinc/27/71/31/823277131.db2.gz OPHUTRDLRDTPQK-HOCLYGCPSA-N 1 0 387.867 4.031 20 5 GIBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122726109 823401150 /nfs/dbraw/zinc/40/11/50/823401150.db2.gz JSZICZLANXKCAN-HTAPYJJXSA-N 1 0 384.476 4.318 20 5 GIBDRO C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025216197 819944114 /nfs/dbraw/zinc/94/41/14/819944114.db2.gz XWJOAJLMFLFZQE-SMDDNHRTSA-N 1 0 391.880 4.402 20 5 GIBDRO COc1cc(NC2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000177370422 823447598 /nfs/dbraw/zinc/44/75/98/823447598.db2.gz BGIMVPHIHSHUSS-OAHLLOKOSA-N 1 0 385.464 4.250 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000026924728 820164991 /nfs/dbraw/zinc/16/49/91/820164991.db2.gz GKKUVMMQWADFRI-IBGZPJMESA-N 1 0 383.448 4.078 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000189629182 823462428 /nfs/dbraw/zinc/46/24/28/823462428.db2.gz ADBBNQJYFCMWKY-KDOFPFPSSA-N 1 0 398.381 4.428 20 5 GIBDRO CC1CCN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])CC1 ZINC000030771577 820680355 /nfs/dbraw/zinc/68/03/55/820680355.db2.gz XNRBPEZTVFFODQ-UHFFFAOYSA-N 1 0 396.491 4.145 20 5 GIBDRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000031092768 820738933 /nfs/dbraw/zinc/73/89/33/820738933.db2.gz RWTFHEWKUXLPBR-GOSISDBHSA-N 1 0 388.855 4.207 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000460745499 823502583 /nfs/dbraw/zinc/50/25/83/823502583.db2.gz CCMRCYBSPFEYQW-QZTJIDSGSA-N 1 0 395.503 4.311 20 5 GIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 ZINC000037668406 821093847 /nfs/dbraw/zinc/09/38/47/821093847.db2.gz HJFYHLICOIRGEU-NSHDSACASA-N 1 0 382.201 4.050 20 5 GIBDRO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190051974 823530908 /nfs/dbraw/zinc/53/09/08/823530908.db2.gz YCZUSZSRYBIDCL-ACJLOTCBSA-N 1 0 376.840 4.243 20 5 GIBDRO O=C(c1ccc(Cl)cc1)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000060482295 823532799 /nfs/dbraw/zinc/53/27/99/823532799.db2.gz VYSYDBQPOOUAHB-UHFFFAOYSA-N 1 0 388.851 4.222 20 5 GIBDRO COc1ccc(C[NH2+]C2(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000123743612 823536557 /nfs/dbraw/zinc/53/65/57/823536557.db2.gz BKPHBDAVIDYAQK-UHFFFAOYSA-N 1 0 377.238 4.145 20 5 GIBDRO CCOc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000060547797 823540903 /nfs/dbraw/zinc/54/09/03/823540903.db2.gz MQTVOPCCOMVKJL-MRXNPFEDSA-N 1 0 397.475 4.478 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000180716015 821414253 /nfs/dbraw/zinc/41/42/53/821414253.db2.gz JSQDKSKQPPLSFW-HNNXBMFYSA-N 1 0 393.534 4.190 20 5 GIBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870757 821504855 /nfs/dbraw/zinc/50/48/55/821504855.db2.gz IXDJVBWLPBIFBY-UKRRQHHQSA-N 1 0 376.840 4.243 20 5 GIBDRO NC(=O)c1ccc(C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000181034822 821604024 /nfs/dbraw/zinc/60/40/24/821604024.db2.gz DBMWSZCLKUAJSR-IBGZPJMESA-N 1 0 387.867 4.368 20 5 GIBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)nc2c1 ZINC000181150816 821665547 /nfs/dbraw/zinc/66/55/47/821665547.db2.gz HCFFBVTWWCWSPG-CQSZACIVSA-N 1 0 391.431 4.300 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000181235249 821711500 /nfs/dbraw/zinc/71/15/00/821711500.db2.gz YVUAIRRXTFPLSS-QWHCGFSZSA-N 1 0 376.844 4.020 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181279064 821731731 /nfs/dbraw/zinc/73/17/31/821731731.db2.gz AQWLKFKEVQGFJU-HNNXBMFYSA-N 1 0 399.447 4.189 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181312526 821750989 /nfs/dbraw/zinc/75/09/89/821750989.db2.gz BIKJGXAJSVBGEP-HNNXBMFYSA-N 1 0 399.447 4.189 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000181608619 821900961 /nfs/dbraw/zinc/90/09/61/821900961.db2.gz XWBAHEGIOBENGC-KRWDZBQOSA-N 1 0 384.476 4.450 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664136 821931202 /nfs/dbraw/zinc/93/12/02/821931202.db2.gz OUKMDQQGPOKWQB-CABCVRRESA-N 1 0 391.537 4.090 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664095 821931498 /nfs/dbraw/zinc/93/14/98/821931498.db2.gz OUKMDQQGPOKWQB-HUUCEWRRSA-N 1 0 391.537 4.090 20 5 GIBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000181757854 821979110 /nfs/dbraw/zinc/97/91/10/821979110.db2.gz LYUXXUIHRZTYIS-ZDUSSCGKSA-N 1 0 383.404 4.029 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000181808782 822001752 /nfs/dbraw/zinc/00/17/52/822001752.db2.gz DYQAHSQDPBLJMQ-OAHLLOKOSA-N 1 0 391.427 4.337 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000181828379 822009562 /nfs/dbraw/zinc/00/95/62/822009562.db2.gz HPRLSDFVLHRSFZ-KBPBESRZSA-N 1 0 391.418 4.052 20 5 GIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182208150 822147940 /nfs/dbraw/zinc/14/79/40/822147940.db2.gz AULYVBDRMFUSQS-CQSZACIVSA-N 1 0 399.944 4.111 20 5 GIBDRO Cn1ccnc1COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178075628 822310296 /nfs/dbraw/zinc/31/02/96/822310296.db2.gz HSJGPEMSQTVXEU-UHFFFAOYSA-N 1 0 392.459 4.072 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000182861167 822381227 /nfs/dbraw/zinc/38/12/27/822381227.db2.gz UMDDXDGORFDNPT-MRXNPFEDSA-N 1 0 382.464 4.250 20 5 GIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179365172 822472057 /nfs/dbraw/zinc/47/20/57/822472057.db2.gz RGMFHJWPHFEGER-UHFFFAOYSA-N 1 0 392.459 4.162 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000179395673 822476534 /nfs/dbraw/zinc/47/65/34/822476534.db2.gz GFMOURYFVGVXIR-MRXNPFEDSA-N 1 0 380.448 4.089 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000183613308 822501451 /nfs/dbraw/zinc/50/14/51/822501451.db2.gz VQSKNCOLSQDHAP-HTAPYJJXSA-N 1 0 384.476 4.318 20 5 GIBDRO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000183744239 822520842 /nfs/dbraw/zinc/52/08/42/822520842.db2.gz GMLUFRZTOYMATC-UHFFFAOYSA-N 1 0 399.454 4.475 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c(Cl)c1 ZINC000183755175 822522888 /nfs/dbraw/zinc/52/28/88/822522888.db2.gz YXSBXJQNRWQUIS-UHFFFAOYSA-N 1 0 388.880 4.489 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000179677567 822525086 /nfs/dbraw/zinc/52/50/86/822525086.db2.gz NFEGQMXJOWWXGD-INIZCTEOSA-N 1 0 385.464 4.370 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000183776410 822527000 /nfs/dbraw/zinc/52/70/00/822527000.db2.gz UWTYHWFCHZJOLP-LLVKDONJSA-N 1 0 395.818 4.075 20 5 GIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000047262372 822559976 /nfs/dbraw/zinc/55/99/76/822559976.db2.gz GJPJJPREVQPHHD-CYBMUJFWSA-N 1 0 388.855 4.055 20 5 GIBDRO C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184011295 822563363 /nfs/dbraw/zinc/56/33/63/822563363.db2.gz VPNKMHCJBCNZBZ-HOTGVXAUSA-N 1 0 399.466 4.179 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000184106452 822578879 /nfs/dbraw/zinc/57/88/79/822578879.db2.gz DOWIDHTYYMMHFC-UHFFFAOYSA-N 1 0 398.507 4.117 20 5 GIBDRO CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000179941202 822581731 /nfs/dbraw/zinc/58/17/31/822581731.db2.gz BJCDGXUSUKWWOK-IBGZPJMESA-N 1 0 376.478 4.019 20 5 GIBDRO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)c1ccccc1 ZINC000180012517 822596397 /nfs/dbraw/zinc/59/63/97/822596397.db2.gz OYPPKTUMHCUVGK-GOSISDBHSA-N 1 0 380.448 4.491 20 5 GIBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000184521038 822650167 /nfs/dbraw/zinc/65/01/67/822650167.db2.gz WPSPNXMMPHEEPX-VFNWGFHPSA-N 1 0 399.466 4.138 20 5 GIBDRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184628696 822668178 /nfs/dbraw/zinc/66/81/78/822668178.db2.gz NGBYRTFRTJEIPR-BQFCYCMXSA-N 1 0 399.466 4.007 20 5 GIBDRO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 ZINC000180397324 822675398 /nfs/dbraw/zinc/67/53/98/822675398.db2.gz HCJSFEHXNGAYQH-CYBMUJFWSA-N 1 0 396.472 4.316 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000180436601 822681554 /nfs/dbraw/zinc/68/15/54/822681554.db2.gz OUKTVGQLFWVOFI-NSHDSACASA-N 1 0 382.247 4.499 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000180440796 822682638 /nfs/dbraw/zinc/68/26/38/822682638.db2.gz LCQZZYXOMIUGMR-HUUCEWRRSA-N 1 0 381.432 4.211 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc21 ZINC000455895569 822744100 /nfs/dbraw/zinc/74/41/00/822744100.db2.gz CYXLSCKPPZOACT-NRFANRHFSA-N 1 0 394.475 4.340 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc21 ZINC000455910839 822747463 /nfs/dbraw/zinc/74/74/63/822747463.db2.gz IUTFAHQEUKWGMS-NRFANRHFSA-N 1 0 394.475 4.340 20 5 GIBDRO CC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000455947634 822756120 /nfs/dbraw/zinc/75/61/20/822756120.db2.gz XPUOHXPHTFCSFA-PMACEKPBSA-N 1 0 382.464 4.417 20 5 GIBDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)n1 ZINC000052861594 822813017 /nfs/dbraw/zinc/81/30/17/822813017.db2.gz JPYBORFYNWBKQA-INIZCTEOSA-N 1 0 375.428 4.017 20 5 GIBDRO COc1ccccc1C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000185887814 822830315 /nfs/dbraw/zinc/83/03/15/822830315.db2.gz SYWUMAHZGLJWRX-SFHVURJKSA-N 1 0 396.447 4.010 20 5 GIBDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000456790321 822831218 /nfs/dbraw/zinc/83/12/18/822831218.db2.gz KZTJNHQAJMTYQR-UHFFFAOYSA-N 1 0 395.868 4.035 20 5 GIBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000185940153 822835446 /nfs/dbraw/zinc/83/54/46/822835446.db2.gz FNAAJSWOUJONHQ-GFCCVEGCSA-N 1 0 375.372 4.190 20 5 GIBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185960910 822837966 /nfs/dbraw/zinc/83/79/66/822837966.db2.gz SXLBLZYQGXFEKJ-GFCCVEGCSA-N 1 0 375.372 4.190 20 5 GIBDRO Cc1csc(C2([NH2+]CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCCC2)n1 ZINC000175017413 822868042 /nfs/dbraw/zinc/86/80/42/822868042.db2.gz SXFRPKQRDAQSSC-UHFFFAOYSA-N 1 0 388.493 4.056 20 5 GIBDRO COc1cc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000186438463 822895815 /nfs/dbraw/zinc/89/58/15/822895815.db2.gz KAPPBNJHFCIIHO-CQSZACIVSA-N 1 0 384.354 4.048 20 5 GIBDRO Cn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C2CCCCC2)n1 ZINC000569526226 822934357 /nfs/dbraw/zinc/93/43/57/822934357.db2.gz WUTIKVJIBRQRPP-UHFFFAOYSA-N 1 0 381.480 4.190 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000055151858 822940993 /nfs/dbraw/zinc/94/09/93/822940993.db2.gz NLLXPNMNSUEPAK-HZPDHXFCSA-N 1 0 385.464 4.368 20 5 GIBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569614360 822944893 /nfs/dbraw/zinc/94/48/93/822944893.db2.gz JKXJFBXUJBJZKX-IRXDYDNUSA-N 1 0 393.438 4.034 20 5 GIBDRO Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000458194729 822967397 /nfs/dbraw/zinc/96/73/97/822967397.db2.gz FBJRPGGUEMECOH-UHFFFAOYSA-N 1 0 391.855 4.058 20 5 GIBDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000186856942 822968868 /nfs/dbraw/zinc/96/88/68/822968868.db2.gz ANAHAWUMBIOPJI-AWEZNQCLSA-N 1 0 396.534 4.189 20 5 GIBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000569807513 822971736 /nfs/dbraw/zinc/97/17/36/822971736.db2.gz HWYZCHBKDFKQBW-NQIIRXRSSA-N 1 0 397.475 4.082 20 5 GIBDRO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000187207897 823024985 /nfs/dbraw/zinc/02/49/85/823024985.db2.gz KNMTUWYCEXQCCB-SJKOYZFVSA-N 1 0 395.381 4.035 20 5 GIBDRO Cc1ccc(-c2noc([C@@H](C)N[C@H]3CCc4c3cccc4[N+](=O)[O-])n2)cc1F ZINC000570463000 823041130 /nfs/dbraw/zinc/04/11/30/823041130.db2.gz OCOWQDZMAMSMRH-PXAZEXFGSA-N 1 0 382.395 4.430 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000460955571 823550021 /nfs/dbraw/zinc/55/00/21/823550021.db2.gz YLRDNGAPMWVEMP-UHFFFAOYSA-N 1 0 381.476 4.209 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000460965589 823552233 /nfs/dbraw/zinc/55/22/33/823552233.db2.gz SLHWQRHARVIBOV-NRFANRHFSA-N 1 0 381.476 4.106 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000411189581 823555690 /nfs/dbraw/zinc/55/56/90/823555690.db2.gz SVFUXRWMGQEJRL-LJQANCHMSA-N 1 0 383.448 4.078 20 5 GIBDRO CC(C)c1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000190256937 823556915 /nfs/dbraw/zinc/55/69/15/823556915.db2.gz MHVHNIYHHPVYRA-MRXNPFEDSA-N 1 0 396.491 4.069 20 5 GIBDRO Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858301 823562888 /nfs/dbraw/zinc/56/28/88/823562888.db2.gz QIGKUQMBDODQBY-GOSISDBHSA-N 1 0 393.447 4.202 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000411297386 823562885 /nfs/dbraw/zinc/56/28/85/823562885.db2.gz SZTJNVVEAHDNHE-KRWDZBQOSA-N 1 0 387.436 4.142 20 5 GIBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190447015 823575639 /nfs/dbraw/zinc/57/56/39/823575639.db2.gz KRPVZDBQNANIII-UHFFFAOYSA-N 1 0 396.491 4.031 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccnc2)cc1 ZINC000061554867 823603448 /nfs/dbraw/zinc/60/34/48/823603448.db2.gz QWVYRXOEQBEVGZ-UHFFFAOYSA-N 1 0 385.427 4.132 20 5 GIBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000125084795 823650775 /nfs/dbraw/zinc/65/07/75/823650775.db2.gz LYLJJOPDOOHLTQ-UHFFFAOYSA-N 1 0 391.537 4.232 20 5 GIBDRO CC(C)Oc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000412381656 823650983 /nfs/dbraw/zinc/65/09/83/823650983.db2.gz UOCBGYWWQBPDCC-GOSISDBHSA-N 1 0 383.448 4.183 20 5 GIBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461582235 823664489 /nfs/dbraw/zinc/66/44/89/823664489.db2.gz UAROPULRXJJQNE-UHFFFAOYSA-N 1 0 393.487 4.256 20 5 GIBDRO COc1ccc(COc2ccc(OCC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000063457322 823672600 /nfs/dbraw/zinc/67/26/00/823672600.db2.gz VZZPKACPHXKBOJ-UHFFFAOYSA-N 1 0 386.448 4.047 20 5 GIBDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000461711779 823685883 /nfs/dbraw/zinc/68/58/83/823685883.db2.gz YGCDBVNXYDRNFB-NRFANRHFSA-N 1 0 397.500 4.078 20 5 GIBDRO C[NH+]1CCC(Oc2ccc(CNc3nccc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000413290786 823746038 /nfs/dbraw/zinc/74/60/38/823746038.db2.gz LBMMKFYZESGCJI-UHFFFAOYSA-N 1 0 392.459 4.228 20 5 GIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c2c(c1)COCO2 ZINC000064249552 823780240 /nfs/dbraw/zinc/78/02/40/823780240.db2.gz YMASCDUHRFGADI-QGZVFWFLSA-N 1 0 388.851 4.322 20 5 GIBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000126172589 823805160 /nfs/dbraw/zinc/80/51/60/823805160.db2.gz NUBWLZIGYSKWGZ-UHFFFAOYSA-N 1 0 388.493 4.083 20 5 GIBDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000126411508 823860291 /nfs/dbraw/zinc/86/02/91/823860291.db2.gz VPKQWTSZWPOATG-FQEVSTJZSA-N 1 0 382.416 4.029 20 5 GIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@@H]2CCOC2)c1 ZINC000167183818 823888201 /nfs/dbraw/zinc/88/82/01/823888201.db2.gz UJHHOIGOEDTDKZ-QZTJIDSGSA-N 1 0 384.476 4.478 20 5 GIBDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000169256420 823910299 /nfs/dbraw/zinc/91/02/99/823910299.db2.gz IPYKRLRRDIOUPR-UHFFFAOYSA-N 1 0 398.463 4.012 20 5 GIBDRO CCC[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414181609 823924022 /nfs/dbraw/zinc/92/40/22/823924022.db2.gz MOFUWOOWQUVMMY-UWWQBHOKSA-N 1 0 376.478 4.360 20 5 GIBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000462367051 823943485 /nfs/dbraw/zinc/94/34/85/823943485.db2.gz BOPBJOYRBMPKAA-CYBMUJFWSA-N 1 0 377.391 4.055 20 5 GIBDRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414271240 823948280 /nfs/dbraw/zinc/94/82/80/823948280.db2.gz WGSFWKNVBQXIPU-ZDUSSCGKSA-N 1 0 396.534 4.187 20 5 GIBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414492446 823994680 /nfs/dbraw/zinc/99/46/80/823994680.db2.gz FTHJFCGDVZFRNE-MOPGFXCFSA-N 1 0 381.457 4.120 20 5 GIBDRO CCOc1cc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OCC ZINC000414764618 824034358 /nfs/dbraw/zinc/03/43/58/824034358.db2.gz YRGCQGZXZYKRSS-GFCCVEGCSA-N 1 0 388.424 4.056 20 5 GIBDRO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000171050448 824047666 /nfs/dbraw/zinc/04/76/66/824047666.db2.gz ZVBSRMZCKSOZQR-GOSISDBHSA-N 1 0 384.457 4.155 20 5 GIBDRO CC(C)Oc1ccc([C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000576022545 824051775 /nfs/dbraw/zinc/05/17/75/824051775.db2.gz KCHFHHNXBWPHPP-PYHFOVLWSA-N 1 0 383.492 4.288 20 5 GIBDRO C[C@@H]1C[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414944230 824052927 /nfs/dbraw/zinc/05/29/27/824052927.db2.gz GJDDOMIHDANGBX-HIFRSBDPSA-N 1 0 375.856 4.271 20 5 GIBDRO O=[N+]([O-])c1cccc2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC001164624385 719074716 /nfs/dbraw/zinc/07/47/16/719074716.db2.gz LPRVWSOFJOTPJZ-CTNGQTDRSA-N 1 0 388.471 4.244 20 5 GIBDRO O=[N+]([O-])c1cccc2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC001164624387 719075185 /nfs/dbraw/zinc/07/51/85/719075185.db2.gz LPRVWSOFJOTPJZ-PZJWPPBQSA-N 1 0 388.471 4.244 20 5 GIBDRO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730498 720356323 /nfs/dbraw/zinc/35/63/23/720356323.db2.gz ZTUAZIUJYYCRDA-LEWJYISDSA-N 1 0 381.483 4.031 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994548 722191927 /nfs/dbraw/zinc/19/19/27/722191927.db2.gz NUYUGZRCXLTIGN-LJQANCHMSA-N 1 0 390.846 4.027 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)co2)cc1 ZINC000121043874 823107892 /nfs/dbraw/zinc/10/78/92/823107892.db2.gz UBPZVEVLYXNSKG-OAQYLSRUSA-N 1 0 393.443 4.023 20 5 GIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Oc3ccccc3)nc2)n1 ZINC000570921695 823108045 /nfs/dbraw/zinc/10/80/45/823108045.db2.gz BTBMEPLHGABKST-OALUTQOASA-N 1 0 393.447 4.252 20 5 GIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121299102 823158079 /nfs/dbraw/zinc/15/80/79/823158079.db2.gz DLAPHPLUEFBOAA-GDBMZVCRSA-N 1 0 396.422 4.410 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459396887 823182942 /nfs/dbraw/zinc/18/29/42/823182942.db2.gz WAQCXZJWZMVBLD-UHFFFAOYSA-N 1 0 377.448 4.258 20 5 GIBDRO CSc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000188096612 823185804 /nfs/dbraw/zinc/18/58/04/823185804.db2.gz DNJMVKTWYWUOFH-GOSISDBHSA-N 1 0 399.516 4.192 20 5 GIBDRO CSc1cccc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000188180516 823199080 /nfs/dbraw/zinc/19/90/80/823199080.db2.gz XWCLMMYJFLZGFG-MRXNPFEDSA-N 1 0 399.516 4.053 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](c3ccco3)N3CCCC3)o2)c1 ZINC000409462269 823225023 /nfs/dbraw/zinc/22/50/23/823225023.db2.gz DJCUPJMRDNNMLS-LJQANCHMSA-N 1 0 381.432 4.375 20 5 GIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CCn3cncn3)cc2[N+](=O)[O-])c1 ZINC000409520612 823240001 /nfs/dbraw/zinc/24/00/01/823240001.db2.gz KINYVQGFBJKQKJ-UHFFFAOYSA-N 1 0 395.463 4.200 20 5 GIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176602354 823246183 /nfs/dbraw/zinc/24/61/83/823246183.db2.gz HPFBOQDQQOFLEA-AWEZNQCLSA-N 1 0 387.867 4.204 20 5 GIBDRO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571942019 823257864 /nfs/dbraw/zinc/25/78/64/823257864.db2.gz NANIHSHJFPZELU-ZNDGOPKYSA-N 1 0 393.487 4.010 20 5 GIBDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459729482 823257582 /nfs/dbraw/zinc/25/75/82/823257582.db2.gz JWULQODBTNEQDE-HNNXBMFYSA-N 1 0 381.432 4.460 20 5 GIBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459752650 823260529 /nfs/dbraw/zinc/26/05/29/823260529.db2.gz BXUWPNXEGAOFJH-HNNXBMFYSA-N 1 0 383.423 4.494 20 5 GIBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008003821 817979374 /nfs/dbraw/zinc/97/93/74/817979374.db2.gz WICQKMWTEJUXGP-SFHVURJKSA-N 1 0 379.819 4.313 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1 ZINC000188800127 823308287 /nfs/dbraw/zinc/30/82/87/823308287.db2.gz HZXXSOLYVXASTF-ZBFHGGJFSA-N 1 0 376.840 4.291 20 5 GIBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000122163802 823315333 /nfs/dbraw/zinc/31/53/33/823315333.db2.gz VMCDHAFMPHPVPX-AWEZNQCLSA-N 1 0 390.509 4.252 20 5 GIBDRO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016483714 818448550 /nfs/dbraw/zinc/44/85/50/818448550.db2.gz UFQXIJDYBZLBBD-MRXNPFEDSA-N 1 0 375.428 4.301 20 5 GIBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000017362977 818512442 /nfs/dbraw/zinc/51/24/42/818512442.db2.gz IYRUAMUFNLHFSY-UHFFFAOYSA-N 1 0 395.484 4.204 20 5 GIBDRO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000018186133 818555132 /nfs/dbraw/zinc/55/51/32/818555132.db2.gz MEHOLNSYUFHWRP-GOSISDBHSA-N 1 0 387.505 4.168 20 5 GIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000019625637 818596315 /nfs/dbraw/zinc/59/63/15/818596315.db2.gz KWJWUNIQOPYQPX-SJKOYZFVSA-N 1 0 391.855 4.325 20 5 GIBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122768165 823409059 /nfs/dbraw/zinc/40/90/59/823409059.db2.gz RSGDTMNHIXEHPG-KUHUBIRLSA-N 1 0 376.478 4.071 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000026223865 820071542 /nfs/dbraw/zinc/07/15/42/820071542.db2.gz JAVHOFXQOGZYKR-UHFFFAOYSA-N 1 0 399.491 4.362 20 5 GIBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000026711301 820135701 /nfs/dbraw/zinc/13/57/01/820135701.db2.gz SBFRLHXKJGWUME-JOCHJYFZSA-N 1 0 392.455 4.037 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000026925085 820165040 /nfs/dbraw/zinc/16/50/40/820165040.db2.gz DEFGMJHYMWABRK-CQSZACIVSA-N 1 0 397.431 4.371 20 5 GIBDRO C[N@H+](CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCCC1 ZINC000031144832 820752163 /nfs/dbraw/zinc/75/21/63/820752163.db2.gz QNZYFPPLXPMFOS-UHFFFAOYSA-N 1 0 375.494 4.194 20 5 GIBDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000123358219 823501094 /nfs/dbraw/zinc/50/10/94/823501094.db2.gz VTQXDQCQWCLQLO-ZVRJUHEZSA-N 1 0 375.469 4.176 20 5 GIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000190039944 823529689 /nfs/dbraw/zinc/52/96/89/823529689.db2.gz XMNBHTZEVKCSGL-KGLIPLIRSA-N 1 0 384.411 4.456 20 5 GIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000043303831 821388798 /nfs/dbraw/zinc/38/87/98/821388798.db2.gz YJWQNEVHVAIURH-LJQANCHMSA-N 1 0 399.834 4.353 20 5 GIBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180781632 821454735 /nfs/dbraw/zinc/45/47/35/821454735.db2.gz CJSRICZYHQRTTR-IFMALSPDSA-N 1 0 393.487 4.065 20 5 GIBDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000180787822 821457837 /nfs/dbraw/zinc/45/78/37/821457837.db2.gz MLEIRNHHMSJWSV-HNNXBMFYSA-N 1 0 394.855 4.136 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000180924874 821541073 /nfs/dbraw/zinc/54/10/73/821541073.db2.gz COCJXKIVBRHKKR-HOTGVXAUSA-N 1 0 390.443 4.335 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCOCC3)o2)c(Br)c1 ZINC000181029816 821602085 /nfs/dbraw/zinc/60/20/85/821602085.db2.gz TVINFVCQHRIECN-GFCCVEGCSA-N 1 0 395.253 4.276 20 5 GIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000044877268 821676511 /nfs/dbraw/zinc/67/65/11/821676511.db2.gz QVCBUQGSIRBFTM-LVMGUKCRSA-N 1 0 393.487 4.156 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181362294 821787992 /nfs/dbraw/zinc/78/79/92/821787992.db2.gz ZODGLJDEEBXWSC-INIZCTEOSA-N 1 0 397.475 4.360 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000181468972 821840516 /nfs/dbraw/zinc/84/05/16/821840516.db2.gz CTAVNIDALVFGPQ-HNNXBMFYSA-N 1 0 379.526 4.042 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181763447 821981796 /nfs/dbraw/zinc/98/17/96/821981796.db2.gz CKRWZBKZEVIHHZ-LLVKDONJSA-N 1 0 395.818 4.075 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000181828424 822009637 /nfs/dbraw/zinc/00/96/37/822009637.db2.gz HPRLSDFVLHRSFZ-UONOGXRCSA-N 1 0 391.418 4.052 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000181837891 822013263 /nfs/dbraw/zinc/01/32/63/822013263.db2.gz RQUSHIHBGXTFSE-NSHDSACASA-N 1 0 382.247 4.499 20 5 GIBDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182551402 822297747 /nfs/dbraw/zinc/29/77/47/822297747.db2.gz NFMLMGZPZHEFSJ-QGZVFWFLSA-N 1 0 375.513 4.325 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC(C)(C)C ZINC000178093137 822316205 /nfs/dbraw/zinc/31/62/05/822316205.db2.gz FZEKCVYMSQYVPM-CHWSQXEVSA-N 1 0 375.494 4.277 20 5 GIBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453418763 822360192 /nfs/dbraw/zinc/36/01/92/822360192.db2.gz CRHFUQYMBJXMAS-SQWLQELKSA-N 1 0 385.489 4.127 20 5 GIBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000453623281 822394771 /nfs/dbraw/zinc/39/47/71/822394771.db2.gz JJWUOGVUWFXPBJ-GOSISDBHSA-N 1 0 397.500 4.028 20 5 GIBDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178647812 822399301 /nfs/dbraw/zinc/39/93/01/822399301.db2.gz KXLQJEALDYLDGV-CQSZACIVSA-N 1 0 375.419 4.188 20 5 GIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC ZINC000178652232 822399571 /nfs/dbraw/zinc/39/95/71/822399571.db2.gz NTFGCFXNTQLPAC-NSHDSACASA-N 1 0 395.253 4.225 20 5 GIBDRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178652077 822399661 /nfs/dbraw/zinc/39/96/61/822399661.db2.gz FLXQHMMVSQLIGA-HNNXBMFYSA-N 1 0 376.416 4.093 20 5 GIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178669779 822401368 /nfs/dbraw/zinc/40/13/68/822401368.db2.gz XZPSPHFZFYQDCZ-WZONZLPQSA-N 1 0 385.511 4.477 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000178682104 822402429 /nfs/dbraw/zinc/40/24/29/822402429.db2.gz DPKMLKHCMXWFCI-OLZOCXBDSA-N 1 0 393.390 4.182 20 5 GIBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCCO1 ZINC000179398189 822476798 /nfs/dbraw/zinc/47/67/98/822476798.db2.gz XTBHBRMJGZVFOS-LBPRGKRZSA-N 1 0 395.253 4.228 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000179477943 822488388 /nfs/dbraw/zinc/48/83/88/822488388.db2.gz GIKBOOWROUPDBR-GJZGRUSLSA-N 1 0 396.447 4.498 20 5 GIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000183593480 822498611 /nfs/dbraw/zinc/49/86/11/822498611.db2.gz MRUNUGYRVUIGJX-ZIAGYGMSSA-N 1 0 397.431 4.336 20 5 GIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000183593448 822498712 /nfs/dbraw/zinc/49/87/12/822498712.db2.gz MRUNUGYRVUIGJX-KGLIPLIRSA-N 1 0 397.431 4.336 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000046714948 822508741 /nfs/dbraw/zinc/50/87/41/822508741.db2.gz BLUGNUNQDMEDKX-MRXNPFEDSA-N 1 0 381.476 4.065 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179605175 822511250 /nfs/dbraw/zinc/51/12/50/822511250.db2.gz XKGBBHARSWDOTR-ZDUSSCGKSA-N 1 0 393.390 4.184 20 5 GIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000179658243 822521966 /nfs/dbraw/zinc/52/19/66/822521966.db2.gz OQPLXNKOCVWETB-FQEVSTJZSA-N 1 0 395.503 4.114 20 5 GIBDRO O=C(C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1)N1CCCCC1 ZINC000179687331 822527622 /nfs/dbraw/zinc/52/76/22/822527622.db2.gz BXTLNVVORUEQMF-UHFFFAOYSA-N 1 0 397.475 4.079 20 5 GIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179723452 822535351 /nfs/dbraw/zinc/53/53/51/822535351.db2.gz RCZNQNCQWOSOKJ-JSGCOSHPSA-N 1 0 393.390 4.264 20 5 GIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000184011311 822563354 /nfs/dbraw/zinc/56/33/54/822563354.db2.gz VPNKMHCJBCNZBZ-JKSUJKDBSA-N 1 0 399.466 4.179 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000184095150 822577182 /nfs/dbraw/zinc/57/71/82/822577182.db2.gz MJNFCXIQIGUFMG-AWEZNQCLSA-N 1 0 384.411 4.376 20 5 GIBDRO CCOc1cccc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000184116827 822580752 /nfs/dbraw/zinc/58/07/52/822580752.db2.gz NBVCVTQJXHIYEZ-KRWDZBQOSA-N 1 0 399.491 4.305 20 5 GIBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184534520 822652737 /nfs/dbraw/zinc/65/27/37/822652737.db2.gz YPCQOIUENJNNDR-JLTOFOAXSA-N 1 0 385.439 4.186 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180400612 822675781 /nfs/dbraw/zinc/67/57/81/822675781.db2.gz XCUVFOLEQHDTOG-LLVKDONJSA-N 1 0 381.404 4.199 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)s2)cc1 ZINC000180453114 822685065 /nfs/dbraw/zinc/68/50/65/822685065.db2.gz LJQPETGVJCPLRC-WMZOPIPTSA-N 1 0 376.503 4.030 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)cc1[N+](=O)[O-] ZINC000180527406 822696553 /nfs/dbraw/zinc/69/65/53/822696553.db2.gz HQAXFYOVSXOBEA-CYBMUJFWSA-N 1 0 380.391 4.488 20 5 GIBDRO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180534781 822697873 /nfs/dbraw/zinc/69/78/73/822697873.db2.gz ZYMFMUFAKNGXDC-CQSZACIVSA-N 1 0 395.484 4.316 20 5 GIBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133517 822747674 /nfs/dbraw/zinc/74/76/74/822747674.db2.gz UKFHDPKXMAMLOG-LAUBAEHRSA-N 1 0 398.459 4.061 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)ccc21 ZINC000456273548 822792497 /nfs/dbraw/zinc/79/24/97/822792497.db2.gz LWGXGZDQVBIBNN-LJQANCHMSA-N 1 0 385.439 4.199 20 5 GIBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174474404 822794810 /nfs/dbraw/zinc/79/48/10/822794810.db2.gz LUXYECOFWKBPFO-IBGZPJMESA-N 1 0 396.491 4.279 20 5 GIBDRO CSC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCOCC1 ZINC000174564219 822805543 /nfs/dbraw/zinc/80/55/43/822805543.db2.gz BWYXPUWETXNNSB-UHFFFAOYSA-N 1 0 378.519 4.325 20 5 GIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccccc1 ZINC000174672005 822821525 /nfs/dbraw/zinc/82/15/25/822821525.db2.gz HMCYRNNZYCQUTL-HXUWFJFHSA-N 1 0 398.463 4.046 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccccc1 ZINC000185985200 822841104 /nfs/dbraw/zinc/84/11/04/822841104.db2.gz QIRQPLHQRLSAFK-KRWDZBQOSA-N 1 0 387.505 4.130 20 5 GIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000570116697 823007241 /nfs/dbraw/zinc/00/72/41/823007241.db2.gz BKIAOEZYYRVGKU-INIZCTEOSA-N 1 0 385.464 4.058 20 5 GIBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000570247495 823018932 /nfs/dbraw/zinc/01/89/32/823018932.db2.gz COGALFXVTMXOFU-SJORKVTESA-N 1 0 397.475 4.118 20 5 GIBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000060559004 823542057 /nfs/dbraw/zinc/54/20/57/823542057.db2.gz CRUAWUBXSOEHEH-UHFFFAOYSA-N 1 0 396.491 4.285 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190190650 823548593 /nfs/dbraw/zinc/54/85/93/823548593.db2.gz KZBRHEALIRWHGF-OAHLLOKOSA-N 1 0 387.402 4.142 20 5 GIBDRO CC(C)Oc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000411268159 823561072 /nfs/dbraw/zinc/56/10/72/823561072.db2.gz MFVWVWBQBJQVQU-UHFFFAOYSA-N 1 0 383.448 4.230 20 5 GIBDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000124215765 823578196 /nfs/dbraw/zinc/57/81/96/823578196.db2.gz YSULAVJFAXXUTB-NRFANRHFSA-N 1 0 392.459 4.341 20 5 GIBDRO CC(C)([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000411758311 823603004 /nfs/dbraw/zinc/60/30/04/823603004.db2.gz NFVBSHNAMNZEPT-UHFFFAOYSA-N 1 0 386.839 4.366 20 5 GIBDRO COc1cc(C[N@@H+]2CCSC3(CCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000411873486 823611749 /nfs/dbraw/zinc/61/17/49/823611749.db2.gz XZKCNOHKOYYUSC-UHFFFAOYSA-N 1 0 388.436 4.066 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062368811 823629969 /nfs/dbraw/zinc/62/99/69/823629969.db2.gz LJHIDNCQLIICDY-UHFFFAOYSA-N 1 0 390.871 4.152 20 5 GIBDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000062374561 823630499 /nfs/dbraw/zinc/63/04/99/823630499.db2.gz IEZKUXKWOLQOAP-UHFFFAOYSA-N 1 0 390.871 4.152 20 5 GIBDRO CC(C)Oc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000412303241 823644683 /nfs/dbraw/zinc/64/46/83/823644683.db2.gz LSGXYUZWOLBTPF-KRWDZBQOSA-N 1 0 399.447 4.020 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000191334673 823673329 /nfs/dbraw/zinc/67/33/29/823673329.db2.gz CDYWVEHSZIJVTK-UHFFFAOYSA-N 1 0 396.491 4.340 20 5 GIBDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000063680302 823689136 /nfs/dbraw/zinc/68/91/36/823689136.db2.gz KZFXOIHULHJFET-UHFFFAOYSA-N 1 0 385.439 4.040 20 5 GIBDRO C[C@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000163361286 823704098 /nfs/dbraw/zinc/70/40/98/823704098.db2.gz KFBOCQNLDRLSBV-HXUWFJFHSA-N 1 0 387.867 4.033 20 5 GIBDRO C[NH+]1CCC(Oc2ccc(CNc3ccc([N+](=O)[O-])c4ncccc34)cc2)CC1 ZINC000413292475 823746521 /nfs/dbraw/zinc/74/65/21/823746521.db2.gz MYPJYFGPQXMIMP-UHFFFAOYSA-N 1 0 392.459 4.228 20 5 GIBDRO COc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000164375411 823799030 /nfs/dbraw/zinc/79/90/30/823799030.db2.gz YJCGQFYTSZOLMY-FQEVSTJZSA-N 1 0 383.448 4.078 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165009935 823829926 /nfs/dbraw/zinc/82/99/26/823829926.db2.gz JGWLMNPYKZJHCN-MRXNPFEDSA-N 1 0 393.443 4.277 20 5 GIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cccc1[N+](=O)[O-] ZINC000165010350 823829939 /nfs/dbraw/zinc/82/99/39/823829939.db2.gz WEBLCHUDALZLHN-INIZCTEOSA-N 1 0 393.443 4.277 20 5 GIBDRO COc1ccc(-c2ccc(C[NH+]3CCC(c4ccncn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000414472247 823991547 /nfs/dbraw/zinc/99/15/47/823991547.db2.gz RKDNRECVPJGMGO-UHFFFAOYSA-N 1 0 394.431 4.033 20 5 GIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000192475784 824005513 /nfs/dbraw/zinc/00/55/13/824005513.db2.gz WLXZYOFSKACPLO-UHFFFAOYSA-N 1 0 381.476 4.065 20 5 GIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000192483628 824008056 /nfs/dbraw/zinc/00/80/56/824008056.db2.gz ZITPRCCHNRWACC-MRXNPFEDSA-N 1 0 381.476 4.065 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000127142627 824025398 /nfs/dbraw/zinc/02/53/98/824025398.db2.gz QFLSNARWRCAKMJ-OAHLLOKOSA-N 1 0 380.832 4.046 20 5 GIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628847 719088082 /nfs/dbraw/zinc/08/80/82/719088082.db2.gz OZRJUPGEBXPOGF-SIKLNZKXSA-N 1 0 388.471 4.244 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995291 722192121 /nfs/dbraw/zinc/19/21/21/722192121.db2.gz UAHUKXOZEAXLDC-IBGZPJMESA-N 1 0 390.846 4.027 20 5 GIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000187378827 823052598 /nfs/dbraw/zinc/05/25/98/823052598.db2.gz ZQOYPGSNIIHGPF-UHFFFAOYSA-N 1 0 379.526 4.091 20 5 GIBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1 ZINC000570718078 823075365 /nfs/dbraw/zinc/07/53/65/823075365.db2.gz OFVFMUNBNVGCMQ-KRWDZBQOSA-N 1 0 398.419 4.492 20 5 GIBDRO CC(C)([NH2+]Cc1cnc2ccc(Br)cn12)c1ccc([N+](=O)[O-])cc1 ZINC000175985651 823089084 /nfs/dbraw/zinc/08/90/84/823089084.db2.gz JALWMCFTDVQECR-UHFFFAOYSA-N 1 0 389.253 4.030 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000056399628 823143398 /nfs/dbraw/zinc/14/33/98/823143398.db2.gz QNMQILQYSMASJH-KDOFPFPSSA-N 1 0 390.509 4.100 20 5 GIBDRO CSc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000188020373 823173141 /nfs/dbraw/zinc/17/31/41/823173141.db2.gz SGNARWFMSOACOE-UHFFFAOYSA-N 1 0 399.516 4.233 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571573026 823202472 /nfs/dbraw/zinc/20/24/72/823202472.db2.gz KIRNKAYVKGRAAQ-VQIMIIECSA-N 1 0 396.491 4.332 20 5 GIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459680155 823249192 /nfs/dbraw/zinc/24/91/92/823249192.db2.gz UYZVMRIAVLGKQQ-OALUTQOASA-N 1 0 378.432 4.413 20 5 GIBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176723316 823277541 /nfs/dbraw/zinc/27/75/41/823277541.db2.gz QHDQUAHPFXGEGE-GDBMZVCRSA-N 1 0 387.867 4.031 20 5 GIBDRO Cn1cc(C[NH+]2CCC(c3ccsc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188693126 823287132 /nfs/dbraw/zinc/28/71/32/823287132.db2.gz RHTQPXKRGQLKEU-UHFFFAOYSA-N 1 0 382.489 4.436 20 5 GIBDRO O=[N+]([O-])c1ccc(NC(=S)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007404794 817832328 /nfs/dbraw/zinc/83/23/28/817832328.db2.gz BCFRVLHYYRLTME-UHFFFAOYSA-N 1 0 384.505 4.067 20 5 GIBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000122090166 823304889 /nfs/dbraw/zinc/30/48/89/823304889.db2.gz HCELGWAPTNNOCO-AWEZNQCLSA-N 1 0 390.509 4.252 20 5 GIBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000011048230 818047662 /nfs/dbraw/zinc/04/76/62/818047662.db2.gz BOJVTBPSRAGXPI-BLLLJJGKSA-N 1 0 391.855 4.325 20 5 GIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000011048239 818047951 /nfs/dbraw/zinc/04/79/51/818047951.db2.gz BOJVTBPSRAGXPI-MLGOLLRUSA-N 1 0 391.855 4.325 20 5 GIBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000016102152 818393143 /nfs/dbraw/zinc/39/31/43/818393143.db2.gz ZUIMHRVRYLMXEH-UHFFFAOYSA-N 1 0 395.484 4.335 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000122324948 823338086 /nfs/dbraw/zinc/33/80/86/823338086.db2.gz FPNGKDPSUIYCRZ-UHFFFAOYSA-N 1 0 399.516 4.233 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000122443096 823354933 /nfs/dbraw/zinc/35/49/33/823354933.db2.gz MHPFUQCLIVOMFI-INIZCTEOSA-N 1 0 391.493 4.113 20 5 GIBDRO O=C(C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)N1CCCC1 ZINC000122478896 823360293 /nfs/dbraw/zinc/36/02/93/823360293.db2.gz JGJWOJSTLQIZCL-UHFFFAOYSA-N 1 0 399.516 4.158 20 5 GIBDRO C[NH+](C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCCC1 ZINC000058476063 823397300 /nfs/dbraw/zinc/39/73/00/823397300.db2.gz XHOBETFLOHCAFK-MRXNPFEDSA-N 1 0 375.494 4.050 20 5 GIBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000122850222 823422967 /nfs/dbraw/zinc/42/29/67/823422967.db2.gz UHTPENFTTCLANY-INIZCTEOSA-N 1 0 393.553 4.147 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000573024077 823435474 /nfs/dbraw/zinc/43/54/74/823435474.db2.gz OTOFPNPAJYKJGB-UHFFFAOYSA-N 1 0 382.464 4.075 20 5 GIBDRO C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025216159 819944003 /nfs/dbraw/zinc/94/40/03/819944003.db2.gz WXECJPIXTDNESN-BZNIZROVSA-N 1 0 391.880 4.402 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000026230693 820072395 /nfs/dbraw/zinc/07/23/95/820072395.db2.gz JYJFWAFRJSATHC-JOCHJYFZSA-N 1 0 390.443 4.006 20 5 GIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402570 823454364 /nfs/dbraw/zinc/45/43/64/823454364.db2.gz IIUAZSZSFHJIBL-IAGOWNOFSA-N 1 0 388.468 4.060 20 5 GIBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000027208347 820209569 /nfs/dbraw/zinc/20/95/69/820209569.db2.gz WPSMLCBADVXXFV-GOSISDBHSA-N 1 0 389.455 4.196 20 5 GIBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000123507484 823515745 /nfs/dbraw/zinc/51/57/45/823515745.db2.gz HYRXNZMJEMXABB-NWDGAFQWSA-N 1 0 397.269 4.114 20 5 GIBDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000123507877 823515764 /nfs/dbraw/zinc/51/57/64/823515764.db2.gz HYRXNZMJEMXABB-RYUDHWBXSA-N 1 0 397.269 4.114 20 5 GIBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000032730553 820998767 /nfs/dbraw/zinc/99/87/67/820998767.db2.gz QKPKJIGQMGBKGJ-IBGZPJMESA-N 1 0 387.455 4.064 20 5 GIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000190039981 823529732 /nfs/dbraw/zinc/52/97/32/823529732.db2.gz XMNBHTZEVKCSGL-ZIAGYGMSSA-N 1 0 384.411 4.456 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000043303415 821388914 /nfs/dbraw/zinc/38/89/14/821388914.db2.gz GIWURZJCACGEAD-CABCVRRESA-N 1 0 393.443 4.434 20 5 GIBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043343104 821395418 /nfs/dbraw/zinc/39/54/18/821395418.db2.gz FDAJFOGQTHCYQX-MRXNPFEDSA-N 1 0 392.843 4.190 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000180690190 821396705 /nfs/dbraw/zinc/39/67/05/821396705.db2.gz TUJWROUYOPEUNN-YVEFUNNKSA-N 1 0 398.381 4.397 20 5 GIBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180862266 821500486 /nfs/dbraw/zinc/50/04/86/821500486.db2.gz WYERUOCTMALSDG-CHWSQXEVSA-N 1 0 380.876 4.023 20 5 GIBDRO Cc1c([C@@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)cccc1[N+](=O)[O-] ZINC000180901486 821525363 /nfs/dbraw/zinc/52/53/63/821525363.db2.gz LXUQCACWLOIYKQ-CYBMUJFWSA-N 1 0 386.839 4.500 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180908224 821529346 /nfs/dbraw/zinc/52/93/46/821529346.db2.gz HJRYOQAKBPQQNM-JKSUJKDBSA-N 1 0 390.443 4.335 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)c2ccccc2)c1 ZINC000180968389 821561986 /nfs/dbraw/zinc/56/19/86/821561986.db2.gz UEFLAKXGBPTBND-CEWLAPEOSA-N 1 0 384.501 4.329 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCOCC3)o2)c(Br)c1 ZINC000181029834 821602025 /nfs/dbraw/zinc/60/20/25/821602025.db2.gz TVINFVCQHRIECN-LBPRGKRZSA-N 1 0 395.253 4.276 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000181030129 821602088 /nfs/dbraw/zinc/60/20/88/821602088.db2.gz WTBRMYBJLDWDTI-LJQANCHMSA-N 1 0 392.459 4.106 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000044803363 821665217 /nfs/dbraw/zinc/66/52/17/821665217.db2.gz PTPMDKADFLPVKF-OLZOCXBDSA-N 1 0 393.390 4.182 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000044803357 821665280 /nfs/dbraw/zinc/66/52/80/821665280.db2.gz PTPMDKADFLPVKF-STQMWFEESA-N 1 0 393.390 4.182 20 5 GIBDRO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000181502577 821856614 /nfs/dbraw/zinc/85/66/14/821856614.db2.gz SPNGUIHGSAFHHL-QGZVFWFLSA-N 1 0 395.381 4.199 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000181554324 821879229 /nfs/dbraw/zinc/87/92/29/821879229.db2.gz XWRCFGFBIWOSQI-LPHOPBHVSA-N 1 0 386.492 4.446 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181763431 821981777 /nfs/dbraw/zinc/98/17/77/821981777.db2.gz CKRWZBKZEVIHHZ-NSHDSACASA-N 1 0 395.818 4.075 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181867959 822021318 /nfs/dbraw/zinc/02/13/18/822021318.db2.gz QBDNSZLEQQIHGF-KRWDZBQOSA-N 1 0 396.491 4.183 20 5 GIBDRO COc1cc(C[N@H+](C)Cc2cccnc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000182029458 822067387 /nfs/dbraw/zinc/06/73/87/822067387.db2.gz KQCGFQDWDYBMEO-UHFFFAOYSA-N 1 0 393.443 4.209 20 5 GIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000045031531 822358374 /nfs/dbraw/zinc/35/83/74/822358374.db2.gz HAQODTAHCIIDBD-UHFFFAOYSA-N 1 0 376.482 4.032 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000182825862 822373759 /nfs/dbraw/zinc/37/37/59/822373759.db2.gz IPCSXLFPPNXKJW-QZTJIDSGSA-N 1 0 381.476 4.106 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000182825878 822373831 /nfs/dbraw/zinc/37/38/31/822373831.db2.gz IPCSXLFPPNXKJW-ZWKOTPCHSA-N 1 0 381.476 4.106 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000182855128 822379505 /nfs/dbraw/zinc/37/95/05/822379505.db2.gz SEROTEXYONYELD-HNNXBMFYSA-N 1 0 383.448 4.021 20 5 GIBDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178684237 822402740 /nfs/dbraw/zinc/40/27/40/822402740.db2.gz SBOOUOMXWVIZTL-CQSZACIVSA-N 1 0 387.867 4.204 20 5 GIBDRO CSc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)[NH+](C)C)cc1 ZINC000454193134 822437372 /nfs/dbraw/zinc/43/73/72/822437372.db2.gz CITQJKLCDQUGFL-GOSISDBHSA-N 1 0 388.493 4.050 20 5 GIBDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000454519897 822490383 /nfs/dbraw/zinc/49/03/83/822490383.db2.gz OUHLOPRHPCHJNM-IRXDYDNUSA-N 1 0 396.491 4.181 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179589280 822507987 /nfs/dbraw/zinc/50/79/87/822507987.db2.gz FQBXLPXZZCQCKD-STQMWFEESA-N 1 0 393.390 4.182 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000046714946 822508711 /nfs/dbraw/zinc/50/87/11/822508711.db2.gz BLUGNUNQDMEDKX-INIZCTEOSA-N 1 0 381.476 4.065 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000184076685 822574667 /nfs/dbraw/zinc/57/46/67/822574667.db2.gz VIYYCKFUEWMMMM-UHFFFAOYSA-N 1 0 381.904 4.222 20 5 GIBDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179926389 822578318 /nfs/dbraw/zinc/57/83/18/822578318.db2.gz DMRFNUOKVQFSOL-ZDUSSCGKSA-N 1 0 385.395 4.291 20 5 GIBDRO CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000179941216 822581742 /nfs/dbraw/zinc/58/17/42/822581742.db2.gz BJCDGXUSUKWWOK-LJQANCHMSA-N 1 0 376.478 4.019 20 5 GIBDRO Cc1cc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000184608462 822665042 /nfs/dbraw/zinc/66/50/42/822665042.db2.gz YXADULGTCSMDNL-UHFFFAOYSA-N 1 0 382.464 4.032 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180422213 822678837 /nfs/dbraw/zinc/67/88/37/822678837.db2.gz DHLLBEDZLWGEOW-LLVKDONJSA-N 1 0 382.201 4.050 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184881920 822706413 /nfs/dbraw/zinc/70/64/13/822706413.db2.gz UFKXCQPLRQNXTH-HNNXBMFYSA-N 1 0 394.431 4.238 20 5 GIBDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184957852 822718375 /nfs/dbraw/zinc/71/83/75/822718375.db2.gz MFXXORYBDMBLTK-GOSISDBHSA-N 1 0 395.484 4.137 20 5 GIBDRO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000052712391 822808231 /nfs/dbraw/zinc/80/82/31/822808231.db2.gz BQXLLUOUKDEZGM-UONOGXRCSA-N 1 0 397.431 4.418 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1csc2ccccc12 ZINC000052806029 822811469 /nfs/dbraw/zinc/81/14/69/822811469.db2.gz BBTNOYKUBOGLJS-UHFFFAOYSA-N 1 0 399.472 4.279 20 5 GIBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000174607982 822811884 /nfs/dbraw/zinc/81/18/84/822811884.db2.gz WMHVJYMWNIOIHZ-HNNXBMFYSA-N 1 0 382.489 4.266 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000053279540 822828821 /nfs/dbraw/zinc/82/88/21/822828821.db2.gz MKKXHQCFZMYJIG-LJQANCHMSA-N 1 0 383.448 4.078 20 5 GIBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185960890 822837884 /nfs/dbraw/zinc/83/78/84/822837884.db2.gz SXLBLZYQGXFEKJ-LBPRGKRZSA-N 1 0 375.372 4.190 20 5 GIBDRO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000053618266 822843067 /nfs/dbraw/zinc/84/30/67/822843067.db2.gz MZPBDOXSZTYLOY-UHFFFAOYSA-N 1 0 383.448 4.088 20 5 GIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(C(F)(F)F)cs1 ZINC000569148616 822884039 /nfs/dbraw/zinc/88/40/39/822884039.db2.gz CHNNJRFHUZCPSH-SECBINFHSA-N 1 0 384.383 4.445 20 5 GIBDRO COc1cc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000186438447 822895712 /nfs/dbraw/zinc/89/57/12/822895712.db2.gz KAPPBNJHFCIIHO-AWEZNQCLSA-N 1 0 384.354 4.048 20 5 GIBDRO Cn1nc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000186481704 822902409 /nfs/dbraw/zinc/90/24/09/822902409.db2.gz MVDDUDDJJYWSLA-QFBILLFUSA-N 1 0 378.476 4.025 20 5 GIBDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415394 822963503 /nfs/dbraw/zinc/96/35/03/822963503.db2.gz YPAOXOOXOKVQBP-UWVAXJGDSA-N 1 0 396.491 4.008 20 5 GIBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000458214296 822969722 /nfs/dbraw/zinc/96/97/22/822969722.db2.gz MLFWDQFUWWUOHZ-INIZCTEOSA-N 1 0 399.516 4.208 20 5 GIBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000570194757 823013977 /nfs/dbraw/zinc/01/39/77/823013977.db2.gz CPOPTNJCUOWPPY-DBVUQKKJSA-N 1 0 399.516 4.060 20 5 GIBDRO Cc1ccc([C@@H](C)NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000175748424 823031485 /nfs/dbraw/zinc/03/14/85/823031485.db2.gz WDHZAVBLMQKJNY-QGZVFWFLSA-N 1 0 396.491 4.059 20 5 GIBDRO CC(=O)c1ccc(Nc2ccc(CC[NH+]3CCSCC3)cc2)c([N+](=O)[O-])c1 ZINC000060874406 823564039 /nfs/dbraw/zinc/56/40/39/823564039.db2.gz WVDFVWLZZPUILE-UHFFFAOYSA-N 1 0 385.489 4.132 20 5 GIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1 ZINC000124087865 823566463 /nfs/dbraw/zinc/56/64/63/823566463.db2.gz LSMRUOVNYKHRBT-UHFFFAOYSA-N 1 0 389.427 4.015 20 5 GIBDRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000461095835 823576120 /nfs/dbraw/zinc/57/61/20/823576120.db2.gz DSTLPTLBGRMVGO-PBHICJAKSA-N 1 0 390.505 4.152 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000411725243 823600386 /nfs/dbraw/zinc/60/03/86/823600386.db2.gz NPWKOBKGDXYRGK-DNVCBOLYSA-N 1 0 383.448 4.015 20 5 GIBDRO C[C@@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412062187 823625358 /nfs/dbraw/zinc/62/53/58/823625358.db2.gz BSHNUGZCLSQBEB-WQVCFCJDSA-N 1 0 388.468 4.278 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000062238415 823625687 /nfs/dbraw/zinc/62/56/87/823625687.db2.gz QAYZOEBXPUQCJR-VXGBXAGGSA-N 1 0 381.354 4.291 20 5 GIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000461442312 823638456 /nfs/dbraw/zinc/63/84/56/823638456.db2.gz FWDOYCVHJIFWFI-INIZCTEOSA-N 1 0 382.233 4.211 20 5 GIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000124988348 823643006 /nfs/dbraw/zinc/64/30/06/823643006.db2.gz BNHUNFXMNYSOAJ-UHFFFAOYSA-N 1 0 391.855 4.221 20 5 GIBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000063483159 823675512 /nfs/dbraw/zinc/67/55/12/823675512.db2.gz LZKWIOXAMVNJDO-NRFANRHFSA-N 1 0 397.475 4.468 20 5 GIBDRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000063558663 823679169 /nfs/dbraw/zinc/67/91/69/823679169.db2.gz VPPMINCGPIYXRA-UHFFFAOYSA-N 1 0 390.867 4.095 20 5 GIBDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cccc([N+](=O)[O-])c1 ZINC000165015850 823830316 /nfs/dbraw/zinc/83/03/16/823830316.db2.gz QCRRTDHJGWILQV-NRFANRHFSA-N 1 0 393.443 4.359 20 5 GIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000574804653 823832213 /nfs/dbraw/zinc/83/22/13/823832213.db2.gz OJNWCWBEBSQZTD-GOSISDBHSA-N 1 0 381.432 4.120 20 5 GIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)c1 ZINC000064637302 823855815 /nfs/dbraw/zinc/85/58/15/823855815.db2.gz NFVYODZAAPHIDL-CVDCTZTESA-N 1 0 392.455 4.325 20 5 GIBDRO COc1cc(C[NH2+]C[C@H]2CCSC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000574956530 823870504 /nfs/dbraw/zinc/87/05/04/823870504.db2.gz IKLMGXHPHQWXQE-QGZVFWFLSA-N 1 0 388.489 4.025 20 5 GIBDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000126637011 823917017 /nfs/dbraw/zinc/91/70/17/823917017.db2.gz XPYQTHUDHRZSLN-LBPRGKRZSA-N 1 0 381.354 4.121 20 5 GIBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000462435052 823974131 /nfs/dbraw/zinc/97/41/31/823974131.db2.gz DHWIUJOVVMLMQV-GHTZIAJQSA-N 1 0 393.487 4.175 20 5 GIBDRO Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000575742671 823984686 /nfs/dbraw/zinc/98/46/86/823984686.db2.gz LGWDGQMKGGXCGI-UHFFFAOYSA-N 1 0 399.344 4.180 20 5 GIBDRO CC(C)Oc1ccc([C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000576022546 824051756 /nfs/dbraw/zinc/05/17/56/824051756.db2.gz KCHFHHNXBWPHPP-QZQRZDCMSA-N 1 0 383.492 4.288 20 5 GIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc(C)c4[N+](=O)[O-])CC3)CC2)cc1 ZINC001164758870 721042753 /nfs/dbraw/zinc/04/27/53/721042753.db2.gz COIISBOZKMZWQA-UHFFFAOYSA-N 1 0 394.519 4.489 20 5 GIBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000175861604 823057808 /nfs/dbraw/zinc/05/78/08/823057808.db2.gz QJAVZHGFCVWEDU-UHFFFAOYSA-N 1 0 390.406 4.031 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br ZINC000056196189 823100706 /nfs/dbraw/zinc/10/07/06/823100706.db2.gz LDTJVAFADGOVOL-NWDGAFQWSA-N 1 0 392.253 4.035 20 5 GIBDRO CCOc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1OC(F)F ZINC000570985792 823115960 /nfs/dbraw/zinc/11/59/60/823115960.db2.gz OIDXADUKWFHVHZ-HNNXBMFYSA-N 1 0 378.375 4.372 20 5 GIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000176222962 823156627 /nfs/dbraw/zinc/15/66/27/823156627.db2.gz SVWOVOZYHUOQEC-ZDUSSCGKSA-N 1 0 375.856 4.107 20 5 GIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176264405 823166908 /nfs/dbraw/zinc/16/69/08/823166908.db2.gz ABOPDCQOMHJCIB-UHFFFAOYSA-N 1 0 380.876 4.167 20 5 GIBDRO CSc1cccc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000188131066 823191127 /nfs/dbraw/zinc/19/11/27/823191127.db2.gz XAIJSXCZBMZFCH-AWEZNQCLSA-N 1 0 387.505 4.176 20 5 GIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459465846 823197867 /nfs/dbraw/zinc/19/78/67/823197867.db2.gz XYIPJVRRVDNKPO-UHFFFAOYSA-N 1 0 391.475 4.301 20 5 GIBDRO Cc1cc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000409528405 823242296 /nfs/dbraw/zinc/24/22/96/823242296.db2.gz PGXGSBXXCMCPEY-INIZCTEOSA-N 1 0 392.459 4.107 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCCO)Cc2ccccn2)s1 ZINC000571840896 823243391 /nfs/dbraw/zinc/24/33/91/823243391.db2.gz ALMWAPDOFITHDF-UHFFFAOYSA-N 1 0 383.473 4.103 20 5 GIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459665204 823245370 /nfs/dbraw/zinc/24/53/70/823245370.db2.gz JWULQODBTNEQDE-OAHLLOKOSA-N 1 0 381.432 4.460 20 5 GIBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008003822 817979308 /nfs/dbraw/zinc/97/93/08/817979308.db2.gz WICQKMWTEJUXGP-GOSISDBHSA-N 1 0 379.819 4.313 20 5 GIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000008227031 818020294 /nfs/dbraw/zinc/02/02/94/818020294.db2.gz VZRLGXXPQCYOSF-MCYUEQNJSA-N 1 0 387.402 4.355 20 5 GIBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000015647365 818354614 /nfs/dbraw/zinc/35/46/14/818354614.db2.gz PIQKNLCHRJIDCE-UHFFFAOYSA-N 1 0 379.888 4.167 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000016468678 818445642 /nfs/dbraw/zinc/44/56/42/818445642.db2.gz OFHYODAZKYVABY-SFHVURJKSA-N 1 0 375.856 4.061 20 5 GIBDRO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000018186132 818555295 /nfs/dbraw/zinc/55/52/95/818555295.db2.gz MEHOLNSYUFHWRP-SFHVURJKSA-N 1 0 387.505 4.168 20 5 GIBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1OC ZINC000572706644 823386273 /nfs/dbraw/zinc/38/62/73/823386273.db2.gz AUIREQJCTANPIT-ZDUSSCGKSA-N 1 0 378.856 4.467 20 5 GIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000058520693 823403300 /nfs/dbraw/zinc/40/33/00/823403300.db2.gz BGSXHLCRKAZBMT-MRXNPFEDSA-N 1 0 382.464 4.291 20 5 GIBDRO C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025216210 819944081 /nfs/dbraw/zinc/94/40/81/819944081.db2.gz XWJOAJLMFLFZQE-FZMZJTMJSA-N 1 0 391.880 4.402 20 5 GIBDRO C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025216153 819944152 /nfs/dbraw/zinc/94/41/52/819944152.db2.gz WXECJPIXTDNESN-MEDUHNTESA-N 1 0 391.880 4.402 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026225770 820071613 /nfs/dbraw/zinc/07/16/13/820071613.db2.gz XNZQXYBYFYHOSQ-UHFFFAOYSA-N 1 0 395.381 4.383 20 5 GIBDRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000027739529 820281422 /nfs/dbraw/zinc/28/14/22/820281422.db2.gz RNIPNJJSQVYCRA-UHFFFAOYSA-N 1 0 391.855 4.026 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000058949259 823474331 /nfs/dbraw/zinc/47/43/31/823474331.db2.gz JHMRYFXTHDAUBN-MRXNPFEDSA-N 1 0 381.476 4.065 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3)CCCC2)cccc1[N+](=O)[O-] ZINC000029711101 820503089 /nfs/dbraw/zinc/50/30/89/820503089.db2.gz BDOAGIXPLSXQKX-QGZVFWFLSA-N 1 0 381.476 4.332 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000460722249 823494831 /nfs/dbraw/zinc/49/48/31/823494831.db2.gz YGEVTWDRNXUACN-UHFFFAOYSA-N 1 0 381.476 4.065 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccccc1Cl ZINC000032317625 820913882 /nfs/dbraw/zinc/91/38/82/820913882.db2.gz ASCUXTLRGJDVAW-SFHVURJKSA-N 1 0 389.883 4.370 20 5 GIBDRO CNC(=O)c1cccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000123553356 823520601 /nfs/dbraw/zinc/52/06/01/823520601.db2.gz CBRUGHOOIREKAM-UHFFFAOYSA-N 1 0 395.484 4.015 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOC[C@H]3CCOC3)o2)c(Cl)c1 ZINC000123701085 823533073 /nfs/dbraw/zinc/53/30/73/823533073.db2.gz ZGGWXSGARMMRDK-CQSZACIVSA-N 1 0 394.855 4.041 20 5 GIBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342222 821395476 /nfs/dbraw/zinc/39/54/76/821395476.db2.gz GQMOSZGKXMPYIY-UHFFFAOYSA-N 1 0 388.855 4.166 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000180736411 821424991 /nfs/dbraw/zinc/42/49/91/821424991.db2.gz MPVKCWBBNQMXIU-UHFFFAOYSA-N 1 0 387.505 4.087 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000180808199 821470893 /nfs/dbraw/zinc/47/08/93/821470893.db2.gz VUUDCMNQVDNMHW-UHFFFAOYSA-N 1 0 379.526 4.088 20 5 GIBDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180993186 821580496 /nfs/dbraw/zinc/58/04/96/821580496.db2.gz FQPWJMJVLHJAQL-LSDHHAIUSA-N 1 0 395.463 4.032 20 5 GIBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000181312959 821752061 /nfs/dbraw/zinc/75/20/61/821752061.db2.gz NXPQDHCZEVQQMW-UHFFFAOYSA-N 1 0 379.526 4.090 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181346370 821776316 /nfs/dbraw/zinc/77/63/16/821776316.db2.gz BZZRSHLAKOSFPZ-UHFFFAOYSA-N 1 0 391.537 4.043 20 5 GIBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181389405 821801077 /nfs/dbraw/zinc/80/10/77/821801077.db2.gz FKXKIIRNBCHTML-DLBZAZTESA-N 1 0 379.254 4.132 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000181505237 821857134 /nfs/dbraw/zinc/85/71/34/821857134.db2.gz CARQTMNRVGWRJN-UHFFFAOYSA-N 1 0 391.537 4.232 20 5 GIBDRO Cc1c(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000181538182 821872429 /nfs/dbraw/zinc/87/24/29/821872429.db2.gz AZDUSFUMRHGTGA-UHFFFAOYSA-N 1 0 397.479 4.069 20 5 GIBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181689895 821945521 /nfs/dbraw/zinc/94/55/21/821945521.db2.gz XNOBTZKBZHTESF-INIZCTEOSA-N 1 0 393.553 4.193 20 5 GIBDRO CCC[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181799552 821997709 /nfs/dbraw/zinc/99/77/09/821997709.db2.gz XIFWXZPPOANFGL-WIYYLYMNSA-N 1 0 381.476 4.074 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000181826510 822008098 /nfs/dbraw/zinc/00/80/98/822008098.db2.gz GEYURIKCZWSMMA-ZIAGYGMSSA-N 1 0 375.856 4.085 20 5 GIBDRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835575 822012331 /nfs/dbraw/zinc/01/23/31/822012331.db2.gz JSIFFFPCBLRHQZ-PBHICJAKSA-N 1 0 387.505 4.151 20 5 GIBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000182536697 822289094 /nfs/dbraw/zinc/28/90/94/822289094.db2.gz FTGIJOBNXHGDFI-LJQANCHMSA-N 1 0 387.867 4.368 20 5 GIBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC ZINC000178652247 822399693 /nfs/dbraw/zinc/39/96/93/822399693.db2.gz NTFGCFXNTQLPAC-LLVKDONJSA-N 1 0 395.253 4.225 20 5 GIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178669819 822401398 /nfs/dbraw/zinc/40/13/98/822401398.db2.gz XZPSPHFZFYQDCZ-MBSDFSHPSA-N 1 0 385.511 4.477 20 5 GIBDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178684224 822402718 /nfs/dbraw/zinc/40/27/18/822402718.db2.gz SBOOUOMXWVIZTL-AWEZNQCLSA-N 1 0 387.867 4.204 20 5 GIBDRO Cc1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000183073551 822420703 /nfs/dbraw/zinc/42/07/03/822420703.db2.gz YBZXTAISLBRUEE-KRWDZBQOSA-N 1 0 383.492 4.281 20 5 GIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000183310793 822457183 /nfs/dbraw/zinc/45/71/83/822457183.db2.gz ZCDXXCGNRKDLFE-UHFFFAOYSA-N 1 0 395.503 4.420 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccc3OC)CC2)cc1[N+](=O)[O-] ZINC000179414227 822479292 /nfs/dbraw/zinc/47/92/92/822479292.db2.gz LHDKFMJAUNPHEV-MRXNPFEDSA-N 1 0 399.491 4.322 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000183613328 822501460 /nfs/dbraw/zinc/50/14/60/822501460.db2.gz VQSKNCOLSQDHAP-VGOFRKELSA-N 1 0 384.476 4.318 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179592240 822508755 /nfs/dbraw/zinc/50/87/55/822508755.db2.gz LHRHZVZMOVSRMM-ZDUSSCGKSA-N 1 0 393.390 4.184 20 5 GIBDRO Cc1c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000179599798 822510180 /nfs/dbraw/zinc/51/01/80/822510180.db2.gz AKMNIEOXZFCJJS-ZFWWWQNUSA-N 1 0 376.482 4.064 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCN(c4nccs4)CC3)o2)c1 ZINC000179609091 822512128 /nfs/dbraw/zinc/51/21/28/822512128.db2.gz SDMUXRSUKNFPFJ-UHFFFAOYSA-N 1 0 384.461 4.024 20 5 GIBDRO C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(C(F)(F)F)c1 ZINC000179692921 822528729 /nfs/dbraw/zinc/52/87/29/822528729.db2.gz MVGKJNYZWOVWQK-LLVKDONJSA-N 1 0 382.338 4.331 20 5 GIBDRO CC(C)C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000179717121 822534061 /nfs/dbraw/zinc/53/40/61/822534061.db2.gz QQIBGAIVDQMSKN-QGZVFWFLSA-N 1 0 375.856 4.224 20 5 GIBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1OC(F)F ZINC000179718808 822534598 /nfs/dbraw/zinc/53/45/98/822534598.db2.gz GNHUEZIZYBXENI-HNNXBMFYSA-N 1 0 393.390 4.184 20 5 GIBDRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(C)c2c1 ZINC000184324871 822615328 /nfs/dbraw/zinc/61/53/28/822615328.db2.gz VLQQUROIAKKGTQ-CQSZACIVSA-N 1 0 397.431 4.256 20 5 GIBDRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184325012 822615525 /nfs/dbraw/zinc/61/55/25/822615525.db2.gz YHLUBIKFNQGLDN-KBPBESRZSA-N 1 0 397.431 4.336 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000180155024 822628439 /nfs/dbraw/zinc/62/84/39/822628439.db2.gz XVWXTNNYWBIJJX-HNAYVOBHSA-N 1 0 393.409 4.158 20 5 GIBDRO Cc1ccc(-c2noc(CCC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000180429543 822680320 /nfs/dbraw/zinc/68/03/20/822680320.db2.gz UDSRXBHNQAPDSL-CQSZACIVSA-N 1 0 384.411 4.376 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184881968 822706421 /nfs/dbraw/zinc/70/64/21/822706421.db2.gz CPLTVDZMVAGTOC-CABCVRRESA-N 1 0 394.431 4.236 20 5 GIBDRO C[NH+](C)Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000050559088 822733679 /nfs/dbraw/zinc/73/36/79/822733679.db2.gz AOEWELXTHPNKTO-UHFFFAOYSA-N 1 0 382.445 4.032 20 5 GIBDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000174291643 822764340 /nfs/dbraw/zinc/76/43/40/822764340.db2.gz AHRHAOJNKLHVHB-UHFFFAOYSA-N 1 0 388.493 4.083 20 5 GIBDRO CC(=O)c1ccc(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052314560 822795910 /nfs/dbraw/zinc/79/59/10/822795910.db2.gz DSLKAAIHXSUNSI-IYBDPMFKSA-N 1 0 397.475 4.019 20 5 GIBDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000052712390 822808223 /nfs/dbraw/zinc/80/82/23/822808223.db2.gz BQXLLUOUKDEZGM-ZIAGYGMSSA-N 1 0 397.431 4.418 20 5 GIBDRO COc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C2CC2)cc1 ZINC000053097831 822821676 /nfs/dbraw/zinc/82/16/76/822821676.db2.gz KROQAMRGKQNLHL-OAHLLOKOSA-N 1 0 398.459 4.271 20 5 GIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054355288 822877919 /nfs/dbraw/zinc/87/79/19/822877919.db2.gz SSICTZOEIGNTQL-HIFRSBDPSA-N 1 0 388.855 4.205 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000054394284 822881826 /nfs/dbraw/zinc/88/18/26/822881826.db2.gz WGNVABPBSAXGIT-UHFFFAOYSA-N 1 0 391.265 4.153 20 5 GIBDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000175122937 822886908 /nfs/dbraw/zinc/88/69/08/822886908.db2.gz NOFZIXNQHTYXJH-IBGZPJMESA-N 1 0 380.448 4.358 20 5 GIBDRO Cn1nc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000186485420 822903085 /nfs/dbraw/zinc/90/30/85/822903085.db2.gz ARPDRHUXDRLIAA-QHCPKHFHSA-N 1 0 386.455 4.403 20 5 GIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103075 822938561 /nfs/dbraw/zinc/93/85/61/822938561.db2.gz DDBZJZKDEBVGTF-CQSZACIVSA-N 1 0 394.431 4.291 20 5 GIBDRO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000186820565 822961004 /nfs/dbraw/zinc/96/10/04/822961004.db2.gz REOGVLGZTMUAMD-DNVCBOLYSA-N 1 0 387.480 4.399 20 5 GIBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000458199772 822967934 /nfs/dbraw/zinc/96/79/34/822967934.db2.gz JQSHNZIYLBSITD-UHFFFAOYSA-N 1 0 389.502 4.075 20 5 GIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnn(Cc2ccccc2)c1 ZINC000570197163 823014384 /nfs/dbraw/zinc/01/43/84/823014384.db2.gz UQBXRSUSTJMBES-INIZCTEOSA-N 1 0 389.459 4.214 20 5 GIBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570247483 823018890 /nfs/dbraw/zinc/01/88/90/823018890.db2.gz COGALFXVTMXOFU-DLBZAZTESA-N 1 0 397.475 4.118 20 5 GIBDRO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000187207837 823024890 /nfs/dbraw/zinc/02/48/90/823024890.db2.gz KNMTUWYCEXQCCB-SJCJKPOMSA-N 1 0 395.381 4.035 20 5 GIBDRO COc1c(Br)cccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000187285243 823036977 /nfs/dbraw/zinc/03/69/77/823036977.db2.gz ZNDOCDRYHWFRCC-UHFFFAOYSA-N 1 0 379.254 4.391 20 5 GIBDRO O=[N+]([O-])c1cc(CNC2CC[NH+](C3CC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000123952408 823554763 /nfs/dbraw/zinc/55/47/63/823554763.db2.gz YKIAVIARHWEBKA-UHFFFAOYSA-N 1 0 385.439 4.243 20 5 GIBDRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411318264 823564301 /nfs/dbraw/zinc/56/43/01/823564301.db2.gz CAWGMMQWBXLWIZ-CYBMUJFWSA-N 1 0 384.461 4.226 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000124159927 823573114 /nfs/dbraw/zinc/57/31/14/823573114.db2.gz KRAPWXUMEFCWDO-UHFFFAOYSA-N 1 0 391.537 4.091 20 5 GIBDRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411446143 823575001 /nfs/dbraw/zinc/57/50/01/823575001.db2.gz BOVKUURKTNNYJZ-MRXNPFEDSA-N 1 0 381.354 4.207 20 5 GIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc1[N+](=O)[O-] ZINC000190446624 823575315 /nfs/dbraw/zinc/57/53/15/823575315.db2.gz FLYLRUGEHDISRX-NSHDSACASA-N 1 0 395.253 4.225 20 5 GIBDRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000461095837 823576104 /nfs/dbraw/zinc/57/61/04/823576104.db2.gz DSTLPTLBGRMVGO-WMLDXEAASA-N 1 0 390.505 4.152 20 5 GIBDRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000411456610 823576821 /nfs/dbraw/zinc/57/68/21/823576821.db2.gz MODIXJKCCWBEBE-OAHLLOKOSA-N 1 0 399.344 4.346 20 5 GIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCCCF)c1ccccc1 ZINC000461099567 823577034 /nfs/dbraw/zinc/57/70/34/823577034.db2.gz SYGAEMYTYVXJGR-KRWDZBQOSA-N 1 0 379.819 4.267 20 5 GIBDRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000190565711 823586958 /nfs/dbraw/zinc/58/69/58/823586958.db2.gz ORNNDBHFECEWMZ-UHFFFAOYSA-N 1 0 380.448 4.099 20 5 GIBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)cc1 ZINC000061503122 823600200 /nfs/dbraw/zinc/60/02/00/823600200.db2.gz KRPIERJVYVILOT-LJQANCHMSA-N 1 0 387.867 4.124 20 5 GIBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000190937350 823627024 /nfs/dbraw/zinc/62/70/24/823627024.db2.gz LQGCZWMAXFBFKX-YPMHNXCESA-N 1 0 395.253 4.274 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000191322755 823671597 /nfs/dbraw/zinc/67/15/97/823671597.db2.gz CBFNWTMJTVGORG-SFHVURJKSA-N 1 0 388.512 4.332 20 5 GIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461717038 823686755 /nfs/dbraw/zinc/68/67/55/823686755.db2.gz RDOANIGJSMHKHJ-GOSISDBHSA-N 1 0 398.507 4.035 20 5 GIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-n2cc(Cl)cn2)n1 ZINC000191528238 823695700 /nfs/dbraw/zinc/69/57/00/823695700.db2.gz FNEOKIJUHKLTEF-CQSZACIVSA-N 1 0 385.855 4.297 20 5 GIBDRO CCOC(=O)c1csc(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000191567225 823701040 /nfs/dbraw/zinc/70/10/40/823701040.db2.gz CEJMNNLKZFYYPV-CYBMUJFWSA-N 1 0 389.477 4.169 20 5 GIBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413208830 823728105 /nfs/dbraw/zinc/72/81/05/823728105.db2.gz SLYQKYRPQTWDTJ-LBPRGKRZSA-N 1 0 395.385 4.041 20 5 GIBDRO Cc1cc(N2CCC[C@@](CO)(Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000461884748 823738182 /nfs/dbraw/zinc/73/81/82/823738182.db2.gz DHMDWKPPHWRTOR-HSZRJFAPSA-N 1 0 391.471 4.273 20 5 GIBDRO Cc1ccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000126160386 823802441 /nfs/dbraw/zinc/80/24/41/823802441.db2.gz IHLWSDITNYUKDR-UHFFFAOYSA-N 1 0 396.491 4.330 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192107631 823862873 /nfs/dbraw/zinc/86/28/73/823862873.db2.gz KHEDBMQKIRUHKY-AEFFLSMTSA-N 1 0 380.803 4.016 20 5 GIBDRO CCC[C@H]([NH2+]C1CCN(C(=O)C(CC)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000166069100 823869143 /nfs/dbraw/zinc/86/91/43/823869143.db2.gz AGTBJQZPINSZBI-FQEVSTJZSA-N 1 0 375.513 4.453 20 5 GIBDRO COc1cc(C[NH2+][C@@H]2CS[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414496884 823995187 /nfs/dbraw/zinc/99/51/87/823995187.db2.gz DYVWVIJXTJLZTO-YOEHRIQHSA-N 1 0 388.489 4.166 20 5 GIBDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)CC1 ZINC000192503291 824013216 /nfs/dbraw/zinc/01/32/16/824013216.db2.gz BZRYELZPVPMFKJ-UHFFFAOYSA-N 1 0 396.494 4.392 20 5 GIBDRO CC(C)Oc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000414955253 824053679 /nfs/dbraw/zinc/05/36/79/824053679.db2.gz OCPDTFQLIMRGAO-SFHVURJKSA-N 1 0 395.459 4.007 20 5 GIBDRO Cc1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164621936 719070105 /nfs/dbraw/zinc/07/01/05/719070105.db2.gz IIZWIDRMMUQNQC-SJORKVTESA-N 1 0 386.883 4.052 20 5 GIBDRO O=[N+]([O-])c1ccc2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001164623630 719071427 /nfs/dbraw/zinc/07/14/27/719071427.db2.gz KASLHRQILKXKKK-SIKLNZKXSA-N 1 0 388.471 4.244 20 5 GIBDRO O=[N+]([O-])c1cccc2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC001164624386 719074918 /nfs/dbraw/zinc/07/49/18/719074918.db2.gz LPRVWSOFJOTPJZ-FPOVZHCZSA-N 1 0 388.471 4.244 20 5 GIBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001164635687 719199244 /nfs/dbraw/zinc/19/92/44/719199244.db2.gz LGSFFJSQGVOCPF-VXGBXAGGSA-N 1 0 394.834 4.103 20 5 GIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165049195 721979065 /nfs/dbraw/zinc/97/90/65/721979065.db2.gz IEZDCVNKTGPDDZ-AWEZNQCLSA-N 1 0 389.887 4.036 20 5 GIBDRO CC(C)C[N@@H+]1CCC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120754914 823057421 /nfs/dbraw/zinc/05/74/21/823057421.db2.gz TXXAHLFPOHUWKG-INIZCTEOSA-N 1 0 388.537 4.176 20 5 GIBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056042623 823081413 /nfs/dbraw/zinc/08/14/13/823081413.db2.gz JLXMOCJZABBXND-UHFFFAOYSA-N 1 0 397.475 4.031 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000570760992 823082627 /nfs/dbraw/zinc/08/26/27/823082627.db2.gz DHOAXXABBSAAEV-QGZVFWFLSA-N 1 0 396.422 4.472 20 5 GIBDRO COc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(SC)cc1OC ZINC000175984298 823088769 /nfs/dbraw/zinc/08/87/69/823088769.db2.gz SIQPTPTYMLKZQP-UHFFFAOYSA-N 1 0 376.478 4.359 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000056163516 823093797 /nfs/dbraw/zinc/09/37/97/823093797.db2.gz QMIFOMPIZOURMZ-JKSUJKDBSA-N 1 0 385.464 4.368 20 5 GIBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121419215 823181296 /nfs/dbraw/zinc/18/12/96/823181296.db2.gz YKEWEXJOTLRDMD-BBRMVZONSA-N 1 0 382.395 4.162 20 5 GIBDRO CSc1cccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000188161752 823196363 /nfs/dbraw/zinc/19/63/63/823196363.db2.gz ZLBKSEHXUPHKOG-HOTGVXAUSA-N 1 0 391.537 4.043 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571573023 823202454 /nfs/dbraw/zinc/20/24/54/823202454.db2.gz KIRNKAYVKGRAAQ-LPHOPBHVSA-N 1 0 396.491 4.332 20 5 GIBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1-n1cccn1 ZINC000121880341 823269360 /nfs/dbraw/zinc/26/93/60/823269360.db2.gz ZSEDWUZGAOIURJ-QGZVFWFLSA-N 1 0 391.475 4.100 20 5 GIBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000176697631 823270528 /nfs/dbraw/zinc/27/05/28/823270528.db2.gz OTZYRNMPZSYVBC-UHFFFAOYSA-N 1 0 391.515 4.007 20 5 GIBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000122013652 823293404 /nfs/dbraw/zinc/29/34/04/823293404.db2.gz ZWQMXVJFQLDUEI-CQSZACIVSA-N 1 0 390.509 4.252 20 5 GIBDRO COc1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000176811839 823299083 /nfs/dbraw/zinc/29/90/83/823299083.db2.gz HBCMAFAFNBPYDE-UHFFFAOYSA-N 1 0 399.491 4.087 20 5 GIBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008003764 817979235 /nfs/dbraw/zinc/97/92/35/817979235.db2.gz YLNUSRDHBDWNEJ-GOSISDBHSA-N 1 0 379.819 4.313 20 5 GIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000409756312 823299924 /nfs/dbraw/zinc/29/99/24/823299924.db2.gz UWAVBPBMZNOFJN-UHFFFAOYSA-N 1 0 390.871 4.412 20 5 GIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000011048237 818047742 /nfs/dbraw/zinc/04/77/42/818047742.db2.gz BOJVTBPSRAGXPI-WBMJQRKESA-N 1 0 391.855 4.325 20 5 GIBDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015499713 818330757 /nfs/dbraw/zinc/33/07/57/818330757.db2.gz DHSYQDXQWLXUSP-STQMWFEESA-N 1 0 391.855 4.243 20 5 GIBDRO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016483781 818448355 /nfs/dbraw/zinc/44/83/55/818448355.db2.gz KBYDWTQFDLAXJJ-INIZCTEOSA-N 1 0 375.428 4.301 20 5 GIBDRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000018186130 818555284 /nfs/dbraw/zinc/55/52/84/818555284.db2.gz ZZQKVIISHXFSLN-SFHVURJKSA-N 1 0 387.505 4.168 20 5 GIBDRO CCOc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1OC(F)F ZINC000572616983 823369639 /nfs/dbraw/zinc/36/96/39/823369639.db2.gz MTJQFLPRBBIVOM-HNNXBMFYSA-N 1 0 378.375 4.372 20 5 GIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(-c3cccnc3)c2)n1 ZINC000572689530 823383573 /nfs/dbraw/zinc/38/35/73/823383573.db2.gz UDMVTSMLHRPVKH-WOJBJXKFSA-N 1 0 377.448 4.127 20 5 GIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000573056429 823441476 /nfs/dbraw/zinc/44/14/76/823441476.db2.gz DONYGJBKWWLWRR-JTQLQIEISA-N 1 0 384.661 4.299 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)o1 ZINC000189608901 823457122 /nfs/dbraw/zinc/45/71/22/823457122.db2.gz RZHKLMDTHSKIFH-UGSOOPFHSA-N 1 0 398.381 4.428 20 5 GIBDRO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000027573001 820261250 /nfs/dbraw/zinc/26/12/50/820261250.db2.gz GHGZIWAPQZXUBO-KRWDZBQOSA-N 1 0 387.505 4.168 20 5 GIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177475494 823471425 /nfs/dbraw/zinc/47/14/25/823471425.db2.gz KNNMKGOHEDGQKB-IHRRRGAJSA-N 1 0 375.856 4.357 20 5 GIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000573373831 823486175 /nfs/dbraw/zinc/48/61/75/823486175.db2.gz KRNRNBYOVDZBAY-OAHLLOKOSA-N 1 0 393.553 4.145 20 5 GIBDRO COc1ccccc1NC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029907461 820545423 /nfs/dbraw/zinc/54/54/23/820545423.db2.gz DRJVVFVAEHYAJG-HNNXBMFYSA-N 1 0 383.448 4.015 20 5 GIBDRO CC(=O)c1ccc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000030001671 820566113 /nfs/dbraw/zinc/56/61/13/820566113.db2.gz UHDIMEVMIQUQJT-IYBDPMFKSA-N 1 0 397.475 4.019 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000460714165 823492343 /nfs/dbraw/zinc/49/23/43/823492343.db2.gz NZZHHOBVWMIXGX-KRWDZBQOSA-N 1 0 381.476 4.208 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000059410387 823495843 /nfs/dbraw/zinc/49/58/43/823495843.db2.gz PMKZHIZTYVRJDE-IAGOWNOFSA-N 1 0 395.503 4.311 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000032317089 820914040 /nfs/dbraw/zinc/91/40/40/820914040.db2.gz OUSOJGVTJXVWOM-SFHVURJKSA-N 1 0 375.856 4.061 20 5 GIBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000060371423 823520940 /nfs/dbraw/zinc/52/09/40/823520940.db2.gz FJYVGUWLWIMBMN-UHFFFAOYSA-N 1 0 379.435 4.416 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOC[C@@H]3CCOC3)o2)c(Cl)c1 ZINC000123700880 823532911 /nfs/dbraw/zinc/53/29/11/823532911.db2.gz ZGGWXSGARMMRDK-AWEZNQCLSA-N 1 0 394.855 4.041 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000180690138 821396592 /nfs/dbraw/zinc/39/65/92/821396592.db2.gz TUJWROUYOPEUNN-PXAZEXFGSA-N 1 0 398.381 4.397 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000180716040 821414152 /nfs/dbraw/zinc/41/41/52/821414152.db2.gz JSQDKSKQPPLSFW-OAHLLOKOSA-N 1 0 393.534 4.190 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000180892138 821518559 /nfs/dbraw/zinc/51/85/59/821518559.db2.gz YWPNPGQAHYZZFO-HOTGVXAUSA-N 1 0 390.443 4.335 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)C1CC1 ZINC000181007259 821589314 /nfs/dbraw/zinc/58/93/14/821589314.db2.gz IFPIPKQPFZCXAP-SFHVURJKSA-N 1 0 394.500 4.267 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181467748 821839980 /nfs/dbraw/zinc/83/99/80/821839980.db2.gz DGWHGCKKNSJSPD-MRXNPFEDSA-N 1 0 391.537 4.043 20 5 GIBDRO C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000181587335 821891563 /nfs/dbraw/zinc/89/15/63/821891563.db2.gz NWYODLNOZUDZKQ-JTSKRJEESA-N 1 0 394.519 4.126 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000181839774 822013637 /nfs/dbraw/zinc/01/36/37/822013637.db2.gz LDQYVXWLMWBSBG-KGLIPLIRSA-N 1 0 375.856 4.085 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000181881907 822025159 /nfs/dbraw/zinc/02/51/59/822025159.db2.gz QPPMWYOTCLFEOH-KRWDZBQOSA-N 1 0 396.491 4.183 20 5 GIBDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000182137185 822112024 /nfs/dbraw/zinc/11/20/24/822112024.db2.gz KVYRGBVHSNVIHM-CYBMUJFWSA-N 1 0 389.477 4.005 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000177968781 822262117 /nfs/dbraw/zinc/26/21/17/822262117.db2.gz RCYFCACMYRDYSC-QHCPKHFHSA-N 1 0 393.531 4.213 20 5 GIBDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC000182864846 822381603 /nfs/dbraw/zinc/38/16/03/822381603.db2.gz GROPDSKCCGUZIU-HNNXBMFYSA-N 1 0 387.505 4.229 20 5 GIBDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178870570 822417853 /nfs/dbraw/zinc/41/78/53/822417853.db2.gz YQJRDBSUGRSUAC-OAQYLSRUSA-N 1 0 377.444 4.207 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000183437180 822474941 /nfs/dbraw/zinc/47/49/41/822474941.db2.gz ZMPHTEYFLUFCNG-UHFFFAOYSA-N 1 0 394.397 4.076 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000179530819 822497961 /nfs/dbraw/zinc/49/79/61/822497961.db2.gz JZFAPLCDMNTAFX-MRXNPFEDSA-N 1 0 385.464 4.370 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179595114 822509366 /nfs/dbraw/zinc/50/93/66/822509366.db2.gz OBFPXQRUWSYVSO-ZDUSSCGKSA-N 1 0 393.390 4.184 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000179599582 822510304 /nfs/dbraw/zinc/51/03/04/822510304.db2.gz PAVBSYRIOXCZCI-UKRRQHHQSA-N 1 0 376.482 4.064 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000179599551 822510310 /nfs/dbraw/zinc/51/03/10/822510310.db2.gz PAVBSYRIOXCZCI-HIFRSBDPSA-N 1 0 376.482 4.064 20 5 GIBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1OC(F)F ZINC000179718822 822534494 /nfs/dbraw/zinc/53/44/94/822534494.db2.gz GNHUEZIZYBXENI-OAHLLOKOSA-N 1 0 393.390 4.184 20 5 GIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179723488 822535360 /nfs/dbraw/zinc/53/53/60/822535360.db2.gz RCZNQNCQWOSOKJ-TZMCWYRMSA-N 1 0 393.390 4.264 20 5 GIBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179780582 822551446 /nfs/dbraw/zinc/55/14/46/822551446.db2.gz UVALLLAWGGFSBX-HNNXBMFYSA-N 1 0 383.448 4.063 20 5 GIBDRO CC[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000184089368 822576066 /nfs/dbraw/zinc/57/60/66/822576066.db2.gz JQASREWCGNRIIE-SFHVURJKSA-N 1 0 384.411 4.457 20 5 GIBDRO C[NH+](C)CCCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184219688 822598201 /nfs/dbraw/zinc/59/82/01/822598201.db2.gz OPXMTPQMCAJEAI-UHFFFAOYSA-N 1 0 393.896 4.081 20 5 GIBDRO CCOc1ccccc1C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000180038972 822602464 /nfs/dbraw/zinc/60/24/64/822602464.db2.gz MZLLKRLXTLHAOO-UHFFFAOYSA-N 1 0 380.448 4.026 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184384013 822625736 /nfs/dbraw/zinc/62/57/36/822625736.db2.gz AHIYWFRTIJDTRW-CYBMUJFWSA-N 1 0 399.472 4.498 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cccc1[N+](=O)[O-] ZINC000184461632 822639656 /nfs/dbraw/zinc/63/96/56/822639656.db2.gz SLDDWZRXBZKPQB-ZDUSSCGKSA-N 1 0 390.509 4.337 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180423023 822679085 /nfs/dbraw/zinc/67/90/85/822679085.db2.gz ZCASJQQWVULZFN-KGLIPLIRSA-N 1 0 375.856 4.118 20 5 GIBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000185356983 822770662 /nfs/dbraw/zinc/77/06/62/822770662.db2.gz JDWMXBPHCMEWHH-OAQYLSRUSA-N 1 0 399.466 4.440 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc21 ZINC000456342718 822800408 /nfs/dbraw/zinc/80/04/08/822800408.db2.gz ZENQFZFCKWMCSQ-KRWDZBQOSA-N 1 0 393.365 4.415 20 5 GIBDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000052823973 822812335 /nfs/dbraw/zinc/81/23/35/822812335.db2.gz IBDYVJZHSAXTPK-MRXNPFEDSA-N 1 0 399.466 4.132 20 5 GIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000052833884 822812431 /nfs/dbraw/zinc/81/24/31/822812431.db2.gz ZAWJMGINDPHJJZ-UHFFFAOYSA-N 1 0 391.265 4.153 20 5 GIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccccc1 ZINC000174671996 822821464 /nfs/dbraw/zinc/82/14/64/822821464.db2.gz HMCYRNNZYCQUTL-FQEVSTJZSA-N 1 0 398.463 4.046 20 5 GIBDRO COc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C2CC2)cc1 ZINC000053097829 822821622 /nfs/dbraw/zinc/82/16/22/822821622.db2.gz KROQAMRGKQNLHL-HNNXBMFYSA-N 1 0 398.459 4.271 20 5 GIBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175062956 822876046 /nfs/dbraw/zinc/87/60/46/822876046.db2.gz CERAOQUEVRHCOM-MAUKXSAKSA-N 1 0 375.494 4.259 20 5 GIBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175094848 822881334 /nfs/dbraw/zinc/88/13/34/822881334.db2.gz ZJZNUOBAQCEOEQ-UHFFFAOYSA-N 1 0 387.867 4.164 20 5 GIBDRO CSc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186735792 822947369 /nfs/dbraw/zinc/94/73/69/822947369.db2.gz MWYLKWVCIWUQIV-RDJZCZTQSA-N 1 0 399.516 4.100 20 5 GIBDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415415 822963492 /nfs/dbraw/zinc/96/34/92/822963492.db2.gz YPAOXOOXOKVQBP-ZWOKBUDYSA-N 1 0 396.491 4.008 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccsc1 ZINC000175480687 822979080 /nfs/dbraw/zinc/97/90/80/822979080.db2.gz OAWYZEPOQYAWMO-OAHLLOKOSA-N 1 0 381.885 4.123 20 5 GIBDRO Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458289304 822979139 /nfs/dbraw/zinc/97/91/39/822979139.db2.gz QEYYXVZVMRHUDK-UHFFFAOYSA-N 1 0 391.855 4.026 20 5 GIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124095700 823567372 /nfs/dbraw/zinc/56/73/72/823567372.db2.gz KUZXFNXNIKEOFB-NVXWUHKLSA-N 1 0 378.432 4.270 20 5 GIBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000060942125 823568195 /nfs/dbraw/zinc/56/81/95/823568195.db2.gz UYAAWJAKYVFAQU-UWJYYQICSA-N 1 0 389.455 4.495 20 5 GIBDRO C[NH+](C)C(C)(C)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000061015288 823573086 /nfs/dbraw/zinc/57/30/86/823573086.db2.gz IRQLITKCHZTGBN-UHFFFAOYSA-N 1 0 377.872 4.470 20 5 GIBDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412061472 823625117 /nfs/dbraw/zinc/62/51/17/823625117.db2.gz HROYBEPGCHRYAN-CQSZACIVSA-N 1 0 389.452 4.070 20 5 GIBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190951913 823629452 /nfs/dbraw/zinc/62/94/52/823629452.db2.gz FWSMKBANHQPCSL-GHTZIAJQSA-N 1 0 392.459 4.105 20 5 GIBDRO CC(C)Oc1cc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000412303242 823644693 /nfs/dbraw/zinc/64/46/93/823644693.db2.gz LSGXYUZWOLBTPF-QGZVFWFLSA-N 1 0 399.447 4.020 20 5 GIBDRO COc1ccc(C[NH+]2CCC(CNc3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000063282550 823659706 /nfs/dbraw/zinc/65/97/06/823659706.db2.gz VBPPALOVBDFJNT-UHFFFAOYSA-N 1 0 397.475 4.130 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412557179 823661937 /nfs/dbraw/zinc/66/19/37/823661937.db2.gz HQIOYSURSIOVKC-UHFFFAOYSA-N 1 0 377.441 4.160 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000191368710 823677473 /nfs/dbraw/zinc/67/74/73/823677473.db2.gz UJLVQSCGBJIWPL-UHFFFAOYSA-N 1 0 396.491 4.340 20 5 GIBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000125626469 823691164 /nfs/dbraw/zinc/69/11/64/823691164.db2.gz TULIMPBSSPPRSW-SJCJKPOMSA-N 1 0 384.354 4.186 20 5 GIBDRO CCNc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1[N+](=O)[O-] ZINC000163381193 823705345 /nfs/dbraw/zinc/70/53/45/823705345.db2.gz FOKMRGMBYLPZBE-UHFFFAOYSA-N 1 0 382.464 4.183 20 5 GIBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)cccc21 ZINC000413261221 823740624 /nfs/dbraw/zinc/74/06/24/823740624.db2.gz FYOLTCHBLLXNBL-AWEZNQCLSA-N 1 0 382.342 4.137 20 5 GIBDRO COc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000164375289 823798966 /nfs/dbraw/zinc/79/89/66/823798966.db2.gz YJCGQFYTSZOLMY-HXUWFJFHSA-N 1 0 383.448 4.078 20 5 GIBDRO CSc1nnc(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1CC(C)C ZINC000165675078 823858539 /nfs/dbraw/zinc/85/85/39/823858539.db2.gz ONKPWWCDIUOFKH-HNNXBMFYSA-N 1 0 391.541 4.156 20 5 GIBDRO CC1(C)C[C@H]([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000414165860 823921845 /nfs/dbraw/zinc/92/18/45/823921845.db2.gz CXASLNGLSKIDAM-QILLFSRXSA-N 1 0 388.489 4.242 20 5 GIBDRO Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+]1CCCC1 ZINC000575229700 823947718 /nfs/dbraw/zinc/94/77/18/823947718.db2.gz QPBDRQGBLAMTGE-QGZVFWFLSA-N 1 0 397.475 4.120 20 5 GIBDRO CCn1cc[nH+]c1NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000414310069 823955021 /nfs/dbraw/zinc/95/50/21/823955021.db2.gz YTJJZEPJYBOSOO-UHFFFAOYSA-N 1 0 382.420 4.011 20 5 GIBDRO COc1ccc(C[N@H+](C)CCc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000575455126 823972470 /nfs/dbraw/zinc/97/24/70/823972470.db2.gz LFBHFRWUTPADBL-UHFFFAOYSA-N 1 0 379.254 4.040 20 5 GIBDRO CC(C)[C@@H]1[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC12CCOCC2 ZINC000414538569 824005420 /nfs/dbraw/zinc/00/54/20/824005420.db2.gz MHEZQOIATZLNAF-SFHVURJKSA-N 1 0 387.505 4.355 20 5 GIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000192483832 824008153 /nfs/dbraw/zinc/00/81/53/824008153.db2.gz GIQOJSRJHDGDOZ-QGZVFWFLSA-N 1 0 381.476 4.208 20 5 GIBDRO COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000171050509 824047797 /nfs/dbraw/zinc/04/77/97/824047797.db2.gz MQOWHEWAEXFODE-SFHVURJKSA-N 1 0 384.457 4.155 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000576010713 824049299 /nfs/dbraw/zinc/04/92/99/824049299.db2.gz IJYMRFVWUTVIBS-UHFFFAOYSA-N 1 0 393.487 4.032 20 5 GIBDRO Cc1ccc(-c2noc(CCC[N@@H+](C)Cc3ccccc3[N+](=O)[O-])n2)cc1F ZINC000192642106 824054237 /nfs/dbraw/zinc/05/42/37/824054237.db2.gz BSSUHJQBHXJZPC-UHFFFAOYSA-N 1 0 384.411 4.157 20 5 GIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628848 719087862 /nfs/dbraw/zinc/08/78/62/719087862.db2.gz OZRJUPGEBXPOGF-UGKGYDQZSA-N 1 0 388.471 4.244 20 5 GIBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175831140 823050250 /nfs/dbraw/zinc/05/02/50/823050250.db2.gz GVTKXOPIWSORBT-FUHWJXTLSA-N 1 0 376.478 4.013 20 5 GIBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000175861431 823057477 /nfs/dbraw/zinc/05/74/77/823057477.db2.gz JNIYDNCJKHFWQF-UHFFFAOYSA-N 1 0 390.406 4.031 20 5 GIBDRO CC[N@H+](Cc1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1)C(C)C ZINC000120997873 823100047 /nfs/dbraw/zinc/10/00/47/823100047.db2.gz LLAOUTFJOYEGCF-UHFFFAOYSA-N 1 0 381.476 4.418 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000056196187 823100699 /nfs/dbraw/zinc/10/06/99/823100699.db2.gz LDTJVAFADGOVOL-NEPJUHHUSA-N 1 0 392.253 4.035 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000056197296 823101095 /nfs/dbraw/zinc/10/10/95/823101095.db2.gz MGWVANTWDFABEV-RYUDHWBXSA-N 1 0 381.354 4.291 20 5 GIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Oc3ccccc3)nc2)n1 ZINC000570921697 823108028 /nfs/dbraw/zinc/10/80/28/823108028.db2.gz BTBMEPLHGABKST-RTBURBONSA-N 1 0 393.447 4.252 20 5 GIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000570990364 823116551 /nfs/dbraw/zinc/11/65/51/823116551.db2.gz AUWZNTMWMCSXHR-KRWDZBQOSA-N 1 0 376.254 4.036 20 5 GIBDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000121236056 823144576 /nfs/dbraw/zinc/14/45/76/823144576.db2.gz RKEJLGFDPXKXAH-UHFFFAOYSA-N 1 0 397.479 4.017 20 5 GIBDRO C[C@]1(c2ccccc2)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000121339593 823165937 /nfs/dbraw/zinc/16/59/37/823165937.db2.gz FOUOEZMJWALIAW-JOCHJYFZSA-N 1 0 393.443 4.040 20 5 GIBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000176407589 823201626 /nfs/dbraw/zinc/20/16/26/823201626.db2.gz WPTBWEJMZPGHAY-MRXNPFEDSA-N 1 0 388.512 4.061 20 5 GIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c([N+](=O)[O-])cc1F ZINC000459529722 823212801 /nfs/dbraw/zinc/21/28/01/823212801.db2.gz CRXRQFCSBVHARP-FQEVSTJZSA-N 1 0 388.439 4.126 20 5 GIBDRO C[NH+](C)Cc1cc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)ccc1F ZINC000571648324 823214298 /nfs/dbraw/zinc/21/42/98/823214298.db2.gz MRYQJTWQEIRBMS-KRWDZBQOSA-N 1 0 385.361 4.189 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccco1 ZINC000571900592 823251430 /nfs/dbraw/zinc/25/14/30/823251430.db2.gz KHIPRGOZRPKMFU-OAHLLOKOSA-N 1 0 399.369 4.020 20 5 GIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000121824464 823258473 /nfs/dbraw/zinc/25/84/73/823258473.db2.gz AZGZARKHDNEHSZ-RHSMWYFYSA-N 1 0 385.420 4.197 20 5 GIBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000572107066 823284170 /nfs/dbraw/zinc/28/41/70/823284170.db2.gz HLGGVBVRTZEENB-UHFFFAOYSA-N 1 0 391.515 4.019 20 5 GIBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000122013857 823293348 /nfs/dbraw/zinc/29/33/48/823293348.db2.gz ZWQMXVJFQLDUEI-AWEZNQCLSA-N 1 0 390.509 4.252 20 5 GIBDRO C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000011046313 818047297 /nfs/dbraw/zinc/04/72/97/818047297.db2.gz ANZVXQNJTSISQK-KRWDZBQOSA-N 1 0 389.455 4.344 20 5 GIBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000176924935 823325403 /nfs/dbraw/zinc/32/54/03/823325403.db2.gz CKCYSOMWWREGDZ-UHFFFAOYSA-N 1 0 391.431 4.047 20 5 GIBDRO Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cccc1[N+](=O)[O-] ZINC000122341009 823341053 /nfs/dbraw/zinc/34/10/53/823341053.db2.gz SCBZGMYRMNLABJ-QGZVFWFLSA-N 1 0 382.508 4.289 20 5 GIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000019625642 818596628 /nfs/dbraw/zinc/59/66/28/818596628.db2.gz KWJWUNIQOPYQPX-PXAZEXFGSA-N 1 0 391.855 4.325 20 5 GIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000572517713 823352417 /nfs/dbraw/zinc/35/24/17/823352417.db2.gz HCKTWGZGKQLKEA-IRXDYDNUSA-N 1 0 395.503 4.311 20 5 GIBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000023739009 818977306 /nfs/dbraw/zinc/97/73/06/818977306.db2.gz IGPYXJRVZGZDIA-GOSISDBHSA-N 1 0 395.484 4.376 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572805111 823402302 /nfs/dbraw/zinc/40/23/02/823402302.db2.gz HMEXRYXNPPUFHZ-IBGZPJMESA-N 1 0 396.491 4.327 20 5 GIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000058520655 823403210 /nfs/dbraw/zinc/40/32/10/823403210.db2.gz NATVBIJPDSONGH-MRXNPFEDSA-N 1 0 382.464 4.148 20 5 GIBDRO CCS[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189505238 823433101 /nfs/dbraw/zinc/43/31/01/823433101.db2.gz WKLBYUWXXYJRPQ-RCBQFDQVSA-N 1 0 376.482 4.360 20 5 GIBDRO CN(C(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000024734777 819870300 /nfs/dbraw/zinc/87/03/00/819870300.db2.gz CVPPRHHXXWGUHH-QFIPXVFZSA-N 1 0 389.455 4.131 20 5 GIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000177339518 823439921 /nfs/dbraw/zinc/43/99/21/823439921.db2.gz KWNJIZMNONBXAA-UHFFFAOYSA-N 1 0 396.491 4.207 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000026250418 820074976 /nfs/dbraw/zinc/07/49/76/820074976.db2.gz IJGSBXIQUMAZRS-UHFFFAOYSA-N 1 0 393.443 4.217 20 5 GIBDRO CSc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000573161054 823457523 /nfs/dbraw/zinc/45/75/23/823457523.db2.gz GMFTXXMMAJNRGQ-KRWDZBQOSA-N 1 0 393.896 4.003 20 5 GIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc(Br)cs3)c2c1 ZINC000573161734 823457602 /nfs/dbraw/zinc/45/76/02/823457602.db2.gz GENNEIDDVRNEAI-UHFFFAOYSA-N 1 0 380.267 4.232 20 5 GIBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000027208351 820209630 /nfs/dbraw/zinc/20/96/30/820209630.db2.gz WPSMLCBADVXXFV-SFHVURJKSA-N 1 0 389.455 4.196 20 5 GIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029178345 820406905 /nfs/dbraw/zinc/40/69/05/820406905.db2.gz OTKMGHCECQBOHG-UZLBHIALSA-N 1 0 399.516 4.029 20 5 GIBDRO CC[NH+](CC)Cc1cccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000177554036 823489844 /nfs/dbraw/zinc/48/98/44/823489844.db2.gz IWWCXALRHRFYCB-UHFFFAOYSA-N 1 0 393.491 4.449 20 5 GIBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)[NH+](C)C)c1 ZINC000059368228 823494049 /nfs/dbraw/zinc/49/40/49/823494049.db2.gz OMTFIMKSWWWKES-QGZVFWFLSA-N 1 0 383.370 4.337 20 5 GIBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031145180 820752095 /nfs/dbraw/zinc/75/20/95/820752095.db2.gz WVLBAWVEHVTUAF-GOSISDBHSA-N 1 0 395.484 4.376 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000036692855 821076218 /nfs/dbraw/zinc/07/62/18/821076218.db2.gz FTKSASVHHNJXCD-SFHVURJKSA-N 1 0 375.856 4.061 20 5 GIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000043086546 821359550 /nfs/dbraw/zinc/35/95/50/821359550.db2.gz XJKCYKUMJNQAJT-UHFFFAOYSA-N 1 0 387.505 4.087 20 5 GIBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342956 821395335 /nfs/dbraw/zinc/39/53/35/821395335.db2.gz CUXUDVLIXYKRKH-HNNXBMFYSA-N 1 0 394.884 4.268 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000180690155 821396624 /nfs/dbraw/zinc/39/66/24/821396624.db2.gz TUJWROUYOPEUNN-SJCJKPOMSA-N 1 0 398.381 4.397 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000180754401 821436144 /nfs/dbraw/zinc/43/61/44/821436144.db2.gz GIWYZTNKRJCNLM-UHFFFAOYSA-N 1 0 393.553 4.291 20 5 GIBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870778 821504680 /nfs/dbraw/zinc/50/46/80/821504680.db2.gz IXDJVBWLPBIFBY-ZFWWWQNUSA-N 1 0 376.840 4.243 20 5 GIBDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181234556 821710793 /nfs/dbraw/zinc/71/07/93/821710793.db2.gz RJZQHHXFQBAWRK-LSDHHAIUSA-N 1 0 391.493 4.077 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)cc1[N+](=O)[O-] ZINC000181234967 821710915 /nfs/dbraw/zinc/71/09/15/821710915.db2.gz HSUKQMSDBKHPNM-JUTLFCHVSA-N 1 0 379.460 4.387 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181284558 821735158 /nfs/dbraw/zinc/73/51/58/821735158.db2.gz SGLTUXBFHUAKKI-JKSUJKDBSA-N 1 0 390.443 4.335 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181317352 821755456 /nfs/dbraw/zinc/75/54/56/821755456.db2.gz ZTZFSPIUJSHFCA-JKSUJKDBSA-N 1 0 390.443 4.335 20 5 GIBDRO CC[C@H]([NH2+]CC(=O)Nc1cc(C)c(Cl)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181558994 821880518 /nfs/dbraw/zinc/88/05/18/821880518.db2.gz DTPFVFCBEMASPH-INIZCTEOSA-N 1 0 391.855 4.245 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000181588498 821892222 /nfs/dbraw/zinc/89/22/22/821892222.db2.gz PJNXUNAJCVYNBX-SJORKVTESA-N 1 0 398.507 4.265 20 5 GIBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181689873 821945494 /nfs/dbraw/zinc/94/54/94/821945494.db2.gz XNOBTZKBZHTESF-MRXNPFEDSA-N 1 0 393.553 4.193 20 5 GIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000181741092 821971382 /nfs/dbraw/zinc/97/13/82/821971382.db2.gz GUYVPPGYCRZTJK-LLVKDONJSA-N 1 0 395.818 4.075 20 5 GIBDRO CN(CCC[NH+](C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000181940977 822041161 /nfs/dbraw/zinc/04/11/61/822041161.db2.gz JIVMHDGWFPXWAV-UHFFFAOYSA-N 1 0 391.855 4.064 20 5 GIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1F ZINC000182002094 822058933 /nfs/dbraw/zinc/05/89/33/822058933.db2.gz FETPFQADQVGXMS-CYBMUJFWSA-N 1 0 385.395 4.291 20 5 GIBDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000182137206 822112135 /nfs/dbraw/zinc/11/21/35/822112135.db2.gz KVYRGBVHSNVIHM-ZDUSSCGKSA-N 1 0 389.477 4.005 20 5 GIBDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182551374 822297740 /nfs/dbraw/zinc/29/77/40/822297740.db2.gz NFMLMGZPZHEFSJ-KRWDZBQOSA-N 1 0 375.513 4.325 20 5 GIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000182630470 822330976 /nfs/dbraw/zinc/33/09/76/822330976.db2.gz OEFVBWAZHHBOTI-CYBMUJFWSA-N 1 0 383.404 4.029 20 5 GIBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206842 822352346 /nfs/dbraw/zinc/35/23/46/822352346.db2.gz HPZDYMZEBHFORB-ZDUSSCGKSA-N 1 0 396.472 4.316 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183151773 822432203 /nfs/dbraw/zinc/43/22/03/822432203.db2.gz SFOGJOILMRMARF-INIZCTEOSA-N 1 0 380.448 4.419 20 5 GIBDRO CN1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000179045203 822433160 /nfs/dbraw/zinc/43/31/60/822433160.db2.gz MDWUSYXTDJUMPN-PMACEKPBSA-N 1 0 394.500 4.253 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000183266976 822450803 /nfs/dbraw/zinc/45/08/03/822450803.db2.gz GFEWMLWYOWHTRZ-UHFFFAOYSA-N 1 0 379.526 4.134 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)o2)c(Cl)c1 ZINC000179365872 822471967 /nfs/dbraw/zinc/47/19/67/822471967.db2.gz LBXJZTNPYBYICP-CYBMUJFWSA-N 1 0 392.839 4.093 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000179409041 822478604 /nfs/dbraw/zinc/47/86/04/822478604.db2.gz CKPKZZKEBKNETM-GJZGRUSLSA-N 1 0 399.447 4.362 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000179477930 822488118 /nfs/dbraw/zinc/48/81/18/822488118.db2.gz GIKBOOWROUPDBR-LSDHHAIUSA-N 1 0 396.447 4.498 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179589267 822507929 /nfs/dbraw/zinc/50/79/29/822507929.db2.gz FQBXLPXZZCQCKD-QWHCGFSZSA-N 1 0 393.390 4.182 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000179599590 822510264 /nfs/dbraw/zinc/51/02/64/822510264.db2.gz PAVBSYRIOXCZCI-DZGCQCFKSA-N 1 0 376.482 4.064 20 5 GIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1 ZINC000179600431 822510407 /nfs/dbraw/zinc/51/04/07/822510407.db2.gz ZPDUUFQKKAYKQX-JTQLQIEISA-N 1 0 399.781 4.139 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000046794796 822517828 /nfs/dbraw/zinc/51/78/28/822517828.db2.gz OYZNCNFGCLSGSF-QGZVFWFLSA-N 1 0 381.476 4.208 20 5 GIBDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1[N+](=O)[O-] ZINC000179767570 822548176 /nfs/dbraw/zinc/54/81/76/822548176.db2.gz FRIFGSAPAMPLTM-UHFFFAOYSA-N 1 0 397.475 4.275 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184364604 822622670 /nfs/dbraw/zinc/62/26/70/822622670.db2.gz FMGXRVTYRPNRDR-GFCCVEGCSA-N 1 0 385.445 4.107 20 5 GIBDRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000184665601 822672993 /nfs/dbraw/zinc/67/29/93/822672993.db2.gz KRMWXJCLFIPZKY-UHFFFAOYSA-N 1 0 385.851 4.171 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180423038 822679070 /nfs/dbraw/zinc/67/90/70/822679070.db2.gz ZCASJQQWVULZFN-ZIAGYGMSSA-N 1 0 375.856 4.118 20 5 GIBDRO C[C@@H](OC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000180452124 822684841 /nfs/dbraw/zinc/68/48/41/822684841.db2.gz RTUWKDKRCKNCRU-IQUTYRLHSA-N 1 0 378.856 4.038 20 5 GIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180456497 822685791 /nfs/dbraw/zinc/68/57/91/822685791.db2.gz YPACZCXNXKKYMT-NSHDSACASA-N 1 0 381.404 4.199 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)cc1[N+](=O)[O-] ZINC000180527424 822696496 /nfs/dbraw/zinc/69/64/96/822696496.db2.gz HQAXFYOVSXOBEA-ZDUSSCGKSA-N 1 0 380.391 4.488 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000185006567 822724503 /nfs/dbraw/zinc/72/45/03/822724503.db2.gz JDUTVBULZILWHJ-ACJLOTCBSA-N 1 0 393.484 4.098 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])ccc21 ZINC000455838606 822734801 /nfs/dbraw/zinc/73/48/01/822734801.db2.gz BVULXCRNFRTFJR-SFHVURJKSA-N 1 0 382.464 4.201 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])ccc21 ZINC000455838603 822734839 /nfs/dbraw/zinc/73/48/39/822734839.db2.gz BVULXCRNFRTFJR-GOSISDBHSA-N 1 0 382.464 4.201 20 5 GIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133674 822747818 /nfs/dbraw/zinc/74/78/18/822747818.db2.gz MPUKAXDGKYUTMY-PLMTUMEDSA-N 1 0 397.475 4.022 20 5 GIBDRO Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000455932582 822752198 /nfs/dbraw/zinc/75/21/98/822752198.db2.gz QBRCRDUPIVAMBM-IFXJQAMLSA-N 1 0 382.464 4.335 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])ccc21 ZINC000456258075 822790883 /nfs/dbraw/zinc/79/08/83/822790883.db2.gz FLXCNGVZPJHSAW-INIZCTEOSA-N 1 0 393.365 4.415 20 5 GIBDRO Cc1cccc2c(CC[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000174447401 822790918 /nfs/dbraw/zinc/79/09/18/822790918.db2.gz ZMEXYMCMIULNMQ-UHFFFAOYSA-N 1 0 389.459 4.117 20 5 GIBDRO COc1ccc([C@H](C)CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000174507400 822798448 /nfs/dbraw/zinc/79/84/48/822798448.db2.gz WQVNDTGIZQYCED-MRXNPFEDSA-N 1 0 394.475 4.287 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185582698 822799007 /nfs/dbraw/zinc/79/90/07/822799007.db2.gz ODUFQPXXLWWOLV-MRXNPFEDSA-N 1 0 393.503 4.198 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724564 822814557 /nfs/dbraw/zinc/81/45/57/822814557.db2.gz QFOKUKOEQSSNPU-DLBZAZTESA-N 1 0 375.513 4.125 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724600 822814775 /nfs/dbraw/zinc/81/47/75/822814775.db2.gz QFOKUKOEQSSNPU-IRXDYDNUSA-N 1 0 375.513 4.125 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000053235935 822827472 /nfs/dbraw/zinc/82/74/72/822827472.db2.gz RVTASVWSWAWLIT-ZDUSSCGKSA-N 1 0 391.855 4.278 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccccc1 ZINC000185985218 822841231 /nfs/dbraw/zinc/84/12/31/822841231.db2.gz QIRQPLHQRLSAFK-QGZVFWFLSA-N 1 0 387.505 4.130 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644340 822843757 /nfs/dbraw/zinc/84/37/57/822843757.db2.gz GSKMDOIHPWDLKX-LJQANCHMSA-N 1 0 389.427 4.058 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)s1 ZINC000186481265 822902059 /nfs/dbraw/zinc/90/20/59/822902059.db2.gz MLVGIOHYAYDANH-UHFFFAOYSA-N 1 0 390.530 4.421 20 5 GIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000054667109 822902888 /nfs/dbraw/zinc/90/28/88/822902888.db2.gz FCHIXADBMHEGEY-SFHVURJKSA-N 1 0 375.856 4.482 20 5 GIBDRO CSc1cccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000186503351 822905911 /nfs/dbraw/zinc/90/59/11/822905911.db2.gz GLXDVHIJOGHKQH-UHFFFAOYSA-N 1 0 399.516 4.053 20 5 GIBDRO CSc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000186563349 822913910 /nfs/dbraw/zinc/91/39/10/822913910.db2.gz LNLNUVRDLCETDH-INIZCTEOSA-N 1 0 399.516 4.053 20 5 GIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186633531 822926763 /nfs/dbraw/zinc/92/67/63/822926763.db2.gz JQFZUZOPQMUZAW-VFNWGFHPSA-N 1 0 382.439 4.168 20 5 GIBDRO C[NH+](C)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000569611719 822944507 /nfs/dbraw/zinc/94/45/07/822944507.db2.gz JTNANPMHPAAEES-FQEVSTJZSA-N 1 0 383.423 4.386 20 5 GIBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000187042217 823002825 /nfs/dbraw/zinc/00/28/25/823002825.db2.gz PKWIVFAFTLDBPE-IAOVAPTHSA-N 1 0 388.468 4.279 20 5 GIBDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1c[nH]c3ccc([N+](=O)[O-])cc13)CCCO2 ZINC000570360860 823028949 /nfs/dbraw/zinc/02/89/49/823028949.db2.gz BCBNPEKEKAZSRR-IBGZPJMESA-N 1 0 381.432 4.131 20 5 GIBDRO Cc1ccc(-c2noc([C@@H](C)N[C@@H]3CCc4c3cccc4[N+](=O)[O-])n2)cc1F ZINC000570463002 823041246 /nfs/dbraw/zinc/04/12/46/823041246.db2.gz OCOWQDZMAMSMRH-SJKOYZFVSA-N 1 0 382.395 4.430 20 5 GIBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123851839 823545610 /nfs/dbraw/zinc/54/56/10/823545610.db2.gz QBVNVNBHCACNCJ-MRXNPFEDSA-N 1 0 399.491 4.229 20 5 GIBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000123863321 823547329 /nfs/dbraw/zinc/54/73/29/823547329.db2.gz XFLIHLOBLVVDTC-MRXNPFEDSA-N 1 0 399.491 4.229 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190190626 823548589 /nfs/dbraw/zinc/54/85/89/823548589.db2.gz KZBRHEALIRWHGF-HNNXBMFYSA-N 1 0 387.402 4.142 20 5 GIBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411179656 823554987 /nfs/dbraw/zinc/55/49/87/823554987.db2.gz ABXLHFIQMCGNCN-FCHUYYIVSA-N 1 0 393.487 4.001 20 5 GIBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411290013 823562576 /nfs/dbraw/zinc/56/25/76/823562576.db2.gz HZDHNRIAIVPNOC-QGZVFWFLSA-N 1 0 387.436 4.142 20 5 GIBDRO O=[N+]([O-])c1c(NCc2cccc(C[NH+]3CCCCCC3)c2)nc2sccn21 ZINC000060862880 823563260 /nfs/dbraw/zinc/56/32/60/823563260.db2.gz GPEXOSYNNRGWHS-UHFFFAOYSA-N 1 0 385.493 4.292 20 5 GIBDRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411318268 823564200 /nfs/dbraw/zinc/56/42/00/823564200.db2.gz CAWGMMQWBXLWIZ-ZDUSSCGKSA-N 1 0 384.461 4.226 20 5 GIBDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000060972116 823570323 /nfs/dbraw/zinc/57/03/23/823570323.db2.gz LKMYPKBPWRCGFZ-UHFFFAOYSA-N 1 0 382.464 4.293 20 5 GIBDRO COc1ccc(C[NH2+]Cc2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002721 823572051 /nfs/dbraw/zinc/57/20/51/823572051.db2.gz LFWUUQKFGKKFFT-UHFFFAOYSA-N 1 0 378.428 4.472 20 5 GIBDRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411448024 823575532 /nfs/dbraw/zinc/57/55/32/823575532.db2.gz DNTKPKYPWUEBLD-INIZCTEOSA-N 1 0 399.344 4.346 20 5 GIBDRO CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000124765839 823624400 /nfs/dbraw/zinc/62/44/00/823624400.db2.gz VEPPMVALZNMAPZ-WBVHZDCISA-N 1 0 393.553 4.288 20 5 GIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412130388 823628686 /nfs/dbraw/zinc/62/86/86/823628686.db2.gz KNUZNMBROLNSFY-WQTXXOFMSA-N 1 0 393.487 4.040 20 5 GIBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC2(CCCC2)O1 ZINC000190961406 823631013 /nfs/dbraw/zinc/63/10/13/823631013.db2.gz FUUUJICDDQAKAG-UHFFFAOYSA-N 1 0 385.464 4.216 20 5 GIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412202293 823635351 /nfs/dbraw/zinc/63/53/51/823635351.db2.gz ZTDUJMVJIRQAKC-BULFRSBZSA-N 1 0 399.535 4.201 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000191387862 823679276 /nfs/dbraw/zinc/67/92/76/823679276.db2.gz NUNWQCLMEZGOLR-UHFFFAOYSA-N 1 0 388.512 4.332 20 5 GIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000125626779 823691090 /nfs/dbraw/zinc/69/10/90/823691090.db2.gz TULIMPBSSPPRSW-YVEFUNNKSA-N 1 0 384.354 4.186 20 5 GIBDRO O=[N+]([O-])c1c(NCc2ccc(C[NH+]3CCCCCC3)cc2)nc2sccn21 ZINC000063737750 823692863 /nfs/dbraw/zinc/69/28/63/823692863.db2.gz UMGCXKBIMPJHHE-UHFFFAOYSA-N 1 0 385.493 4.292 20 5 GIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027811 823736947 /nfs/dbraw/zinc/73/69/47/823736947.db2.gz SVMXBDYIQSZYLA-UHFFFAOYSA-N 1 0 381.476 4.241 20 5 GIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1CCc1ccccc1 ZINC000164315785 823795511 /nfs/dbraw/zinc/79/55/11/823795511.db2.gz PLCTYWQSOMPZLV-SFHVURJKSA-N 1 0 378.476 4.145 20 5 GIBDRO CC(C)[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350089 823798448 /nfs/dbraw/zinc/79/84/48/823798448.db2.gz CZMQFRYYBHNWNW-UHFFFAOYSA-N 1 0 381.476 4.241 20 5 GIBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1cccc(OC)c1 ZINC000164836657 823821997 /nfs/dbraw/zinc/82/19/97/823821997.db2.gz ZHWIBCVGNMMVEL-INIZCTEOSA-N 1 0 385.464 4.324 20 5 GIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000165186853 823839082 /nfs/dbraw/zinc/83/90/82/823839082.db2.gz WVGVIKKNXCCQRJ-CYBMUJFWSA-N 1 0 377.391 4.203 20 5 GIBDRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc([N+](=O)[O-])c1 ZINC000126450870 823870767 /nfs/dbraw/zinc/87/07/67/823870767.db2.gz GHGWIRQPLBNHOM-UHFFFAOYSA-N 1 0 385.489 4.013 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cs2)c1 ZINC000168894695 823906522 /nfs/dbraw/zinc/90/65/22/823906522.db2.gz VFIMDHSPTVYMMP-KURKYZTESA-N 1 0 385.489 4.156 20 5 GIBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000126629748 823915038 /nfs/dbraw/zinc/91/50/38/823915038.db2.gz VULUUCSCGIRFOX-UHFFFAOYSA-N 1 0 390.443 4.034 20 5 GIBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000462367052 823943536 /nfs/dbraw/zinc/94/35/36/823943536.db2.gz BOPBJOYRBMPKAA-ZDUSSCGKSA-N 1 0 377.391 4.055 20 5 GIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000575505045 823975146 /nfs/dbraw/zinc/97/51/46/823975146.db2.gz QSKWUQDSEPSQKO-CYBMUJFWSA-N 1 0 392.459 4.199 20 5 GIBDRO COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000171050455 824047835 /nfs/dbraw/zinc/04/78/35/824047835.db2.gz ZVBSRMZCKSOZQR-SFHVURJKSA-N 1 0 384.457 4.155 20 5 GIBDRO C[C@H]1C[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414944228 824052700 /nfs/dbraw/zinc/05/27/00/824052700.db2.gz GJDDOMIHDANGBX-DZGCQCFKSA-N 1 0 375.856 4.271 20 5 GIBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164630874 719092723 /nfs/dbraw/zinc/09/27/23/719092723.db2.gz WZXZXQPQNCSPRQ-KNQAVFIVSA-N 1 0 388.471 4.244 20 5 GIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc([N+](=O)[O-])cc4C)CC3)CC2)cc1 ZINC001164765374 721041916 /nfs/dbraw/zinc/04/19/16/721041916.db2.gz OXFUXXLFZHHZAH-UHFFFAOYSA-N 1 0 394.519 4.489 20 5 GIBDRO Cn1nc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 ZINC000187385684 823053767 /nfs/dbraw/zinc/05/37/67/823053767.db2.gz HTOLQCJEOKGLML-UHFFFAOYSA-N 1 0 376.416 4.074 20 5 GIBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCCCC[NH+]1CCCC1 ZINC000570577840 823056851 /nfs/dbraw/zinc/05/68/51/823056851.db2.gz STYZKNNHQXCXOJ-UHFFFAOYSA-N 1 0 396.360 4.322 20 5 GIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000175965206 823083434 /nfs/dbraw/zinc/08/34/34/823083434.db2.gz AIEDLPWLGCTQAX-CQSZACIVSA-N 1 0 388.493 4.458 20 5 GIBDRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000120995208 823099451 /nfs/dbraw/zinc/09/94/51/823099451.db2.gz RZTRRIGQBPRJGE-CABCVRRESA-N 1 0 376.478 4.170 20 5 GIBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000571006723 823119209 /nfs/dbraw/zinc/11/92/09/823119209.db2.gz KUGUAHYYPPPEKM-GOSISDBHSA-N 1 0 397.431 4.251 20 5 GIBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000571153733 823141549 /nfs/dbraw/zinc/14/15/49/823141549.db2.gz RTPFVPCPECQTKM-SFQUDFHCSA-N 1 0 396.491 4.391 20 5 GIBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176263544 823166650 /nfs/dbraw/zinc/16/66/50/823166650.db2.gz AEWWTKWIFDBTIM-UHFFFAOYSA-N 1 0 380.876 4.167 20 5 GIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188020045 823173148 /nfs/dbraw/zinc/17/31/48/823173148.db2.gz HIUVRFRZPLRSHT-UHFFFAOYSA-N 1 0 387.505 4.089 20 5 GIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459402230 823184795 /nfs/dbraw/zinc/18/47/95/823184795.db2.gz FOHLZNQBDNHOJG-UHFFFAOYSA-N 1 0 391.475 4.301 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571573020 823202485 /nfs/dbraw/zinc/20/24/85/823202485.db2.gz KIRNKAYVKGRAAQ-APWZRJJASA-N 1 0 396.491 4.332 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000571694777 823220082 /nfs/dbraw/zinc/22/00/82/823220082.db2.gz NGNZWIZHSDWUNI-FQEVSTJZSA-N 1 0 382.464 4.116 20 5 GIBDRO COc1ccc(C[NH2+][C@H](C)c2ccccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409489496 823233134 /nfs/dbraw/zinc/23/31/34/823233134.db2.gz ZAVURJFZMGNQOQ-MRXNPFEDSA-N 1 0 393.443 4.428 20 5 GIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459646808 823237656 /nfs/dbraw/zinc/23/76/56/823237656.db2.gz SRAYVABCGITPNM-HUUCEWRRSA-N 1 0 381.436 4.102 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188509709 823253530 /nfs/dbraw/zinc/25/35/30/823253530.db2.gz MJCQMSIOZVUERS-WMZOPIPTSA-N 1 0 399.457 4.170 20 5 GIBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176723349 823277360 /nfs/dbraw/zinc/27/73/60/823277360.db2.gz QHDQUAHPFXGEGE-ZBFHGGJFSA-N 1 0 387.867 4.031 20 5 GIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176746915 823283399 /nfs/dbraw/zinc/28/33/99/823283399.db2.gz OQQKTHCDFFMHQD-QGZVFWFLSA-N 1 0 398.507 4.258 20 5 GIBDRO CCCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000188794966 823307412 /nfs/dbraw/zinc/30/74/12/823307412.db2.gz VSVZJDIXJIKBIU-UHFFFAOYSA-N 1 0 394.475 4.382 20 5 GIBDRO C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011046032 818047191 /nfs/dbraw/zinc/04/71/91/818047191.db2.gz NYHUTNCILQURLN-QGZVFWFLSA-N 1 0 389.455 4.344 20 5 GIBDRO COCc1ccccc1/C=C(/C)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572386781 823331049 /nfs/dbraw/zinc/33/10/49/823331049.db2.gz BWLBYLDPTJOBPE-WJDWOHSUSA-N 1 0 379.460 4.458 20 5 GIBDRO CC1CC[NH+]([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000018180177 818554709 /nfs/dbraw/zinc/55/47/09/818554709.db2.gz QFVZTVCXPXRAEO-QGZVFWFLSA-N 1 0 388.493 4.251 20 5 GIBDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000572558253 823360468 /nfs/dbraw/zinc/36/04/68/823360468.db2.gz ZLGURFDWJVDPLY-QFBILLFUSA-N 1 0 378.476 4.044 20 5 GIBDRO CCOc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1OC(F)F ZINC000572616984 823369757 /nfs/dbraw/zinc/36/97/57/823369757.db2.gz MTJQFLPRBBIVOM-OAHLLOKOSA-N 1 0 378.375 4.372 20 5 GIBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)[NH+]2CCCC2)cc1 ZINC000023381135 818930335 /nfs/dbraw/zinc/93/03/35/818930335.db2.gz BRYUTYACLHBFLH-QFIPXVFZSA-N 1 0 392.459 4.401 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023994725 819004321 /nfs/dbraw/zinc/00/43/21/819004321.db2.gz OWNHXSKWTCFYHO-NWDGAFQWSA-N 1 0 392.253 4.035 20 5 GIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177343515 823440527 /nfs/dbraw/zinc/44/05/27/823440527.db2.gz OMOSWAXOPHXJNP-UHFFFAOYSA-N 1 0 396.472 4.341 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c2c(c1)COCO2 ZINC000026113870 820059560 /nfs/dbraw/zinc/05/95/60/820059560.db2.gz NSRFITJOHOXQIW-UHFFFAOYSA-N 1 0 398.459 4.012 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)o2)c1 ZINC000189629117 823462464 /nfs/dbraw/zinc/46/24/64/823462464.db2.gz WZGGLJQOHZGWPY-RDTXWAMCSA-N 1 0 398.381 4.428 20 5 GIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000410331910 823465804 /nfs/dbraw/zinc/46/58/04/823465804.db2.gz BQXWVFAALAUTIZ-UHFFFAOYSA-N 1 0 382.464 4.148 20 5 GIBDRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000027739499 820281225 /nfs/dbraw/zinc/28/12/25/820281225.db2.gz MGZZSBUIGCIVJQ-UHFFFAOYSA-N 1 0 391.855 4.026 20 5 GIBDRO O=c1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c2c(ccc3ccccc32)o1 ZINC000177456554 823466968 /nfs/dbraw/zinc/46/69/68/823466968.db2.gz SDWIJYUPTLLIBB-HXUWFJFHSA-N 1 0 393.483 4.106 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2CO)ccc1Oc1ccc(F)cc1 ZINC000123503587 823515360 /nfs/dbraw/zinc/51/53/60/823515360.db2.gz CUECNXGXSHBDGK-UHFFFAOYSA-N 1 0 382.391 4.308 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000043347047 821395796 /nfs/dbraw/zinc/39/57/96/821395796.db2.gz IPVFLANDJXDGHR-QGZVFWFLSA-N 1 0 376.482 4.169 20 5 GIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043347817 821396176 /nfs/dbraw/zinc/39/61/76/821396176.db2.gz YWPZOEFWUXYQKX-UHFFFAOYSA-N 1 0 390.509 4.341 20 5 GIBDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000180812444 821473786 /nfs/dbraw/zinc/47/37/86/821473786.db2.gz SIUHWUYMXPAITK-QRQLOZEOSA-N 1 0 388.489 4.092 20 5 GIBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180862304 821500365 /nfs/dbraw/zinc/50/03/65/821500365.db2.gz WYERUOCTMALSDG-OLZOCXBDSA-N 1 0 380.876 4.023 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180877810 821508734 /nfs/dbraw/zinc/50/87/34/821508734.db2.gz VFMPLEZSOQHZPI-UHFFFAOYSA-N 1 0 377.391 4.035 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000181324828 821759577 /nfs/dbraw/zinc/75/95/77/821759577.db2.gz LYYWXNFRWIXFJJ-INIZCTEOSA-N 1 0 390.443 4.336 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000181531244 821869285 /nfs/dbraw/zinc/86/92/85/821869285.db2.gz KYYIZRGEIUVTPT-UHFFFAOYSA-N 1 0 397.479 4.069 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000181608602 821901064 /nfs/dbraw/zinc/90/10/64/821901064.db2.gz XWBAHEGIOBENGC-QGZVFWFLSA-N 1 0 384.476 4.450 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664080 821931341 /nfs/dbraw/zinc/93/13/41/821931341.db2.gz OUKMDQQGPOKWQB-LSDHHAIUSA-N 1 0 391.537 4.090 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000181833347 822011364 /nfs/dbraw/zinc/01/13/64/822011364.db2.gz BLUWKMBQSNHINQ-NSHDSACASA-N 1 0 382.247 4.499 20 5 GIBDRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835518 822012201 /nfs/dbraw/zinc/01/22/01/822012201.db2.gz JSIFFFPCBLRHQZ-WMLDXEAASA-N 1 0 387.505 4.151 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000181839837 822013770 /nfs/dbraw/zinc/01/37/70/822013770.db2.gz LDQYVXWLMWBSBG-UONOGXRCSA-N 1 0 375.856 4.085 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000181938666 822040602 /nfs/dbraw/zinc/04/06/02/822040602.db2.gz MLRYXGQYIZHIHF-AZUAARDMSA-N 1 0 399.516 4.271 20 5 GIBDRO C[C@@H]([NH3+])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000178234847 822357225 /nfs/dbraw/zinc/35/72/25/822357225.db2.gz OTSCWKYNJGFYMD-OAHLLOKOSA-N 1 0 382.464 4.103 20 5 GIBDRO Cc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182858649 822380244 /nfs/dbraw/zinc/38/02/44/822380244.db2.gz YSLAHVYKZSSXOV-KRWDZBQOSA-N 1 0 381.476 4.167 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000178679659 822402233 /nfs/dbraw/zinc/40/22/33/822402233.db2.gz OFELLZMRWYQKDT-STQMWFEESA-N 1 0 393.390 4.182 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCc2nccn2C)cc1 ZINC000178684858 822402779 /nfs/dbraw/zinc/40/27/79/822402779.db2.gz SPGBYKCCUSYAEV-HOTGVXAUSA-N 1 0 380.448 4.319 20 5 GIBDRO CC[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000183082572 822422471 /nfs/dbraw/zinc/42/24/71/822422471.db2.gz MAKFPPWRJLEHLT-QFIPXVFZSA-N 1 0 383.492 4.362 20 5 GIBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(-c2ccccc2)no1 ZINC000179477513 822488155 /nfs/dbraw/zinc/48/81/55/822488155.db2.gz ZBDDLQDGIQEOMF-BEFAXECRSA-N 1 0 392.459 4.359 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000179501427 822492303 /nfs/dbraw/zinc/49/23/03/822492303.db2.gz DSPKBDGIPVFKBI-PKOBYXMFSA-N 1 0 378.831 4.032 20 5 GIBDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454597505 822503543 /nfs/dbraw/zinc/50/35/43/822503543.db2.gz OFGYKTVBGZEBJG-FUHIMQAGSA-N 1 0 396.491 4.008 20 5 GIBDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454597504 822503547 /nfs/dbraw/zinc/50/35/47/822503547.db2.gz OFGYKTVBGZEBJG-ABSDTBQOSA-N 1 0 396.491 4.008 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000179563554 822504110 /nfs/dbraw/zinc/50/41/10/822504110.db2.gz YHWIUFWQLMBYFU-NSHDSACASA-N 1 0 395.818 4.075 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179589286 822507872 /nfs/dbraw/zinc/50/78/72/822507872.db2.gz FQBXLPXZZCQCKD-CHWSQXEVSA-N 1 0 393.390 4.182 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000184102225 822578293 /nfs/dbraw/zinc/57/82/93/822578293.db2.gz UKWGMSFQQNMJEG-UHFFFAOYSA-N 1 0 393.553 4.291 20 5 GIBDRO COc1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c([N+](=O)[O-])cc1F ZINC000184299526 822610800 /nfs/dbraw/zinc/61/08/00/822610800.db2.gz RUJYOBPPPCRDPQ-FQEVSTJZSA-N 1 0 390.411 4.001 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184383998 822625725 /nfs/dbraw/zinc/62/57/25/822625725.db2.gz AHIYWFRTIJDTRW-ZDUSSCGKSA-N 1 0 399.472 4.498 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000180217027 822641199 /nfs/dbraw/zinc/64/11/99/822641199.db2.gz XEYJHOKGPGMPTF-INIZCTEOSA-N 1 0 391.537 4.186 20 5 GIBDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184628658 822668181 /nfs/dbraw/zinc/66/81/81/822668181.db2.gz NGBYRTFRTJEIPR-XYJFISCASA-N 1 0 399.466 4.007 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133760 822747828 /nfs/dbraw/zinc/74/78/28/822747828.db2.gz RGWXVMKFCZEXSX-XMSQKQJNSA-N 1 0 397.475 4.023 20 5 GIBDRO COCCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000185229144 822752042 /nfs/dbraw/zinc/75/20/42/822752042.db2.gz ZFNZMGIUNSRQLV-UHFFFAOYSA-N 1 0 386.496 4.072 20 5 GIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000185433331 822783233 /nfs/dbraw/zinc/78/32/33/822783233.db2.gz OLZFUFKXMUOZIY-GOSISDBHSA-N 1 0 387.524 4.077 20 5 GIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000052447719 822800035 /nfs/dbraw/zinc/80/00/35/822800035.db2.gz VTHUJWKJJXWCRS-UHFFFAOYSA-N 1 0 380.370 4.085 20 5 GIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccncc21 ZINC000052467208 822800707 /nfs/dbraw/zinc/80/07/07/822800707.db2.gz AZHJOHUNGWBUNZ-UHFFFAOYSA-N 1 0 380.423 4.359 20 5 GIBDRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000053644344 822843655 /nfs/dbraw/zinc/84/36/55/822843655.db2.gz HENRZPDMSPAEKI-LJQANCHMSA-N 1 0 389.427 4.058 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186348924 822879932 /nfs/dbraw/zinc/87/99/32/822879932.db2.gz YMDHIAVXQVPMOJ-YJCRSOIMSA-N 1 0 395.503 4.121 20 5 GIBDRO Cn1nc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000186481673 822902399 /nfs/dbraw/zinc/90/23/99/822902399.db2.gz MVDDUDDJJYWSLA-VQIMIIECSA-N 1 0 378.476 4.025 20 5 GIBDRO CSc1cccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000186515507 822907141 /nfs/dbraw/zinc/90/71/41/822907141.db2.gz YLVITEUDHPMVST-HNNXBMFYSA-N 1 0 399.516 4.272 20 5 GIBDRO Cc1c(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000175303273 822929921 /nfs/dbraw/zinc/92/99/21/822929921.db2.gz IQYFSXKVRSEYCN-UHFFFAOYSA-N 1 0 382.464 4.032 20 5 GIBDRO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000186820605 822961115 /nfs/dbraw/zinc/96/11/15/822961115.db2.gz REOGVLGZTMUAMD-HNAYVOBHSA-N 1 0 387.480 4.399 20 5 GIBDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175415373 822963476 /nfs/dbraw/zinc/96/34/76/822963476.db2.gz YPAOXOOXOKVQBP-ABSDTBQOSA-N 1 0 396.491 4.008 20 5 GIBDRO Cc1ccc([C@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000175647483 823012471 /nfs/dbraw/zinc/01/24/71/823012471.db2.gz FCTSUTWDKQKVLH-KRWDZBQOSA-N 1 0 396.491 4.059 20 5 GIBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411183437 823555145 /nfs/dbraw/zinc/55/51/45/823555145.db2.gz JDDLWCSULGSCNC-FCHUYYIVSA-N 1 0 393.487 4.001 20 5 GIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000060882268 823564613 /nfs/dbraw/zinc/56/46/13/823564613.db2.gz ORLPBSVJTZTJMJ-QGZVFWFLSA-N 1 0 396.491 4.410 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(O)CC2)ccc1Oc1ccccc1Cl ZINC000061003529 823572356 /nfs/dbraw/zinc/57/23/56/823572356.db2.gz ZGSDUZVGXRLYHL-UHFFFAOYSA-N 1 0 376.840 4.434 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCCC2)ccc1Oc1ccccc1Cl ZINC000061030871 823574444 /nfs/dbraw/zinc/57/44/44/823574444.db2.gz HBEMKHJMDVYCOU-UHFFFAOYSA-N 1 0 375.856 4.226 20 5 GIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cc1[N+](=O)[O-] ZINC000190446642 823575408 /nfs/dbraw/zinc/57/54/08/823575408.db2.gz FLYLRUGEHDISRX-LLVKDONJSA-N 1 0 395.253 4.225 20 5 GIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190490969 823580553 /nfs/dbraw/zinc/58/05/53/823580553.db2.gz YHWLSJYDFJHUEY-HNNXBMFYSA-N 1 0 380.448 4.234 20 5 GIBDRO CCC[NH+]1CCC(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000061510202 823600633 /nfs/dbraw/zinc/60/06/33/823600633.db2.gz QSPYRBDZDSTHNK-UHFFFAOYSA-N 1 0 393.553 4.337 20 5 GIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412195701 823634620 /nfs/dbraw/zinc/63/46/20/823634620.db2.gz CVPZGWPPABISGV-VQTJNVASSA-N 1 0 379.460 4.241 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000191330383 823672707 /nfs/dbraw/zinc/67/27/07/823672707.db2.gz PFOOZNRFRCTCDZ-UHFFFAOYSA-N 1 0 396.491 4.040 20 5 GIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413232792 823734689 /nfs/dbraw/zinc/73/46/89/823734689.db2.gz GYVSZTXHOILEQD-GOSISDBHSA-N 1 0 391.475 4.029 20 5 GIBDRO COc1ccc(CCC[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000125888096 823738321 /nfs/dbraw/zinc/73/83/21/823738321.db2.gz SSGFFCXBNYSMCO-OAHLLOKOSA-N 1 0 396.447 4.279 20 5 GIBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)cccc21 ZINC000413261223 823740596 /nfs/dbraw/zinc/74/05/96/823740596.db2.gz FYOLTCHBLLXNBL-CQSZACIVSA-N 1 0 382.342 4.137 20 5 GIBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350090 823798302 /nfs/dbraw/zinc/79/83/02/823798302.db2.gz PLOQFSAVRRWUOG-UHFFFAOYSA-N 1 0 375.856 4.487 20 5 GIBDRO COc1cc(F)c([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC ZINC000574840140 823839798 /nfs/dbraw/zinc/83/97/98/823839798.db2.gz NUPAKLFCFWHBCN-GFCCVEGCSA-N 1 0 387.411 4.126 20 5 GIBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)N(C)C ZINC000165689402 823858751 /nfs/dbraw/zinc/85/87/51/823858751.db2.gz GZQSNAYUUABPDA-UZLBHIALSA-N 1 0 399.491 4.172 20 5 GIBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)N(C)C ZINC000165689286 823859061 /nfs/dbraw/zinc/85/90/61/823859061.db2.gz GZQSNAYUUABPDA-OXJNMPFZSA-N 1 0 399.491 4.172 20 5 GIBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000166374267 823876916 /nfs/dbraw/zinc/87/69/16/823876916.db2.gz QNZTWYKKADYHJH-QLFBSQMISA-N 1 0 376.478 4.168 20 5 GIBDRO COc1cc(C[N@@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000575010554 823887229 /nfs/dbraw/zinc/88/72/29/823887229.db2.gz WPXJWCXRMGNRTE-CYBMUJFWSA-N 1 0 388.386 4.167 20 5 GIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(OC[C@@H]2CCOC2)c1 ZINC000167191990 823888599 /nfs/dbraw/zinc/88/85/99/823888599.db2.gz HVPYWDSMCQXDJF-QZTJIDSGSA-N 1 0 384.476 4.478 20 5 GIBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126548402 823895838 /nfs/dbraw/zinc/89/58/38/823895838.db2.gz RDQSHMATTRWIFC-MAUKXSAKSA-N 1 0 385.439 4.032 20 5 GIBDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000168256711 823901599 /nfs/dbraw/zinc/90/15/99/823901599.db2.gz DCPDDGNUFRWXES-HNNXBMFYSA-N 1 0 389.521 4.085 20 5 GIBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1COc2ccccc21 ZINC000169074664 823908013 /nfs/dbraw/zinc/90/80/13/823908013.db2.gz YWLZHHRCVAQHEN-ACJLOTCBSA-N 1 0 381.457 4.373 20 5 GIBDRO CC(C)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCc2cccnc21 ZINC000126921040 823981460 /nfs/dbraw/zinc/98/14/60/823981460.db2.gz QJSQZEIFKYIPOF-HXUWFJFHSA-N 1 0 397.475 4.392 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCN(c4ccc(F)cc4)C3)cs2)c1 ZINC000414595357 824017164 /nfs/dbraw/zinc/01/71/64/824017164.db2.gz SRRILKSPJJVESU-MRXNPFEDSA-N 1 0 398.463 4.226 20 5 GIBDRO CCC(CC)(CNC(=O)c1cccc(OC)c1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000192571042 824035492 /nfs/dbraw/zinc/03/54/92/824035492.db2.gz OQKKYGYZFMAMFX-MRXNPFEDSA-N 1 0 399.491 4.243 20 5 GIBDRO COc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC(F)F ZINC000192638736 824053246 /nfs/dbraw/zinc/05/32/46/824053246.db2.gz PNRWAWZJCOWARB-INIZCTEOSA-N 1 0 378.375 4.372 20 5 GIBDRO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000072006529 211067251 /nfs/dbraw/zinc/06/72/51/211067251.db2.gz XQCOZCADISXQCX-NRFANRHFSA-N 1 0 381.476 4.106 20 5 GIBDRO Cc1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164621931 719070449 /nfs/dbraw/zinc/07/04/49/719070449.db2.gz IIZWIDRMMUQNQC-IAGOWNOFSA-N 1 0 386.883 4.052 20 5 GIBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCCC[C@H]2CC[NH+]2CCCC2)nc1Cl ZINC001165047532 721967725 /nfs/dbraw/zinc/96/77/25/721967725.db2.gz KBALGKFPYLRZAH-ZDUSSCGKSA-N 1 0 388.846 4.033 20 5 GIBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000175871882 823060332 /nfs/dbraw/zinc/06/03/32/823060332.db2.gz BAFZAZWZOOAUPC-UHFFFAOYSA-N 1 0 390.406 4.031 20 5 GIBDRO CC(C)c1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1[N+](=O)[O-] ZINC000120912981 823085909 /nfs/dbraw/zinc/08/59/09/823085909.db2.gz SHPXDDKHUAKWCM-UHFFFAOYSA-N 1 0 379.464 4.141 20 5 GIBDRO CC[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187743070 823123583 /nfs/dbraw/zinc/12/35/83/823123583.db2.gz GXXUXKKHNFFFBV-GOSISDBHSA-N 1 0 375.469 4.203 20 5 GIBDRO CCOc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(Br)c1O ZINC000459525776 823211557 /nfs/dbraw/zinc/21/15/57/823211557.db2.gz OXPFSKWBIPEURN-UHFFFAOYSA-N 1 0 395.253 4.060 20 5 GIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459649580 823238799 /nfs/dbraw/zinc/23/87/99/823238799.db2.gz MELXFAXQYLYUEZ-MAVJXHJTSA-N 1 0 384.398 4.289 20 5 GIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459649585 823238895 /nfs/dbraw/zinc/23/88/95/823238895.db2.gz MELXFAXQYLYUEZ-RCFWFJCLSA-N 1 0 384.398 4.289 20 5 GIBDRO Cc1ccc(Sc2ccc(C[NH2+]CCc3cn(C)cn3)cc2[N+](=O)[O-])cc1 ZINC000459653810 823240501 /nfs/dbraw/zinc/24/05/01/823240501.db2.gz DJBJJSQNNRHTQZ-UHFFFAOYSA-N 1 0 382.489 4.120 20 5 GIBDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571858662 823246983 /nfs/dbraw/zinc/24/69/83/823246983.db2.gz BQEXQNJPHBVATN-QGZVFWFLSA-N 1 0 381.476 4.001 20 5 GIBDRO COCc1cc([N+](=O)[O-])ccc1NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000176642312 823255900 /nfs/dbraw/zinc/25/59/00/823255900.db2.gz MPXUNJWRTCYCFD-QGZVFWFLSA-N 1 0 399.491 4.053 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000008269402 818027331 /nfs/dbraw/zinc/02/73/31/818027331.db2.gz NVLWODZHYVEJCN-AWEZNQCLSA-N 1 0 379.416 4.046 20 5 GIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000011047057 818047921 /nfs/dbraw/zinc/04/79/21/818047921.db2.gz UNWJSTURQQBKEP-MLGOLLRUSA-N 1 0 391.855 4.325 20 5 GIBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000015550387 818337809 /nfs/dbraw/zinc/33/78/09/818337809.db2.gz OPQFIGRITCSGHB-SFHVURJKSA-N 1 0 379.819 4.313 20 5 GIBDRO CSc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000015614210 818348579 /nfs/dbraw/zinc/34/85/79/818348579.db2.gz ZUNIREDUPQSLJV-UHFFFAOYSA-N 1 0 399.516 4.233 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000122340804 823341040 /nfs/dbraw/zinc/34/10/40/823341040.db2.gz GVMBHVANFVUFGR-KRWDZBQOSA-N 1 0 382.508 4.289 20 5 GIBDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000018186131 818555246 /nfs/dbraw/zinc/55/52/46/818555246.db2.gz ZZQKVIISHXFSLN-GOSISDBHSA-N 1 0 387.505 4.168 20 5 GIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023738924 818977227 /nfs/dbraw/zinc/97/72/27/818977227.db2.gz JLIRZHCBBNGUSN-UZLBHIALSA-N 1 0 399.516 4.029 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3CCN(CC(F)(F)F)CC3)o2)c1 ZINC000189471233 823424365 /nfs/dbraw/zinc/42/43/65/823424365.db2.gz AABRIZMOBBPYJT-UHFFFAOYSA-N 1 0 397.397 4.219 20 5 GIBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000573047129 823439811 /nfs/dbraw/zinc/43/98/11/823439811.db2.gz ANANNMBFJSOKKG-YVEFUNNKSA-N 1 0 393.365 4.070 20 5 GIBDRO COc1ccc(C[NH2+]Cc2cncc(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000123077609 823458126 /nfs/dbraw/zinc/45/81/26/823458126.db2.gz ILEQZJHZJTTWTE-UHFFFAOYSA-N 1 0 393.443 4.176 20 5 GIBDRO Cc1c(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000410363612 823475263 /nfs/dbraw/zinc/47/52/63/823475263.db2.gz GLZDXISZRBWYEY-INIZCTEOSA-N 1 0 396.491 4.457 20 5 GIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000059057287 823485017 /nfs/dbraw/zinc/48/50/17/823485017.db2.gz VXACSBZPQWOPIK-HUUCEWRRSA-N 1 0 387.505 4.064 20 5 GIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000059060711 823485324 /nfs/dbraw/zinc/48/53/24/823485324.db2.gz MJZMYBKZYGAFKG-HUUCEWRRSA-N 1 0 387.505 4.064 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000059286426 823489655 /nfs/dbraw/zinc/48/96/55/823489655.db2.gz KBBJNNUFNOJKJP-IRXDYDNUSA-N 1 0 395.503 4.311 20 5 GIBDRO CC1CCN(c2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000031232646 820774932 /nfs/dbraw/zinc/77/49/32/820774932.db2.gz VNMNTVVXCVFTCH-UHFFFAOYSA-N 1 0 396.491 4.145 20 5 GIBDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000123507665 823515716 /nfs/dbraw/zinc/51/57/16/823515716.db2.gz HYRXNZMJEMXABB-VXGBXAGGSA-N 1 0 397.269 4.114 20 5 GIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC000123599451 823524892 /nfs/dbraw/zinc/52/48/92/823524892.db2.gz ZUAGGCXVBCQQJL-UHFFFAOYSA-N 1 0 394.393 4.452 20 5 GIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000043270760 821384161 /nfs/dbraw/zinc/38/41/61/821384161.db2.gz FDZMBPIVPYMPQG-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180689554 821396288 /nfs/dbraw/zinc/39/62/88/821396288.db2.gz QYTPZGQCXRELRA-PKOBYXMFSA-N 1 0 394.393 4.258 20 5 GIBDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000180713544 821412175 /nfs/dbraw/zinc/41/21/75/821412175.db2.gz PEJLYQWJIHLTRL-CHWSQXEVSA-N 1 0 391.855 4.325 20 5 GIBDRO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180781649 821454696 /nfs/dbraw/zinc/45/46/96/821454696.db2.gz CJSRICZYHQRTTR-UNMCSNQZSA-N 1 0 393.487 4.065 20 5 GIBDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000180812408 821473635 /nfs/dbraw/zinc/47/36/35/821473635.db2.gz SIUHWUYMXPAITK-BHIYHBOVSA-N 1 0 388.489 4.092 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000180908206 821529409 /nfs/dbraw/zinc/52/94/09/821529409.db2.gz HJRYOQAKBPQQNM-CVEARBPZSA-N 1 0 390.443 4.335 20 5 GIBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000181034804 821604120 /nfs/dbraw/zinc/60/41/20/821604120.db2.gz DBMWSZCLKUAJSR-LJQANCHMSA-N 1 0 387.867 4.368 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000181235310 821711715 /nfs/dbraw/zinc/71/17/15/821711715.db2.gz YVUAIRRXTFPLSS-OLZOCXBDSA-N 1 0 376.844 4.020 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000181284537 821735191 /nfs/dbraw/zinc/73/51/91/821735191.db2.gz SGLTUXBFHUAKKI-CVEARBPZSA-N 1 0 390.443 4.335 20 5 GIBDRO CC[C@@H](NCc1csc(-c2ccc(C(N)=O)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000181564434 821882591 /nfs/dbraw/zinc/88/25/91/821882591.db2.gz PODZMWPZCXRHNQ-GOSISDBHSA-N 1 0 396.472 4.058 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182250932 822168990 /nfs/dbraw/zinc/16/89/90/822168990.db2.gz NGEIFBKMNAHOEK-OAHLLOKOSA-N 1 0 379.526 4.090 20 5 GIBDRO C[C@H]([NH3+])c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000178254373 822359149 /nfs/dbraw/zinc/35/91/49/822359149.db2.gz DTLLVTVOTASNML-HNNXBMFYSA-N 1 0 382.464 4.103 20 5 GIBDRO Cc1cc(C(=O)NC2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c(C)o1 ZINC000182740918 822360539 /nfs/dbraw/zinc/36/05/39/822360539.db2.gz JHPRGDGSZZAJRI-OAHLLOKOSA-N 1 0 385.464 4.068 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000182859539 822380558 /nfs/dbraw/zinc/38/05/58/822380558.db2.gz DHKHVDQUDBNJJS-MRXNPFEDSA-N 1 0 399.466 4.132 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000182861373 822381148 /nfs/dbraw/zinc/38/11/48/822381148.db2.gz YWXBYLBKYQRVMX-QGZVFWFLSA-N 1 0 393.487 4.266 20 5 GIBDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000178478031 822383125 /nfs/dbraw/zinc/38/31/25/822383125.db2.gz MGJTVHIHPZJXOW-HXUWFJFHSA-N 1 0 381.476 4.300 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H](Cc3ccccc3)C3CC3)o2)c1 ZINC000183390646 822467484 /nfs/dbraw/zinc/46/74/84/822467484.db2.gz KDGHDLIBYCPSLS-HXUWFJFHSA-N 1 0 377.444 4.403 20 5 GIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccncc3)CC2)nc1-c1ccccc1 ZINC000179508094 822493137 /nfs/dbraw/zinc/49/31/37/822493137.db2.gz KXNJPRQPSJZXFO-UHFFFAOYSA-N 1 0 389.459 4.128 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179582997 822506777 /nfs/dbraw/zinc/50/67/77/822506777.db2.gz PLBNLXXGXVUVRQ-CYBMUJFWSA-N 1 0 393.390 4.184 20 5 GIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179796693 822554641 /nfs/dbraw/zinc/55/46/41/822554641.db2.gz LVVYKFZFRSQMCX-MRXNPFEDSA-N 1 0 377.391 4.251 20 5 GIBDRO O=C1CCCCCN1CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179990703 822592002 /nfs/dbraw/zinc/59/20/02/822592002.db2.gz FBDYLKSRZOALDH-QFIPXVFZSA-N 1 0 381.476 4.067 20 5 GIBDRO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)c1ccccc1 ZINC000180012503 822596343 /nfs/dbraw/zinc/59/63/43/822596343.db2.gz OYPPKTUMHCUVGK-SFHVURJKSA-N 1 0 380.448 4.491 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184355331 822621063 /nfs/dbraw/zinc/62/10/63/822621063.db2.gz FUBSVXWBZFMERI-CYBMUJFWSA-N 1 0 399.472 4.498 20 5 GIBDRO Cc1ccc(N[C@H](C)CCc2ccccc2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000184657583 822671752 /nfs/dbraw/zinc/67/17/52/822671752.db2.gz LEFSVOVUBXVXDU-QGZVFWFLSA-N 1 0 398.507 4.227 20 5 GIBDRO O=C(CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000180535931 822698067 /nfs/dbraw/zinc/69/80/67/822698067.db2.gz IITORUJFKKDXGN-QFIPXVFZSA-N 1 0 375.428 4.303 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133711 822747825 /nfs/dbraw/zinc/74/78/25/822747825.db2.gz DUHFGJLWVTXMMV-PGRDOPGGSA-N 1 0 397.475 4.023 20 5 GIBDRO Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000455932579 822752133 /nfs/dbraw/zinc/75/21/33/822752133.db2.gz QBRCRDUPIVAMBM-AUUYWEPGSA-N 1 0 382.464 4.335 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc21 ZINC000455949753 822756580 /nfs/dbraw/zinc/75/65/80/822756580.db2.gz ZAUOXVVASADURD-OAQYLSRUSA-N 1 0 394.475 4.340 20 5 GIBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000185396777 822778430 /nfs/dbraw/zinc/77/84/30/822778430.db2.gz KABXVRNWGRVLQN-LBPRGKRZSA-N 1 0 383.835 4.351 20 5 GIBDRO COc1ccccc1C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000185875856 822829339 /nfs/dbraw/zinc/82/93/39/822829339.db2.gz XYAOWMNLQTZVMG-GOSISDBHSA-N 1 0 396.447 4.010 20 5 GIBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc2NC1=O ZINC000569378683 822913274 /nfs/dbraw/zinc/91/32/74/822913274.db2.gz YOTPHCIZSIRNLX-FXHACXQTSA-N 1 0 381.432 4.042 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000055055582 822935687 /nfs/dbraw/zinc/93/56/87/822935687.db2.gz DMXZDTOUTJLWSP-UHFFFAOYSA-N 1 0 391.265 4.153 20 5 GIBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000570047464 823000658 /nfs/dbraw/zinc/00/06/58/823000658.db2.gz VPPHXXRZTOPHMG-INIZCTEOSA-N 1 0 397.475 4.189 20 5 GIBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C1 ZINC000570194760 823013981 /nfs/dbraw/zinc/01/39/81/823013981.db2.gz CPOPTNJCUOWPPY-FFZOFVMBSA-N 1 0 399.516 4.060 20 5 GIBDRO Cc1ccc([C@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000175732494 823028689 /nfs/dbraw/zinc/02/86/89/823028689.db2.gz JZUKWZHAIVMGLS-KRWDZBQOSA-N 1 0 398.507 4.304 20 5 GIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000190624845 823592937 /nfs/dbraw/zinc/59/29/37/823592937.db2.gz VKZUXBLWZSURGX-CHWSQXEVSA-N 1 0 383.404 4.027 20 5 GIBDRO CC(C)CCSc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000124765649 823624422 /nfs/dbraw/zinc/62/44/22/823624422.db2.gz VEPPMVALZNMAPZ-DOTOQJQBSA-N 1 0 393.553 4.288 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)o2)cc1 ZINC000191355216 823675742 /nfs/dbraw/zinc/67/57/42/823675742.db2.gz BEZGPVMHYPVUHO-HKUYNNGSSA-N 1 0 378.432 4.146 20 5 GIBDRO COc1ccc(C[NH2+]Cc2c(C)noc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000063550124 823678900 /nfs/dbraw/zinc/67/89/00/823678900.db2.gz MLDVTNDVSQLZLF-UHFFFAOYSA-N 1 0 397.431 4.077 20 5 GIBDRO CC[C@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000191532553 823696501 /nfs/dbraw/zinc/69/65/01/823696501.db2.gz NSORZLQYZATWKL-SFHVURJKSA-N 1 0 385.855 4.378 20 5 GIBDRO C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125939690 823749226 /nfs/dbraw/zinc/74/92/26/823749226.db2.gz YGFZOZNNGQWXTH-ORAYPTAESA-N 1 0 381.457 4.201 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000126163672 823803107 /nfs/dbraw/zinc/80/31/07/823803107.db2.gz CNLGTGHNEJEPGP-UHFFFAOYSA-N 1 0 399.516 4.055 20 5 GIBDRO CC(C)c1cccc2c1CCN(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000191892729 823805663 /nfs/dbraw/zinc/80/56/63/823805663.db2.gz FTNYZOPIRXNRDS-UHFFFAOYSA-N 1 0 378.432 4.327 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192107637 823862767 /nfs/dbraw/zinc/86/27/67/823862767.db2.gz KHEDBMQKIRUHKY-WMZOPIPTSA-N 1 0 380.803 4.016 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000574947179 823868498 /nfs/dbraw/zinc/86/84/98/823868498.db2.gz QFKCOHVSGGSOBP-UHFFFAOYSA-N 1 0 396.491 4.252 20 5 GIBDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000414212286 823930038 /nfs/dbraw/zinc/93/00/38/823930038.db2.gz QUMMEAXCNLRGOE-SFHVURJKSA-N 1 0 396.896 4.283 20 5 GIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@@H]3CNC(=O)C3)cc2[N+](=O)[O-])c1 ZINC000414491982 823994855 /nfs/dbraw/zinc/99/48/55/823994855.db2.gz ZXSRJROPQUYMFY-QGZVFWFLSA-N 1 0 397.475 4.045 20 5 GIBDRO COc1cc(C[NH2+][C@H]2CS[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414496881 823995196 /nfs/dbraw/zinc/99/51/96/823995196.db2.gz DYVWVIJXTJLZTO-RHSMWYFYSA-N 1 0 388.489 4.166 20 5 GIBDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414545929 824007417 /nfs/dbraw/zinc/00/74/17/824007417.db2.gz SFPKKAOLDLQAJY-ZDUSSCGKSA-N 1 0 391.855 4.043 20 5 GIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000192511981 824016417 /nfs/dbraw/zinc/01/64/17/824016417.db2.gz AATQBTWDBXRPTN-GOSISDBHSA-N 1 0 378.375 4.446 20 5 GIBDRO O=[N+]([O-])c1cccc2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc21 ZINC001164619862 719075884 /nfs/dbraw/zinc/07/58/84/719075884.db2.gz CSJKCHITXURAFO-GCJKJVERSA-N 1 0 388.471 4.244 20 5 GIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628845 719088025 /nfs/dbraw/zinc/08/80/25/719088025.db2.gz OZRJUPGEBXPOGF-DENIHFKCSA-N 1 0 388.471 4.244 20 5 GIBDRO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730500 720355462 /nfs/dbraw/zinc/35/54/62/720355462.db2.gz ZTUAZIUJYYCRDA-NHCUHLMSSA-N 1 0 381.483 4.031 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000120859128 823078570 /nfs/dbraw/zinc/07/85/70/823078570.db2.gz CVMZJBRBXNZUQR-INIZCTEOSA-N 1 0 382.395 4.164 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000056156796 823091624 /nfs/dbraw/zinc/09/16/24/823091624.db2.gz PSYXVHDMGHRFFS-JKSUJKDBSA-N 1 0 385.464 4.368 20 5 GIBDRO Cc1nn(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121097669 823117882 /nfs/dbraw/zinc/11/78/82/823117882.db2.gz LUKWFDLFDWULFV-HNNXBMFYSA-N 1 0 391.431 4.231 20 5 GIBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000571002669 823118296 /nfs/dbraw/zinc/11/82/96/823118296.db2.gz NNFFUERUYPYBBB-OKILXGFUSA-N 1 0 387.402 4.285 20 5 GIBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000121148726 823127469 /nfs/dbraw/zinc/12/74/69/823127469.db2.gz MQYDMMCDUMXEGZ-UHFFFAOYSA-N 1 0 395.484 4.315 20 5 GIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O ZINC000459567118 823222071 /nfs/dbraw/zinc/22/20/71/823222071.db2.gz JHQFLMGELGEFIJ-NSHDSACASA-N 1 0 395.253 4.312 20 5 GIBDRO CC(C)(O)C1C[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000459615087 823230128 /nfs/dbraw/zinc/23/01/28/823230128.db2.gz VQFRDLNADWVIFX-UHFFFAOYSA-N 1 0 376.840 4.243 20 5 GIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459649578 823238553 /nfs/dbraw/zinc/23/85/53/823238553.db2.gz MELXFAXQYLYUEZ-IVZVJUQRSA-N 1 0 384.398 4.289 20 5 GIBDRO C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000188512127 823253782 /nfs/dbraw/zinc/25/37/82/823253782.db2.gz VHFPMSJIEMZOKL-KRWDZBQOSA-N 1 0 381.476 4.074 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000188618534 823274226 /nfs/dbraw/zinc/27/42/26/823274226.db2.gz WFGPPJXGICMCCU-RVSPLBMKSA-N 1 0 390.402 4.128 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000007686427 817894963 /nfs/dbraw/zinc/89/49/63/817894963.db2.gz PGFILJMAICPPDY-GOSISDBHSA-N 1 0 375.856 4.061 20 5 GIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000015617217 818348681 /nfs/dbraw/zinc/34/86/81/818348681.db2.gz UCCIJUMTQKWKFW-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC000176941952 823330393 /nfs/dbraw/zinc/33/03/93/823330393.db2.gz QGRJXOABIGNQCT-UHFFFAOYSA-N 1 0 392.415 4.096 20 5 GIBDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000122493383 823362930 /nfs/dbraw/zinc/36/29/30/823362930.db2.gz DUWVZSXVJISFDC-UHFFFAOYSA-N 1 0 382.464 4.021 20 5 GIBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCCC2)cc1 ZINC000024057865 819017124 /nfs/dbraw/zinc/01/71/24/819017124.db2.gz VSEGMUAYSLSXEO-NRFANRHFSA-N 1 0 392.459 4.401 20 5 GIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000024252853 819039526 /nfs/dbraw/zinc/03/95/26/819039526.db2.gz AXMXRGNNVQHUOG-MRXNPFEDSA-N 1 0 391.855 4.326 20 5 GIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1(c2ccccc2)CC1 ZINC000189295560 823389040 /nfs/dbraw/zinc/38/90/40/823389040.db2.gz FZYBSPGHZRIUSC-UHFFFAOYSA-N 1 0 377.444 4.456 20 5 GIBDRO C[N@H+](Cc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000025154619 819936392 /nfs/dbraw/zinc/93/63/92/819936392.db2.gz CRKCNAABNRSGIQ-UHFFFAOYSA-N 1 0 397.475 4.377 20 5 GIBDRO C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025215378 819944186 /nfs/dbraw/zinc/94/41/86/819944186.db2.gz DRWRDLPFMHJXHZ-BZNIZROVSA-N 1 0 391.880 4.402 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@H](c2ccccc2)c2ccccn2)cccc1[N+](=O)[O-] ZINC000026230799 820072410 /nfs/dbraw/zinc/07/24/10/820072410.db2.gz GCIQQJLRGJQSFS-JOCHJYFZSA-N 1 0 390.443 4.006 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000026266854 820077149 /nfs/dbraw/zinc/07/71/49/820077149.db2.gz SYHFAPNQGYQAJB-HXUWFJFHSA-N 1 0 389.427 4.058 20 5 GIBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000026711305 820135842 /nfs/dbraw/zinc/13/58/42/820135842.db2.gz SBFRLHXKJGWUME-QFIPXVFZSA-N 1 0 392.455 4.037 20 5 GIBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)OCCc2sccc21 ZINC000573170068 823459528 /nfs/dbraw/zinc/45/95/28/823459528.db2.gz FRMTWLOVLYOWSZ-FQEVSTJZSA-N 1 0 384.457 4.494 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)o1 ZINC000189608943 823457349 /nfs/dbraw/zinc/45/73/49/823457349.db2.gz RZHKLMDTHSKIFH-ACJLOTCBSA-N 1 0 398.381 4.428 20 5 GIBDRO Cc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000027573004 820261234 /nfs/dbraw/zinc/26/12/34/820261234.db2.gz GHGZIWAPQZXUBO-QGZVFWFLSA-N 1 0 387.505 4.168 20 5 GIBDRO O=c1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c2c(ccc3ccccc32)o1 ZINC000177456536 823466913 /nfs/dbraw/zinc/46/69/13/823466913.db2.gz SDWIJYUPTLLIBB-FQEVSTJZSA-N 1 0 393.483 4.106 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000059410382 823495578 /nfs/dbraw/zinc/49/55/78/823495578.db2.gz PMKZHIZTYVRJDE-CALCHBBNSA-N 1 0 395.503 4.311 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000460860121 823530676 /nfs/dbraw/zinc/53/06/76/823530676.db2.gz FAXMGWKQMBZNCC-UHFFFAOYSA-N 1 0 381.476 4.065 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000177875395 823539707 /nfs/dbraw/zinc/53/97/07/823539707.db2.gz AZXFSHGPQKGXDY-KRWDZBQOSA-N 1 0 381.476 4.380 20 5 GIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000042699396 821325645 /nfs/dbraw/zinc/32/56/45/821325645.db2.gz TTZLBACHKOPQBE-UHFFFAOYSA-N 1 0 396.447 4.049 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2ccccc2)c1 ZINC000180748559 821432247 /nfs/dbraw/zinc/43/22/47/821432247.db2.gz RZZMIBCNAINKJQ-GHTZIAJQSA-N 1 0 392.434 4.087 20 5 GIBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180862286 821500427 /nfs/dbraw/zinc/50/04/27/821500427.db2.gz WYERUOCTMALSDG-STQMWFEESA-N 1 0 380.876 4.023 20 5 GIBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870798 821504723 /nfs/dbraw/zinc/50/47/23/821504723.db2.gz IXDJVBWLPBIFBY-HIFRSBDPSA-N 1 0 376.840 4.243 20 5 GIBDRO C[C@H](CCO)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000180976486 821568421 /nfs/dbraw/zinc/56/84/21/821568421.db2.gz HMQWCTNPFWSTBB-QGZVFWFLSA-N 1 0 395.459 4.065 20 5 GIBDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180993241 821581144 /nfs/dbraw/zinc/58/11/44/821581144.db2.gz FQPWJMJVLHJAQL-CABCVRRESA-N 1 0 395.463 4.032 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)cc1[N+](=O)[O-] ZINC000181234758 821710928 /nfs/dbraw/zinc/71/09/28/821710928.db2.gz HSUKQMSDBKHPNM-RMQYNXQMSA-N 1 0 379.460 4.387 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181279082 821731772 /nfs/dbraw/zinc/73/17/72/821731772.db2.gz AQWLKFKEVQGFJU-OAHLLOKOSA-N 1 0 399.447 4.189 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181298456 821742846 /nfs/dbraw/zinc/74/28/46/821742846.db2.gz DHTJXUMFBNUVJL-INIZCTEOSA-N 1 0 390.443 4.255 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000181554303 821879237 /nfs/dbraw/zinc/87/92/37/821879237.db2.gz XWRCFGFBIWOSQI-APWZRJJASA-N 1 0 386.492 4.446 20 5 GIBDRO C[C@H](c1ccncc1)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000181587386 821891669 /nfs/dbraw/zinc/89/16/69/821891669.db2.gz NWYODLNOZUDZKQ-VGOFRKELSA-N 1 0 394.519 4.126 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000181616144 821905168 /nfs/dbraw/zinc/90/51/68/821905168.db2.gz SSMXLTLLMITWBF-GFCCVEGCSA-N 1 0 381.354 4.293 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664114 821931137 /nfs/dbraw/zinc/93/11/37/821931137.db2.gz OUKMDQQGPOKWQB-GJZGRUSLSA-N 1 0 391.537 4.090 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000181826487 822008282 /nfs/dbraw/zinc/00/82/82/822008282.db2.gz GEYURIKCZWSMMA-KBPBESRZSA-N 1 0 375.856 4.085 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000181828364 822009031 /nfs/dbraw/zinc/00/90/31/822009031.db2.gz HPRLSDFVLHRSFZ-KGLIPLIRSA-N 1 0 391.418 4.052 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182250955 822169049 /nfs/dbraw/zinc/16/90/49/822169049.db2.gz NGEIFBKMNAHOEK-HNNXBMFYSA-N 1 0 379.526 4.090 20 5 GIBDRO CCC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000178170903 822341087 /nfs/dbraw/zinc/34/10/87/822341087.db2.gz UAJZUIWCNVMEMM-GOSISDBHSA-N 1 0 375.856 4.109 20 5 GIBDRO COc1ccccc1NC(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182858169 822380158 /nfs/dbraw/zinc/38/01/58/822380158.db2.gz IHHUCJACETUKTQ-MRXNPFEDSA-N 1 0 397.475 4.324 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000182859560 822380574 /nfs/dbraw/zinc/38/05/74/822380574.db2.gz DHKHVDQUDBNJJS-INIZCTEOSA-N 1 0 399.466 4.132 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000182861184 822381245 /nfs/dbraw/zinc/38/12/45/822381245.db2.gz UMDDXDGORFDNPT-INIZCTEOSA-N 1 0 382.464 4.250 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000182932984 822395262 /nfs/dbraw/zinc/39/52/62/822395262.db2.gz KOFKEMOLGKMKII-UHFFFAOYSA-N 1 0 376.501 4.269 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000178679644 822402264 /nfs/dbraw/zinc/40/22/64/822402264.db2.gz OFELLZMRWYQKDT-OLZOCXBDSA-N 1 0 393.390 4.182 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000178682134 822402404 /nfs/dbraw/zinc/40/24/04/822402404.db2.gz DPKMLKHCMXWFCI-CHWSQXEVSA-N 1 0 393.390 4.182 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000178683441 822402743 /nfs/dbraw/zinc/40/27/43/822402743.db2.gz MSNNWIGDEYYWPB-NEPJUHHUSA-N 1 0 379.819 4.374 20 5 GIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1C(F)(F)F ZINC000179256266 822458005 /nfs/dbraw/zinc/45/80/05/822458005.db2.gz MCSVIFPEAUVQMU-UHFFFAOYSA-N 1 0 380.370 4.085 20 5 GIBDRO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000183470742 822479997 /nfs/dbraw/zinc/47/99/97/822479997.db2.gz POWHBYHXEIZHOO-KRWDZBQOSA-N 1 0 378.432 4.251 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000179501811 822492329 /nfs/dbraw/zinc/49/23/29/822492329.db2.gz JNMYZSKPKYEARN-PIGZYNQJSA-N 1 0 382.819 4.170 20 5 GIBDRO Cc1c([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000179599881 822510269 /nfs/dbraw/zinc/51/02/69/822510269.db2.gz AKMNIEOXZFCJJS-UKRRQHHQSA-N 1 0 376.482 4.064 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179614289 822513061 /nfs/dbraw/zinc/51/30/61/822513061.db2.gz SSSUGJAWEULPJA-ZDUSSCGKSA-N 1 0 393.390 4.184 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000179677579 822525184 /nfs/dbraw/zinc/52/51/84/822525184.db2.gz NFEGQMXJOWWXGD-MRXNPFEDSA-N 1 0 385.464 4.370 20 5 GIBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000047187865 822552617 /nfs/dbraw/zinc/55/26/17/822552617.db2.gz DAWFEBQNLOVEGL-CQSZACIVSA-N 1 0 375.494 4.051 20 5 GIBDRO CSc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)[NH+](C)C)cc1 ZINC000455174748 822601977 /nfs/dbraw/zinc/60/19/77/822601977.db2.gz VVEJPJJQBDJAOF-SFHVURJKSA-N 1 0 388.493 4.050 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000180155043 822628488 /nfs/dbraw/zinc/62/84/88/822628488.db2.gz XVWXTNNYWBIJJX-BEFAXECRSA-N 1 0 393.409 4.158 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000180201018 822638387 /nfs/dbraw/zinc/63/83/87/822638387.db2.gz WXMIPNPWUMHRSR-KRWDZBQOSA-N 1 0 391.537 4.186 20 5 GIBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2C1 ZINC000184520854 822649924 /nfs/dbraw/zinc/64/99/24/822649924.db2.gz LNAJJWOPLIXAEP-XOBRGWDASA-N 1 0 385.439 4.186 20 5 GIBDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184664602 822672703 /nfs/dbraw/zinc/67/27/03/822672703.db2.gz VPIHWCBJCBIWET-CYBMUJFWSA-N 1 0 375.856 4.318 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000180454531 822685293 /nfs/dbraw/zinc/68/52/93/822685293.db2.gz MLRNLICGZNIDEK-QFIPXVFZSA-N 1 0 385.427 4.055 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184881940 822706426 /nfs/dbraw/zinc/70/64/26/822706426.db2.gz UFKXCQPLRQNXTH-OAHLLOKOSA-N 1 0 394.431 4.238 20 5 GIBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000456185193 822787067 /nfs/dbraw/zinc/78/70/67/822787067.db2.gz KOUWMAOQVYWKPF-UHFFFAOYSA-N 1 0 396.491 4.266 20 5 GIBDRO COc1ccc([C@@H](C)CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000174507385 822798470 /nfs/dbraw/zinc/79/84/70/822798470.db2.gz WQVNDTGIZQYCED-INIZCTEOSA-N 1 0 394.475 4.287 20 5 GIBDRO C[C@@](O)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccco1 ZINC000174527533 822801354 /nfs/dbraw/zinc/80/13/54/822801354.db2.gz LJUKCSNDGYQMFI-GOSISDBHSA-N 1 0 376.796 4.099 20 5 GIBDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000052712388 822808196 /nfs/dbraw/zinc/80/81/96/822808196.db2.gz BQXLLUOUKDEZGM-KGLIPLIRSA-N 1 0 397.431 4.418 20 5 GIBDRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000052712389 822808268 /nfs/dbraw/zinc/80/82/68/822808268.db2.gz BQXLLUOUKDEZGM-KBPBESRZSA-N 1 0 397.431 4.418 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000175086329 822879871 /nfs/dbraw/zinc/87/98/71/822879871.db2.gz AZYONXPLIVEROT-UHFFFAOYSA-N 1 0 399.491 4.005 20 5 GIBDRO Cc1c(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000569158325 822885569 /nfs/dbraw/zinc/88/55/69/822885569.db2.gz TVBWUKWSMLVXHM-LJQANCHMSA-N 1 0 396.491 4.327 20 5 GIBDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569223410 822894348 /nfs/dbraw/zinc/89/43/48/822894348.db2.gz VFUNOLUYCVNIMI-HNNXBMFYSA-N 1 0 394.475 4.188 20 5 GIBDRO Cn1nc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000186481686 822902464 /nfs/dbraw/zinc/90/24/64/822902464.db2.gz MVDDUDDJJYWSLA-APWZRJJASA-N 1 0 378.476 4.025 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000175272965 822921490 /nfs/dbraw/zinc/92/14/90/822921490.db2.gz ZNHMPIRAVKOLOK-QGZVFWFLSA-N 1 0 375.856 4.061 20 5 GIBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186847980 822966949 /nfs/dbraw/zinc/96/69/49/822966949.db2.gz AIPYNZNMBMXTKG-GUYCJALGSA-N 1 0 395.381 4.248 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccsc1 ZINC000175480668 822979065 /nfs/dbraw/zinc/97/90/65/822979065.db2.gz OAWYZEPOQYAWMO-HNNXBMFYSA-N 1 0 381.885 4.123 20 5 GIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)CCC2 ZINC000569897385 822982647 /nfs/dbraw/zinc/98/26/47/822982647.db2.gz YLDFDHYIHYUKKL-KRWDZBQOSA-N 1 0 395.381 4.141 20 5 GIBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000570194762 823014017 /nfs/dbraw/zinc/01/40/17/823014017.db2.gz CPOPTNJCUOWPPY-PWIZWCRZSA-N 1 0 399.516 4.060 20 5 GIBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000570247493 823018883 /nfs/dbraw/zinc/01/88/83/823018883.db2.gz COGALFXVTMXOFU-IRXDYDNUSA-N 1 0 397.475 4.118 20 5 GIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccn(-c3ccc(F)cc3)n1)CCC2 ZINC000570272308 823021685 /nfs/dbraw/zinc/02/16/85/823021685.db2.gz CTISPVCJMFKFCI-OAQYLSRUSA-N 1 0 380.423 4.129 20 5 GIBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000570473141 823042557 /nfs/dbraw/zinc/04/25/57/823042557.db2.gz TZBMWYJFWUQGAW-FQEVSTJZSA-N 1 0 383.448 4.055 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000411119777 823549585 /nfs/dbraw/zinc/54/95/85/823549585.db2.gz LOFUUVNYCQWGSS-IBGZPJMESA-N 1 0 383.448 4.078 20 5 GIBDRO CSC[C@@H](CCO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000124170155 823574037 /nfs/dbraw/zinc/57/40/37/823574037.db2.gz ULMJTGUGIHFTHB-CQSZACIVSA-N 1 0 396.896 4.244 20 5 GIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000190624830 823592847 /nfs/dbraw/zinc/59/28/47/823592847.db2.gz VKZUXBLWZSURGX-OLZOCXBDSA-N 1 0 383.404 4.027 20 5 GIBDRO CC(C)([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000411753817 823602601 /nfs/dbraw/zinc/60/26/01/823602601.db2.gz DFRFBUJVRUHMNZ-UHFFFAOYSA-N 1 0 386.839 4.366 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000124624108 823612149 /nfs/dbraw/zinc/61/21/49/823612149.db2.gz IPGFNDFEPAOMKS-MRXNPFEDSA-N 1 0 398.850 4.411 20 5 GIBDRO C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412062176 823625097 /nfs/dbraw/zinc/62/50/97/823625097.db2.gz BSHNUGZCLSQBEB-MAZHCROVSA-N 1 0 388.468 4.278 20 5 GIBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190951958 823629483 /nfs/dbraw/zinc/62/94/83/823629483.db2.gz FWSMKBANHQPCSL-NQIIRXRSSA-N 1 0 392.459 4.105 20 5 GIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412202298 823635346 /nfs/dbraw/zinc/63/53/46/823635346.db2.gz ZTDUJMVJIRQAKC-VOQZNFBZSA-N 1 0 399.535 4.201 20 5 GIBDRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000125368424 823670987 /nfs/dbraw/zinc/67/09/87/823670987.db2.gz OQSPMCHRJRSUFA-UNMCSNQZSA-N 1 0 384.476 4.026 20 5 GIBDRO C[C@@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000163361405 823704058 /nfs/dbraw/zinc/70/40/58/823704058.db2.gz KFBOCQNLDRLSBV-FQEVSTJZSA-N 1 0 387.867 4.033 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125770374 823706626 /nfs/dbraw/zinc/70/66/26/823706626.db2.gz LOCZYFOGEWUNNQ-RYUDHWBXSA-N 1 0 397.353 4.171 20 5 GIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125777298 823707903 /nfs/dbraw/zinc/70/79/03/823707903.db2.gz WDJXTQZXXOGMLV-INIZCTEOSA-N 1 0 393.553 4.193 20 5 GIBDRO C[C@@](O)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000191674782 823729249 /nfs/dbraw/zinc/72/92/49/823729249.db2.gz JLTTYYIYAHPJIA-LJQANCHMSA-N 1 0 375.494 4.139 20 5 GIBDRO COc1ccc2c(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc(=O)oc2c1 ZINC000064350411 823798995 /nfs/dbraw/zinc/79/89/95/823798995.db2.gz PWJJLZUWIUAARA-UHFFFAOYSA-N 1 0 382.416 4.120 20 5 GIBDRO Cc1c(Cc2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)cccc1[N+](=O)[O-] ZINC000574794206 823828452 /nfs/dbraw/zinc/82/84/52/823828452.db2.gz GDRKOHPHPCENRA-UHFFFAOYSA-N 1 0 378.432 4.140 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000165186537 823838602 /nfs/dbraw/zinc/83/86/02/823838602.db2.gz HOZDLRVPECFYLW-CYBMUJFWSA-N 1 0 377.391 4.203 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000126391185 823855069 /nfs/dbraw/zinc/85/50/69/823855069.db2.gz MZGVPEKIMATRJX-DLBZAZTESA-N 1 0 396.491 4.181 20 5 GIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)N(C)C ZINC000165689916 823859526 /nfs/dbraw/zinc/85/95/26/823859526.db2.gz LCLQGTOHWQXQBM-APWZRJJASA-N 1 0 399.491 4.172 20 5 GIBDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000126411756 823860514 /nfs/dbraw/zinc/86/05/14/823860514.db2.gz VPKQWTSZWPOATG-HXUWFJFHSA-N 1 0 382.416 4.029 20 5 GIBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccc(C(F)(F)F)cc1 ZINC000064947772 823916634 /nfs/dbraw/zinc/91/66/34/823916634.db2.gz MDNMLSHIRHMJQY-HNNXBMFYSA-N 1 0 399.417 4.151 20 5 GIBDRO Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+]1CCCC1 ZINC000575229699 823947747 /nfs/dbraw/zinc/94/77/47/823947747.db2.gz QPBDRQGBLAMTGE-KRWDZBQOSA-N 1 0 397.475 4.120 20 5 GIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000575612492 823979161 /nfs/dbraw/zinc/97/91/61/823979161.db2.gz RKVDPMSLJJREMH-ALOPSCKCSA-N 1 0 398.438 4.051 20 5 GIBDRO COCC[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414487757 823993749 /nfs/dbraw/zinc/99/37/49/823993749.db2.gz VVYCBJLVJSRZOO-LBPRGKRZSA-N 1 0 397.269 4.380 20 5 GIBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414937614 824052440 /nfs/dbraw/zinc/05/24/40/824052440.db2.gz HWEOIIKKTAQMAH-XJKSGUPXSA-N 1 0 375.856 4.128 20 5 GIBDRO O=[N+]([O-])c1ccc2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001164623633 719071195 /nfs/dbraw/zinc/07/11/95/719071195.db2.gz KASLHRQILKXKKK-UGKGYDQZSA-N 1 0 388.471 4.244 20 5 GIBDRO O=[N+]([O-])c1cccc2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc21 ZINC001164619865 719075852 /nfs/dbraw/zinc/07/58/52/719075852.db2.gz CSJKCHITXURAFO-PGRDOPGGSA-N 1 0 388.471 4.244 20 5 GIBDRO C[NH+](C)[C@@H]1CCCN(c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])C1 ZINC001165040661 721891431 /nfs/dbraw/zinc/89/14/31/721891431.db2.gz ZYCXPIKFSLQWST-GFCCVEGCSA-N 1 0 394.834 4.105 20 5 GIBDRO O=[N+]([O-])c1ccccc1/C=C/c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000570559815 823054754 /nfs/dbraw/zinc/05/47/54/823054754.db2.gz LVOKCPMPZIRTDT-VAWYXSNFSA-N 1 0 376.416 4.411 20 5 GIBDRO Cn1cc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570861051 823097548 /nfs/dbraw/zinc/09/75/48/823097548.db2.gz DCLLZLHLZNTCIK-RTWAWAEBSA-N 1 0 392.459 4.005 20 5 GIBDRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196557 823100739 /nfs/dbraw/zinc/10/07/39/823100739.db2.gz VNLFZBBHRYQCNH-QWHCGFSZSA-N 1 0 391.855 4.243 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000056197304 823101210 /nfs/dbraw/zinc/10/12/10/823101210.db2.gz MGWVANTWDFABEV-VXGBXAGGSA-N 1 0 381.354 4.291 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000176225208 823157284 /nfs/dbraw/zinc/15/72/84/823157284.db2.gz JUKPCKUXAWIRPX-UHFFFAOYSA-N 1 0 396.491 4.245 20 5 GIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121298934 823158042 /nfs/dbraw/zinc/15/80/42/823158042.db2.gz DLAPHPLUEFBOAA-GOEBONIOSA-N 1 0 396.422 4.410 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459646810 823237845 /nfs/dbraw/zinc/23/78/45/823237845.db2.gz SRAYVABCGITPNM-LSDHHAIUSA-N 1 0 381.436 4.102 20 5 GIBDRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571858661 823247057 /nfs/dbraw/zinc/24/70/57/823247057.db2.gz BQEXQNJPHBVATN-KRWDZBQOSA-N 1 0 381.476 4.001 20 5 GIBDRO COCc1cc([N+](=O)[O-])ccc1NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000176642297 823255928 /nfs/dbraw/zinc/25/59/28/823255928.db2.gz MPXUNJWRTCYCFD-KRWDZBQOSA-N 1 0 399.491 4.053 20 5 GIBDRO Cc1cc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000409657327 823275446 /nfs/dbraw/zinc/27/54/46/823275446.db2.gz OIWRQMJGNHWVKL-MRXNPFEDSA-N 1 0 391.475 4.368 20 5 GIBDRO Cc1cc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000409657326 823275558 /nfs/dbraw/zinc/27/55/58/823275558.db2.gz OIWRQMJGNHWVKL-INIZCTEOSA-N 1 0 391.475 4.368 20 5 GIBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176721879 823276773 /nfs/dbraw/zinc/27/67/73/823276773.db2.gz OPHUTRDLRDTPQK-ZBFHGGJFSA-N 1 0 387.867 4.031 20 5 GIBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121947397 823282758 /nfs/dbraw/zinc/28/27/58/823282758.db2.gz MRWPYIHPJGPAMX-QGZVFWFLSA-N 1 0 396.472 4.370 20 5 GIBDRO O=[N+]([O-])c1ccc(NC(=S)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007402455 817831305 /nfs/dbraw/zinc/83/13/05/817831305.db2.gz ZAOBLOILCCNEJD-UHFFFAOYSA-N 1 0 384.505 4.067 20 5 GIBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000122052002 823299168 /nfs/dbraw/zinc/29/91/68/823299168.db2.gz OTIZAXKMAZCBOP-QGZVFWFLSA-N 1 0 396.472 4.370 20 5 GIBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008003763 817979295 /nfs/dbraw/zinc/97/92/95/817979295.db2.gz YLNUSRDHBDWNEJ-SFHVURJKSA-N 1 0 379.819 4.313 20 5 GIBDRO C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011046265 818047318 /nfs/dbraw/zinc/04/73/18/818047318.db2.gz DNSAVLSVMUYABG-KRWDZBQOSA-N 1 0 389.455 4.344 20 5 GIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000011102296 818052430 /nfs/dbraw/zinc/05/24/30/818052430.db2.gz GPTXYYSGYPCTST-BFUOFWGJSA-N 1 0 389.427 4.056 20 5 GIBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCCC1 ZINC000015128622 818293239 /nfs/dbraw/zinc/29/32/39/818293239.db2.gz ZTMSDZFWOPUGGY-OAQYLSRUSA-N 1 0 392.459 4.401 20 5 GIBDRO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000018186141 818555270 /nfs/dbraw/zinc/55/52/70/818555270.db2.gz LSVWVHPBFZNFBU-GOSISDBHSA-N 1 0 387.505 4.168 20 5 GIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000057913840 823347947 /nfs/dbraw/zinc/34/79/47/823347947.db2.gz BSCBZEGUECLUSZ-UHFFFAOYSA-N 1 0 391.537 4.235 20 5 GIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000019625728 818596578 /nfs/dbraw/zinc/59/65/78/818596578.db2.gz KPASGTLWUJIXLY-SJCJKPOMSA-N 1 0 391.855 4.325 20 5 GIBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000189116669 823360094 /nfs/dbraw/zinc/36/00/94/823360094.db2.gz PAEFBVVETIGIGI-WDEREUQCSA-N 1 0 383.242 4.130 20 5 GIBDRO O=[N+]([O-])c1cccc(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000022994854 818886320 /nfs/dbraw/zinc/88/63/20/818886320.db2.gz ZVNIICSQUVQULL-UHFFFAOYSA-N 1 0 393.409 4.322 20 5 GIBDRO CCOc1ccccc1C1=CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000410024860 823373620 /nfs/dbraw/zinc/37/36/20/823373620.db2.gz GSFGCMZSJOYSHI-UHFFFAOYSA-N 1 0 395.459 4.111 20 5 GIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000058350568 823381312 /nfs/dbraw/zinc/38/13/12/823381312.db2.gz DARZDRAMPJIKCO-UHFFFAOYSA-N 1 0 375.856 4.018 20 5 GIBDRO Cc1ccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122725902 823401220 /nfs/dbraw/zinc/40/12/20/823401220.db2.gz JSZICZLANXKCAN-VGSWGCGISA-N 1 0 384.476 4.318 20 5 GIBDRO CCOc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OCC ZINC000572877808 823412877 /nfs/dbraw/zinc/41/28/77/823412877.db2.gz CAZCHBDSMOGCSI-UHFFFAOYSA-N 1 0 383.448 4.206 20 5 GIBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122768585 823409054 /nfs/dbraw/zinc/40/90/54/823409054.db2.gz RSGDTMNHIXEHPG-AUUYWEPGSA-N 1 0 376.478 4.071 20 5 GIBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000573047126 823439925 /nfs/dbraw/zinc/43/99/25/823439925.db2.gz ANANNMBFJSOKKG-SJCJKPOMSA-N 1 0 393.365 4.070 20 5 GIBDRO C[N@H+](Cc1ccccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000025252123 819950592 /nfs/dbraw/zinc/95/05/92/819950592.db2.gz FRKDSDSJGYXQPN-UHFFFAOYSA-N 1 0 396.491 4.070 20 5 GIBDRO O=C(CC[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000026219225 820070565 /nfs/dbraw/zinc/07/05/65/820070565.db2.gz OCTHZWWVVVTLKV-UHFFFAOYSA-N 1 0 375.428 4.303 20 5 GIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000573141422 823454166 /nfs/dbraw/zinc/45/41/66/823454166.db2.gz GKAFOGBCZORSCD-JOCHJYFZSA-N 1 0 397.475 4.453 20 5 GIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC12CC3CC(CC(C3)C1)C2 ZINC000027782519 820286753 /nfs/dbraw/zinc/28/67/53/820286753.db2.gz SOYLYOLJTHWDAD-UHFFFAOYSA-N 1 0 382.464 4.293 20 5 GIBDRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000058952499 823474986 /nfs/dbraw/zinc/47/49/86/823474986.db2.gz OCNOKHARTWONKR-INIZCTEOSA-N 1 0 381.476 4.208 20 5 GIBDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c(OC)n1 ZINC000573291280 823476677 /nfs/dbraw/zinc/47/66/77/823476677.db2.gz KNTXZJKUYTWTEH-UHFFFAOYSA-N 1 0 385.445 4.025 20 5 GIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000059057283 823484897 /nfs/dbraw/zinc/48/48/97/823484897.db2.gz VXACSBZPQWOPIK-GASCZTMLSA-N 1 0 387.505 4.064 20 5 GIBDRO CC[C@@](C)(O)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000189739093 823485180 /nfs/dbraw/zinc/48/51/80/823485180.db2.gz HHTFRWVADJVZEC-JOCHJYFZSA-N 1 0 395.459 4.413 20 5 GIBDRO Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000410486495 823499001 /nfs/dbraw/zinc/49/90/01/823499001.db2.gz SWRHHTLHQYJCQZ-UHFFFAOYSA-N 1 0 381.354 4.236 20 5 GIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000036763438 821082217 /nfs/dbraw/zinc/08/22/17/821082217.db2.gz YDLHGFKWURCUCX-UHFFFAOYSA-N 1 0 396.491 4.289 20 5 GIBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000039564043 821115914 /nfs/dbraw/zinc/11/59/14/821115914.db2.gz CCAMXAPJGSYLCS-UHFFFAOYSA-N 1 0 375.494 4.002 20 5 GIBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000041934639 821247437 /nfs/dbraw/zinc/24/74/37/821247437.db2.gz JRUCVYVWDAFLFB-UHFFFAOYSA-N 1 0 382.464 4.315 20 5 GIBDRO Cc1c([C@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)cccc1[N+](=O)[O-] ZINC000180706446 821407842 /nfs/dbraw/zinc/40/78/42/821407842.db2.gz QXPQPINGMXEUQQ-ZDUSSCGKSA-N 1 0 386.839 4.500 20 5 GIBDRO Cc1c([C@@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)cccc1[N+](=O)[O-] ZINC000180706429 821407851 /nfs/dbraw/zinc/40/78/51/821407851.db2.gz QXPQPINGMXEUQQ-CYBMUJFWSA-N 1 0 386.839 4.500 20 5 GIBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000180866010 821502351 /nfs/dbraw/zinc/50/23/51/821502351.db2.gz IWRZJBDNTPXBHV-ZFWWWQNUSA-N 1 0 376.840 4.243 20 5 GIBDRO O=C(NCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000180896144 821521933 /nfs/dbraw/zinc/52/19/33/821521933.db2.gz AWYTWEAQLFMKFX-HXUWFJFHSA-N 1 0 395.484 4.155 20 5 GIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000044754608 821653636 /nfs/dbraw/zinc/65/36/36/821653636.db2.gz NLHJHHKKVQQFEI-IAGOWNOFSA-N 1 0 381.476 4.003 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000181235269 821711784 /nfs/dbraw/zinc/71/17/84/821711784.db2.gz YVUAIRRXTFPLSS-STQMWFEESA-N 1 0 376.844 4.020 20 5 GIBDRO CC(C)(CO)[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000181553752 821878757 /nfs/dbraw/zinc/87/87/57/821878757.db2.gz JYKLOSIUFBNCNX-RTWAWAEBSA-N 1 0 382.504 4.308 20 5 GIBDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000181755553 821978599 /nfs/dbraw/zinc/97/85/99/821978599.db2.gz NARGETYNGYDRHF-CQSZACIVSA-N 1 0 375.494 4.136 20 5 GIBDRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000181842134 822014505 /nfs/dbraw/zinc/01/45/05/822014505.db2.gz WFQLVNQQMVHSTF-AWEZNQCLSA-N 1 0 375.856 4.463 20 5 GIBDRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000181889199 822027962 /nfs/dbraw/zinc/02/79/62/822027962.db2.gz KTYHLKGCSCUHCQ-KRWDZBQOSA-N 1 0 395.381 4.199 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC(C)(C)C ZINC000178093127 822316049 /nfs/dbraw/zinc/31/60/49/822316049.db2.gz FZEKCVYMSQYVPM-QWHCGFSZSA-N 1 0 375.494 4.277 20 5 GIBDRO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453418761 822360157 /nfs/dbraw/zinc/36/01/57/822360157.db2.gz CRHFUQYMBJXMAS-LZWOXQAQSA-N 1 0 385.489 4.127 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000182861115 822381178 /nfs/dbraw/zinc/38/11/78/822381178.db2.gz DCZVYHHBEDYLIU-INIZCTEOSA-N 1 0 388.512 4.061 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647559 822399334 /nfs/dbraw/zinc/39/93/34/822399334.db2.gz XPTROPQMMDFQNL-QGZVFWFLSA-N 1 0 393.443 4.298 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000178682220 822402474 /nfs/dbraw/zinc/40/24/74/822402474.db2.gz SPZWYTNGHOHARV-LSDHHAIUSA-N 1 0 378.432 4.129 20 5 GIBDRO Cc1ccc(Sc2ccc(C(=O)N3CCC([C@H](C)[NH3+])CC3)cc2[N+](=O)[O-])cc1 ZINC000178800941 822411548 /nfs/dbraw/zinc/41/15/48/822411548.db2.gz ZIYOPPAEDISCBU-HNNXBMFYSA-N 1 0 399.516 4.254 20 5 GIBDRO Cc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000183073529 822420634 /nfs/dbraw/zinc/42/06/34/822420634.db2.gz YBZXTAISLBRUEE-QGZVFWFLSA-N 1 0 383.492 4.281 20 5 GIBDRO Cc1c([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cccc1[N+](=O)[O-] ZINC000183077826 822421620 /nfs/dbraw/zinc/42/16/20/822421620.db2.gz TWKADDXYPZIIMC-KRWDZBQOSA-N 1 0 383.492 4.281 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C)cc1[N+](=O)[O-] ZINC000183201382 822440563 /nfs/dbraw/zinc/44/05/63/822440563.db2.gz OLVGTENUMNJGBG-HNNXBMFYSA-N 1 0 380.448 4.338 20 5 GIBDRO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000454320247 822457558 /nfs/dbraw/zinc/45/75/58/822457558.db2.gz RKHSSCDBVFGHNK-SFHVURJKSA-N 1 0 382.464 4.068 20 5 GIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000183593465 822498623 /nfs/dbraw/zinc/49/86/23/822498623.db2.gz MRUNUGYRVUIGJX-KBPBESRZSA-N 1 0 397.431 4.336 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000183613289 822501449 /nfs/dbraw/zinc/50/14/49/822501449.db2.gz VQSKNCOLSQDHAP-VGSWGCGISA-N 1 0 384.476 4.318 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000179563563 822504072 /nfs/dbraw/zinc/50/40/72/822504072.db2.gz YHWIUFWQLMBYFU-LLVKDONJSA-N 1 0 395.818 4.075 20 5 GIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 ZINC000179693637 822528933 /nfs/dbraw/zinc/52/89/33/822528933.db2.gz RTFCANPIGMERTD-QGZVFWFLSA-N 1 0 377.444 4.462 20 5 GIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1OC(F)F ZINC000179718841 822534510 /nfs/dbraw/zinc/53/45/10/822534510.db2.gz AGTFTMUDDUSZOL-HNNXBMFYSA-N 1 0 393.390 4.184 20 5 GIBDRO CC1(O)CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000179725128 822535767 /nfs/dbraw/zinc/53/57/67/822535767.db2.gz MSXXUUMMXJRUQS-UHFFFAOYSA-N 1 0 376.840 4.387 20 5 GIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179725625 822535914 /nfs/dbraw/zinc/53/59/14/822535914.db2.gz FMCRNJJRFLDJOK-CQSZACIVSA-N 1 0 393.390 4.266 20 5 GIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179796680 822554568 /nfs/dbraw/zinc/55/45/68/822554568.db2.gz LVVYKFZFRSQMCX-INIZCTEOSA-N 1 0 377.391 4.251 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000184006835 822562687 /nfs/dbraw/zinc/56/26/87/822562687.db2.gz ISCYAWIWIMGVKN-MRXNPFEDSA-N 1 0 389.455 4.004 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c(Cl)c1 ZINC000184171124 822590349 /nfs/dbraw/zinc/59/03/49/822590349.db2.gz FDDPADQACWOAEP-UHFFFAOYSA-N 1 0 390.802 4.160 20 5 GIBDRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184324990 822615288 /nfs/dbraw/zinc/61/52/88/822615288.db2.gz YHLUBIKFNQGLDN-KGLIPLIRSA-N 1 0 397.431 4.336 20 5 GIBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000184354878 822620893 /nfs/dbraw/zinc/62/08/93/822620893.db2.gz AVTVHPWLXRWOSF-GFCCVEGCSA-N 1 0 385.445 4.107 20 5 GIBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000184521017 822650140 /nfs/dbraw/zinc/65/01/40/822650140.db2.gz WPSPNXMMPHEEPX-BTYIYWSLSA-N 1 0 399.466 4.138 20 5 GIBDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000184664725 822672596 /nfs/dbraw/zinc/67/25/96/822672596.db2.gz IHBDPFYATHWFLH-CQSZACIVSA-N 1 0 375.856 4.372 20 5 GIBDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180411003 822677257 /nfs/dbraw/zinc/67/72/57/822677257.db2.gz XTFYAKNDVABXPS-NRFANRHFSA-N 1 0 381.476 4.462 20 5 GIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180417843 822678180 /nfs/dbraw/zinc/67/81/80/822678180.db2.gz CNIZOXJQLJURLB-HNNXBMFYSA-N 1 0 388.489 4.162 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180417859 822678205 /nfs/dbraw/zinc/67/82/05/822678205.db2.gz CNIZOXJQLJURLB-OAHLLOKOSA-N 1 0 388.489 4.162 20 5 GIBDRO Cn1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(-c2ccccc2)n1 ZINC000180420611 822678688 /nfs/dbraw/zinc/67/86/88/822678688.db2.gz WFTANQUMYNDOME-FQEVSTJZSA-N 1 0 376.460 4.106 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)o2)c(Cl)c1 ZINC000180451947 822684822 /nfs/dbraw/zinc/68/48/22/822684822.db2.gz BRMGVUSDPMTTBS-WMZOPIPTSA-N 1 0 394.880 4.215 20 5 GIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(I)cc1 ZINC000050015592 822713913 /nfs/dbraw/zinc/71/39/13/822713913.db2.gz CSLANVPHYUMMEP-NSHDSACASA-N 1 0 382.201 4.050 20 5 GIBDRO C[NH+](C)Cc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050574376 822733825 /nfs/dbraw/zinc/73/38/25/822733825.db2.gz QVSFCCBKGFYHAW-UHFFFAOYSA-N 1 0 382.445 4.032 20 5 GIBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133518 822747688 /nfs/dbraw/zinc/74/76/88/822747688.db2.gz UKFHDPKXMAMLOG-DYESRHJHSA-N 1 0 398.459 4.061 20 5 GIBDRO Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000455932584 822752211 /nfs/dbraw/zinc/75/22/11/822752211.db2.gz QBRCRDUPIVAMBM-KUHUBIRLSA-N 1 0 382.464 4.335 20 5 GIBDRO CC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000455947637 822756078 /nfs/dbraw/zinc/75/60/78/822756078.db2.gz XPUOHXPHTFCSFA-WOJBJXKFSA-N 1 0 382.464 4.417 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc21 ZINC000455949750 822756543 /nfs/dbraw/zinc/75/65/43/822756543.db2.gz ZAUOXVVASADURD-NRFANRHFSA-N 1 0 394.475 4.340 20 5 GIBDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000185357005 822770699 /nfs/dbraw/zinc/77/06/99/822770699.db2.gz JDWMXBPHCMEWHH-NRFANRHFSA-N 1 0 399.466 4.440 20 5 GIBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000174607996 822811952 /nfs/dbraw/zinc/81/19/52/822811952.db2.gz WMHVJYMWNIOIHZ-OAHLLOKOSA-N 1 0 382.489 4.266 20 5 GIBDRO C[N@H+](CCCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457164352 822858239 /nfs/dbraw/zinc/85/82/39/822858239.db2.gz IXFJXBBBAKFFAI-UHFFFAOYSA-N 1 0 399.516 4.350 20 5 GIBDRO Cc1csc(C2([NH2+]CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCCC2)n1 ZINC000175019147 822868391 /nfs/dbraw/zinc/86/83/91/822868391.db2.gz XBYNBXDMWWMMII-UHFFFAOYSA-N 1 0 388.493 4.056 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186348943 822880014 /nfs/dbraw/zinc/88/00/14/822880014.db2.gz YMDHIAVXQVPMOJ-LJAXSVQBSA-N 1 0 395.503 4.121 20 5 GIBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])ccc2NC1=O ZINC000569378684 822913346 /nfs/dbraw/zinc/91/33/46/822913346.db2.gz YOTPHCIZSIRNLX-GFJSAUFNSA-N 1 0 381.432 4.042 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000055151860 822941016 /nfs/dbraw/zinc/94/10/16/822941016.db2.gz NLLXPNMNSUEPAK-CVEARBPZSA-N 1 0 385.464 4.368 20 5 GIBDRO CC(C)c1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000569829842 822973736 /nfs/dbraw/zinc/97/37/36/822973736.db2.gz PQWPJIAGHUOXEV-UHFFFAOYSA-N 1 0 391.475 4.464 20 5 GIBDRO Cc1cc(OCc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)ccc1[N+](=O)[O-] ZINC000570081759 823004180 /nfs/dbraw/zinc/00/41/80/823004180.db2.gz VHQZSRDIEMMYMP-UHFFFAOYSA-N 1 0 394.431 4.128 20 5 GIBDRO Cc1ccc([C@@H](C)NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000175634791 823010342 /nfs/dbraw/zinc/01/03/42/823010342.db2.gz OFZHZLXKHJIGIM-QGZVFWFLSA-N 1 0 396.491 4.059 20 5 GIBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150972 823010778 /nfs/dbraw/zinc/01/07/78/823010778.db2.gz PKRAPHOPMHUTGA-DVMWJLJYSA-N 1 0 399.491 4.401 20 5 GIBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000187324398 823043754 /nfs/dbraw/zinc/04/37/54/823043754.db2.gz RARFERPVRFKVNV-KRWDZBQOSA-N 1 0 389.883 4.135 20 5 GIBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411172349 823554117 /nfs/dbraw/zinc/55/41/17/823554117.db2.gz HDOMEDDPQMGZNH-INIZCTEOSA-N 1 0 389.477 4.003 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCn2ccnc2)ccc1Oc1ccccc1Cl ZINC000061003057 823572116 /nfs/dbraw/zinc/57/21/16/823572116.db2.gz BIFKKYOYHLPRSJ-UHFFFAOYSA-N 1 0 386.839 4.417 20 5 GIBDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000061733376 823609835 /nfs/dbraw/zinc/60/98/35/823609835.db2.gz MDXMWABXVTYVHU-FQEVSTJZSA-N 1 0 382.464 4.170 20 5 GIBDRO CO[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190951929 823629433 /nfs/dbraw/zinc/62/94/33/823629433.db2.gz FWSMKBANHQPCSL-RXVVDRJESA-N 1 0 392.459 4.105 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2csc(Br)c2)C2CC2)c1 ZINC000125222704 823660254 /nfs/dbraw/zinc/66/02/54/823660254.db2.gz NGEJVGVIRZYVJT-HNNXBMFYSA-N 1 0 397.294 4.117 20 5 GIBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000125452748 823677407 /nfs/dbraw/zinc/67/74/07/823677407.db2.gz JHZAKUSZEYZKAT-INIZCTEOSA-N 1 0 389.883 4.424 20 5 GIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-n2cc(Cl)cn2)n1 ZINC000191528249 823695746 /nfs/dbraw/zinc/69/57/46/823695746.db2.gz FNEOKIJUHKLTEF-AWEZNQCLSA-N 1 0 385.855 4.297 20 5 GIBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413205405 823727661 /nfs/dbraw/zinc/72/76/61/823727661.db2.gz OYJXYSQJSAXMPM-OAHLLOKOSA-N 1 0 377.448 4.176 20 5 GIBDRO CCC[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000163725404 823742022 /nfs/dbraw/zinc/74/20/22/823742022.db2.gz IOJFREOIYAEBFJ-JOCHJYFZSA-N 1 0 383.492 4.058 20 5 GIBDRO Cc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000461942946 823767161 /nfs/dbraw/zinc/76/71/61/823767161.db2.gz DWINLSRKPOOMMH-INIZCTEOSA-N 1 0 387.455 4.354 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000126058983 823777422 /nfs/dbraw/zinc/77/74/22/823777422.db2.gz WKYFMBSUYITEHE-MRXNPFEDSA-N 1 0 377.238 4.361 20 5 GIBDRO COc1cc(N2CC[NH+](Cc3cccc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000462099588 823827570 /nfs/dbraw/zinc/82/75/70/823827570.db2.gz YQSBZGZRNQJBEK-UHFFFAOYSA-N 1 0 377.444 4.079 20 5 GIBDRO CSc1nnc(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1CC(C)C ZINC000165660240 823857424 /nfs/dbraw/zinc/85/74/24/823857424.db2.gz SKIUHVSSQAKNJB-HNNXBMFYSA-N 1 0 391.541 4.156 20 5 GIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000165683843 823858456 /nfs/dbraw/zinc/85/84/56/823858456.db2.gz YLSMJVPTGIJGMX-LPHOPBHVSA-N 1 0 399.491 4.172 20 5 GIBDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000126420885 823862343 /nfs/dbraw/zinc/86/23/43/823862343.db2.gz XRIGNAHCWDKUPX-HXUWFJFHSA-N 1 0 382.416 4.029 20 5 GIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(OC[C@H]2CCOC2)c1 ZINC000167191915 823888228 /nfs/dbraw/zinc/88/82/28/823888228.db2.gz HVPYWDSMCQXDJF-ROUUACIJSA-N 1 0 384.476 4.478 20 5 GIBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000575158815 823926747 /nfs/dbraw/zinc/92/67/47/823926747.db2.gz GICXPQVODSBTIO-BETUJISGSA-N 1 0 384.358 4.198 20 5 GIBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000126790273 823951860 /nfs/dbraw/zinc/95/18/60/823951860.db2.gz SGIKMYJQGLERHN-INIZCTEOSA-N 1 0 399.491 4.228 20 5 GIBDRO COCC[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414482034 823992390 /nfs/dbraw/zinc/99/23/90/823992390.db2.gz MFGLCVDSMRVQKZ-QGZVFWFLSA-N 1 0 394.475 4.210 20 5 GIBDRO CC(C)CCOC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000170913032 824004236 /nfs/dbraw/zinc/00/42/36/824004236.db2.gz YLAMBKOZWVVPPI-UHFFFAOYSA-N 1 0 387.480 4.319 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000575887564 824020436 /nfs/dbraw/zinc/02/04/36/824020436.db2.gz AWNSWQHIPKCZCK-AWEZNQCLSA-N 1 0 396.896 4.071 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+](CC4CC4)CC3)o2)c(Cl)c1 ZINC000171050204 824047724 /nfs/dbraw/zinc/04/77/24/824047724.db2.gz DIFLMRXYCUYAHY-UHFFFAOYSA-N 1 0 389.883 4.472 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(CO)c(F)c3)o2)c(Cl)c1 ZINC000171051054 824048123 /nfs/dbraw/zinc/04/81/23/824048123.db2.gz XRPNYJQTRLBGLQ-UHFFFAOYSA-N 1 0 390.798 4.429 20 5 GIBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414937607 824052008 /nfs/dbraw/zinc/05/20/08/824052008.db2.gz HWEOIIKKTAQMAH-BBRMVZONSA-N 1 0 375.856 4.128 20 5 GIBDRO C[C@H]1C[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414944234 824052720 /nfs/dbraw/zinc/05/27/20/824052720.db2.gz GJDDOMIHDANGBX-ZFWWWQNUSA-N 1 0 375.856 4.271 20 5 GIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628846 719087751 /nfs/dbraw/zinc/08/77/51/719087751.db2.gz OZRJUPGEBXPOGF-KNQAVFIVSA-N 1 0 388.471 4.244 20 5 GIBDRO Cc1ccc(-c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)cc1[N+](=O)[O-] ZINC001165050115 721973914 /nfs/dbraw/zinc/97/39/14/721973914.db2.gz UKVPDBZBPBMUBD-IBGZPJMESA-N 1 0 395.507 4.205 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995293 722192588 /nfs/dbraw/zinc/19/25/88/722192588.db2.gz UAHUKXOZEAXLDC-LJQANCHMSA-N 1 0 390.846 4.027 20 5 GIBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000175864351 823058501 /nfs/dbraw/zinc/05/85/01/823058501.db2.gz KZYPCTQQAFUXNO-KNPMLNIMSA-N 1 0 392.546 4.493 20 5 GIBDRO CC(C)(CO)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000570585770 823057856 /nfs/dbraw/zinc/05/78/56/823057856.db2.gz NRGFCINSXWRANM-QGZVFWFLSA-N 1 0 382.382 4.463 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000056163517 823093764 /nfs/dbraw/zinc/09/37/64/823093764.db2.gz QMIFOMPIZOURMZ-HOTGVXAUSA-N 1 0 385.464 4.368 20 5 GIBDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000120995106 823099346 /nfs/dbraw/zinc/09/93/46/823099346.db2.gz RZTRRIGQBPRJGE-GJZGRUSLSA-N 1 0 376.478 4.170 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056197298 823101051 /nfs/dbraw/zinc/10/10/51/823101051.db2.gz MGWVANTWDFABEV-NEPJUHHUSA-N 1 0 381.354 4.291 20 5 GIBDRO C[NH+]1CCC(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000121196243 823136638 /nfs/dbraw/zinc/13/66/38/823136638.db2.gz AJQJJBFFTVGDCE-UHFFFAOYSA-N 1 0 375.856 4.224 20 5 GIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000188067725 823181343 /nfs/dbraw/zinc/18/13/43/823181343.db2.gz ZILCHTKIEBACBO-UHFFFAOYSA-N 1 0 387.505 4.089 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459468888 823198857 /nfs/dbraw/zinc/19/88/57/823198857.db2.gz SAMILVCPTNSNDM-UHFFFAOYSA-N 1 0 377.448 4.258 20 5 GIBDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]CCn3cncn3)cc2[N+](=O)[O-])cc1 ZINC000409527429 823241685 /nfs/dbraw/zinc/24/16/85/823241685.db2.gz GSOKKHCBSKCFQW-UHFFFAOYSA-N 1 0 395.463 4.066 20 5 GIBDRO CC[NH+](CC)Cc1ccc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc1 ZINC000571840282 823243049 /nfs/dbraw/zinc/24/30/49/823243049.db2.gz SBDFCYILTCWYLP-UHFFFAOYSA-N 1 0 380.448 4.386 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](O)[C@H](C4CCCC4)C3)cs2)c1 ZINC000459771164 823262940 /nfs/dbraw/zinc/26/29/40/823262940.db2.gz SSYBGDTVIVOXLU-RBUKOAKNSA-N 1 0 387.505 4.091 20 5 GIBDRO C[C@@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176721380 823276823 /nfs/dbraw/zinc/27/68/23/823276823.db2.gz PGOJZBCDNVQPFH-GDBMZVCRSA-N 1 0 387.867 4.031 20 5 GIBDRO C[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176721853 823276846 /nfs/dbraw/zinc/27/68/46/823276846.db2.gz OPHUTRDLRDTPQK-GDBMZVCRSA-N 1 0 387.867 4.031 20 5 GIBDRO C[C@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176721422 823276887 /nfs/dbraw/zinc/27/68/87/823276887.db2.gz PGOJZBCDNVQPFH-HOCLYGCPSA-N 1 0 387.867 4.031 20 5 GIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000007945585 817966436 /nfs/dbraw/zinc/96/64/36/817966436.db2.gz FFTPUFZQOFEJJZ-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000011101242 818051967 /nfs/dbraw/zinc/05/19/67/818051967.db2.gz ATDACKOINAQPTR-YJYMSZOUSA-N 1 0 389.427 4.056 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)ccc1Oc1ccccc1Cl ZINC000188816233 823312092 /nfs/dbraw/zinc/31/20/92/823312092.db2.gz XFVCADKQVRQNOP-UKRRQHHQSA-N 1 0 376.840 4.291 20 5 GIBDRO CC(C)CCSc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000058298881 823376211 /nfs/dbraw/zinc/37/62/11/823376211.db2.gz KPJDCDMJEWWTND-IRXDYDNUSA-N 1 0 391.537 4.090 20 5 GIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023738928 818977403 /nfs/dbraw/zinc/97/74/03/818977403.db2.gz JLIRZHCBBNGUSN-JXFKEZNVSA-N 1 0 399.516 4.029 20 5 GIBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000177242247 823407990 /nfs/dbraw/zinc/40/79/90/823407990.db2.gz IRYXERAITBASIW-UHFFFAOYSA-N 1 0 387.505 4.336 20 5 GIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000177301233 823426544 /nfs/dbraw/zinc/42/65/44/823426544.db2.gz CVDYNQXBCUJJBM-UHFFFAOYSA-N 1 0 381.354 4.236 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)o1 ZINC000189608963 823457559 /nfs/dbraw/zinc/45/75/59/823457559.db2.gz RZHKLMDTHSKIFH-FZKQIMNGSA-N 1 0 398.381 4.428 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000189629166 823462433 /nfs/dbraw/zinc/46/24/33/823462433.db2.gz ADBBNQJYFCMWKY-KBXCAEBGSA-N 1 0 398.381 4.428 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1ccccc1 ZINC000177475452 823471155 /nfs/dbraw/zinc/47/11/55/823471155.db2.gz KNNMKGOHEDGQKB-MCIONIFRSA-N 1 0 375.856 4.357 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177475479 823470977 /nfs/dbraw/zinc/47/09/77/823470977.db2.gz KNNMKGOHEDGQKB-RDBSUJKOSA-N 1 0 375.856 4.357 20 5 GIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029178346 820406975 /nfs/dbraw/zinc/40/69/75/820406975.db2.gz OTKMGHCECQBOHG-JXFKEZNVSA-N 1 0 399.516 4.029 20 5 GIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000059057285 823484961 /nfs/dbraw/zinc/48/49/61/823484961.db2.gz VXACSBZPQWOPIK-GJZGRUSLSA-N 1 0 387.505 4.064 20 5 GIBDRO CNC(=O)c1cccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000123549699 823520175 /nfs/dbraw/zinc/52/01/75/823520175.db2.gz DULSNHFDDZPCFU-UHFFFAOYSA-N 1 0 395.484 4.015 20 5 GIBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000123748875 823537005 /nfs/dbraw/zinc/53/70/05/823537005.db2.gz LMEIFGNPAMRCDL-OAHLLOKOSA-N 1 0 391.537 4.043 20 5 GIBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543871 823540308 /nfs/dbraw/zinc/54/03/08/823540308.db2.gz UJMSIQXWDBNKSO-FXAWDEMLSA-N 1 0 381.476 4.201 20 5 GIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000043303829 821388879 /nfs/dbraw/zinc/38/88/79/821388879.db2.gz YJWQNEVHVAIURH-IBGZPJMESA-N 1 0 399.834 4.353 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000180759500 821438827 /nfs/dbraw/zinc/43/88/27/821438827.db2.gz DENYXVHDAPBIQK-UHFFFAOYSA-N 1 0 381.904 4.222 20 5 GIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000043841074 821469598 /nfs/dbraw/zinc/46/95/98/821469598.db2.gz NQESSEXYTBAYBU-UHFFFAOYSA-N 1 0 382.464 4.263 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000180898255 821523120 /nfs/dbraw/zinc/52/31/20/821523120.db2.gz GDRFXNLVMRDVBZ-INIZCTEOSA-N 1 0 390.443 4.336 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000180924931 821541126 /nfs/dbraw/zinc/54/11/26/821541126.db2.gz COCJXKIVBRHKKR-HZPDHXFCSA-N 1 0 390.443 4.335 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)C1CC1 ZINC000181007275 821589333 /nfs/dbraw/zinc/58/93/33/821589333.db2.gz IFPIPKQPFZCXAP-GOSISDBHSA-N 1 0 394.500 4.267 20 5 GIBDRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181060471 821614350 /nfs/dbraw/zinc/61/43/50/821614350.db2.gz ZFLVHLVTHXQLKL-JOCHJYFZSA-N 1 0 378.476 4.257 20 5 GIBDRO Cc1cc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000044877542 821676454 /nfs/dbraw/zinc/67/64/54/821676454.db2.gz LTPBPORKMBOCDJ-MRXNPFEDSA-N 1 0 381.476 4.065 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181388564 821800412 /nfs/dbraw/zinc/80/04/12/821800412.db2.gz MZZCHBWWZGRFPZ-YVEFUNNKSA-N 1 0 379.254 4.050 20 5 GIBDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181444727 821828982 /nfs/dbraw/zinc/82/89/82/821828982.db2.gz KXDKQDJVEWQHFF-LLVKDONJSA-N 1 0 391.884 4.227 20 5 GIBDRO COC1(C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOCC1 ZINC000181548602 821876654 /nfs/dbraw/zinc/87/66/54/821876654.db2.gz GXPQUFGCKGGODE-CQSZACIVSA-N 1 0 376.478 4.170 20 5 GIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000181609142 821901733 /nfs/dbraw/zinc/90/17/33/821901733.db2.gz JQDSKEXQBYIUOE-QGZVFWFLSA-N 1 0 384.476 4.450 20 5 GIBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000182092133 822090137 /nfs/dbraw/zinc/09/01/37/822090137.db2.gz LZVBFYISLCAODQ-INIZCTEOSA-N 1 0 380.448 4.043 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000182469489 822255413 /nfs/dbraw/zinc/25/54/13/822255413.db2.gz VVVYEGFESHFQON-LBPRGKRZSA-N 1 0 381.354 4.293 20 5 GIBDRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182651398 822339286 /nfs/dbraw/zinc/33/92/86/822339286.db2.gz PSNFZVAWEHMYOF-OAHLLOKOSA-N 1 0 385.439 4.462 20 5 GIBDRO CCOc1ccc(C2(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000178649801 822399346 /nfs/dbraw/zinc/39/93/46/822399346.db2.gz ZWIFHZZMELMLEX-QGZVFWFLSA-N 1 0 384.476 4.393 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178652088 822399589 /nfs/dbraw/zinc/39/95/89/822399589.db2.gz FLXQHMMVSQLIGA-OAHLLOKOSA-N 1 0 376.416 4.093 20 5 GIBDRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178683136 822402709 /nfs/dbraw/zinc/40/27/09/822402709.db2.gz UWLQFXRYWSFBSV-OLZOCXBDSA-N 1 0 391.855 4.243 20 5 GIBDRO COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000046156338 822445588 /nfs/dbraw/zinc/44/55/88/822445588.db2.gz CMISKCBSRKADAO-OAHLLOKOSA-N 1 0 383.448 4.088 20 5 GIBDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000179391850 822476048 /nfs/dbraw/zinc/47/60/48/822476048.db2.gz YBQZJCYOIVFZKT-UHFFFAOYSA-N 1 0 399.491 4.325 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000179409051 822478689 /nfs/dbraw/zinc/47/86/89/822478689.db2.gz CKPKZZKEBKNETM-HUUCEWRRSA-N 1 0 399.447 4.362 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000179599567 822510252 /nfs/dbraw/zinc/51/02/52/822510252.db2.gz PAVBSYRIOXCZCI-ZFWWWQNUSA-N 1 0 376.482 4.064 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000179611874 822512668 /nfs/dbraw/zinc/51/26/68/822512668.db2.gz BVPCOQIEMGVSSY-ZDUSSCGKSA-N 1 0 393.390 4.184 20 5 GIBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000183782702 822527892 /nfs/dbraw/zinc/52/78/92/822527892.db2.gz IURQYUJFMQCICB-LLVKDONJSA-N 1 0 395.818 4.075 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[N@@H+](C4CCCC4)CC3)cs2)c1 ZINC000179768900 822548673 /nfs/dbraw/zinc/54/86/73/822548673.db2.gz MANFUEXCPNTLBU-UHFFFAOYSA-N 1 0 386.521 4.169 20 5 GIBDRO CC(C)[NH2+]C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000179831674 822562305 /nfs/dbraw/zinc/56/23/05/822562305.db2.gz ZPDRGIONJVAFJE-UHFFFAOYSA-N 1 0 377.872 4.471 20 5 GIBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000179918424 822576830 /nfs/dbraw/zinc/57/68/30/822576830.db2.gz OXFQFKBPXOOYET-UHFFFAOYSA-N 1 0 387.505 4.062 20 5 GIBDRO Cc1c([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cccc1[N+](=O)[O-] ZINC000184095933 822577169 /nfs/dbraw/zinc/57/71/69/822577169.db2.gz AVHMCRHZWZRYNS-AWEZNQCLSA-N 1 0 384.411 4.376 20 5 GIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])cc1F ZINC000184310486 822612377 /nfs/dbraw/zinc/61/23/77/822612377.db2.gz PASQAJCTCKCHDC-ZDUSSCGKSA-N 1 0 384.411 4.087 20 5 GIBDRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180433280 822680938 /nfs/dbraw/zinc/68/09/38/822680938.db2.gz PKZMYHZESIBCTL-IIBYNOLFSA-N 1 0 397.475 4.008 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](CCO)c2ccccc2)c2ccccc2)c1 ZINC000180607364 822711168 /nfs/dbraw/zinc/71/11/68/822711168.db2.gz XPNYGQSUBOZDPE-GMAHTHKFSA-N 1 0 376.456 4.440 20 5 GIBDRO CC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000455947635 822756064 /nfs/dbraw/zinc/75/60/64/822756064.db2.gz XPUOHXPHTFCSFA-UXHICEINSA-N 1 0 382.464 4.417 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOC3CCOCC3)o2)c(Cl)c1 ZINC000174462517 822793374 /nfs/dbraw/zinc/79/33/74/822793374.db2.gz IGBGQVHGXGZASF-UHFFFAOYSA-N 1 0 394.855 4.184 20 5 GIBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000174516801 822799948 /nfs/dbraw/zinc/79/99/48/822799948.db2.gz UAYFANTWPCIVIH-MRXNPFEDSA-N 1 0 393.553 4.147 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)o1 ZINC000185702071 822811635 /nfs/dbraw/zinc/81/16/35/822811635.db2.gz KMWZAHLPFJBYLL-UHFFFAOYSA-N 1 0 393.443 4.170 20 5 GIBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000185828754 822825034 /nfs/dbraw/zinc/82/50/34/822825034.db2.gz KCDSLTHABXBEAU-QAVQXKDTSA-N 1 0 395.253 4.034 20 5 GIBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000185844594 822826852 /nfs/dbraw/zinc/82/68/52/822826852.db2.gz JCDUXDASABEQSB-HUUCEWRRSA-N 1 0 387.455 4.083 20 5 GIBDRO CCC[C@H]([NH2+]C[C@]1(COC)OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569055403 822874639 /nfs/dbraw/zinc/87/46/39/822874639.db2.gz DWVPGJFRUHXJIC-FCHUYYIVSA-N 1 0 384.476 4.140 20 5 GIBDRO CCC[C@@H]([NH2+]C[C@]1(COC)OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569055404 822874706 /nfs/dbraw/zinc/87/47/06/822874706.db2.gz DWVPGJFRUHXJIC-FGZHOGPDSA-N 1 0 384.476 4.140 20 5 GIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186848035 822967062 /nfs/dbraw/zinc/96/70/62/822967062.db2.gz AIPYNZNMBMXTKG-CXAGYDPISA-N 1 0 395.381 4.248 20 5 GIBDRO CSc1cccc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1[N+](=O)[O-] ZINC000186864657 822970726 /nfs/dbraw/zinc/97/07/26/822970726.db2.gz ONLBRWXZQYSWON-UHFFFAOYSA-N 1 0 385.489 4.473 20 5 GIBDRO COc1cccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1OC(C)C ZINC000569959764 822990289 /nfs/dbraw/zinc/99/02/89/822990289.db2.gz LQGVPEBOMAXCFY-UHFFFAOYSA-N 1 0 383.448 4.204 20 5 GIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000570292427 823023140 /nfs/dbraw/zinc/02/31/40/823023140.db2.gz OUCSCPMGGUMZJY-DJJJIMSYSA-N 1 0 380.448 4.217 20 5 GIBDRO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC(C)(C)C1 ZINC000570326634 823026125 /nfs/dbraw/zinc/02/61/25/823026125.db2.gz WBBNLNRPPGVYNI-KRWDZBQOSA-N 1 0 375.494 4.498 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(CCO)CCCCC3)cs2)c1 ZINC000175800572 823043510 /nfs/dbraw/zinc/04/35/10/823043510.db2.gz GOMKRWCLEPVTSM-UHFFFAOYSA-N 1 0 375.494 4.141 20 5 GIBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000190197152 823549637 /nfs/dbraw/zinc/54/96/37/823549637.db2.gz RZUZTCCTXAWTHN-OAHLLOKOSA-N 1 0 387.402 4.142 20 5 GIBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000124144896 823571577 /nfs/dbraw/zinc/57/15/77/823571577.db2.gz XKYGUOVPFVPMAT-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411448811 823575513 /nfs/dbraw/zinc/57/55/13/823575513.db2.gz FOJASPRVMBKPTK-OAHLLOKOSA-N 1 0 381.354 4.207 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000411476338 823579288 /nfs/dbraw/zinc/57/92/88/823579288.db2.gz PSWPRRWSDGNJIU-LBPRGKRZSA-N 1 0 379.819 4.375 20 5 GIBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411929222 823614782 /nfs/dbraw/zinc/61/47/82/823614782.db2.gz DJTYKMIEJWLICL-UHFFFAOYSA-N 1 0 399.491 4.106 20 5 GIBDRO CCOc1ccc([C@@H](C)N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000124858239 823631553 /nfs/dbraw/zinc/63/15/53/823631553.db2.gz ZMMADBBFDJMPBY-KGLIPLIRSA-N 1 0 382.420 4.455 20 5 GIBDRO COc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000063484286 823675593 /nfs/dbraw/zinc/67/55/93/823675593.db2.gz JSWAARJGVGUZJA-FQEVSTJZSA-N 1 0 383.448 4.078 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191397986 823680557 /nfs/dbraw/zinc/68/05/57/823680557.db2.gz RENLFRCEMSARSJ-LJQANCHMSA-N 1 0 396.491 4.197 20 5 GIBDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000461711780 823685754 /nfs/dbraw/zinc/68/57/54/823685754.db2.gz YGCDBVNXYDRNFB-OAQYLSRUSA-N 1 0 397.500 4.078 20 5 GIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413179373 823722024 /nfs/dbraw/zinc/72/20/24/823722024.db2.gz IMAZNDKLLLXIIP-RBUKOAKNSA-N 1 0 397.475 4.058 20 5 GIBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2cccnc21 ZINC000413256973 823739913 /nfs/dbraw/zinc/73/99/13/823739913.db2.gz AFUIKELDQZZCOP-UHFFFAOYSA-N 1 0 394.397 4.360 20 5 GIBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000574765141 823821411 /nfs/dbraw/zinc/82/14/11/823821411.db2.gz FSPYCVXVUJHPEL-UHFFFAOYSA-N 1 0 399.516 4.208 20 5 GIBDRO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1OC(F)F ZINC000462089574 823824888 /nfs/dbraw/zinc/82/48/88/823824888.db2.gz BKZDKAMTRQKODW-INIZCTEOSA-N 1 0 377.391 4.445 20 5 GIBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1F ZINC000192085955 823855011 /nfs/dbraw/zinc/85/50/11/823855011.db2.gz GRBVFJXEHSLSTL-MAUKXSAKSA-N 1 0 398.793 4.155 20 5 GIBDRO Cc1cc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc([N+](=O)[O-])c1 ZINC000126471055 823876691 /nfs/dbraw/zinc/87/66/91/823876691.db2.gz UPRMRYBVDFSZPD-UHFFFAOYSA-N 1 0 385.489 4.013 20 5 GIBDRO CC1(C)C[C@@H]([NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000414165862 823921763 /nfs/dbraw/zinc/92/17/63/823921763.db2.gz CXASLNGLSKIDAM-UWWQBHOKSA-N 1 0 388.489 4.242 20 5 GIBDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414211852 823929518 /nfs/dbraw/zinc/92/95/18/823929518.db2.gz PMDBYCXNYHKAAO-ZDUSSCGKSA-N 1 0 396.896 4.201 20 5 GIBDRO O=[N+]([O-])c1cc(CNC[C@H]2CCC[NH2+]C2)ccc1Oc1ccccc1Cl ZINC000414831119 824040506 /nfs/dbraw/zinc/04/05/06/824040506.db2.gz POGXGXVGBFKXMG-HNNXBMFYSA-N 1 0 375.856 4.130 20 5 GIBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414922585 824050668 /nfs/dbraw/zinc/05/06/68/824050668.db2.gz GETWUNRVBHKODD-LJQANCHMSA-N 1 0 380.473 4.468 20 5 GIBDRO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000120995556 823099333 /nfs/dbraw/zinc/09/93/33/823099333.db2.gz RZTRRIGQBPRJGE-HUUCEWRRSA-N 1 0 376.478 4.170 20 5 GIBDRO Cc1cccnc1[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000120997156 823099888 /nfs/dbraw/zinc/09/98/88/823099888.db2.gz IXCXKMIZCBFJQJ-HXUWFJFHSA-N 1 0 380.448 4.483 20 5 GIBDRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000571023084 823121750 /nfs/dbraw/zinc/12/17/50/823121750.db2.gz IWTQCJJWARJKGO-KRWDZBQOSA-N 1 0 381.476 4.001 20 5 GIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(Br)s1 ZINC000571084680 823129593 /nfs/dbraw/zinc/12/95/93/823129593.db2.gz XVKFWALMQISIQI-VIFPVBQESA-N 1 0 395.282 4.188 20 5 GIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccnn1-c1ccccc1 ZINC000571359220 823170407 /nfs/dbraw/zinc/17/04/07/823170407.db2.gz MHRZLYXOCNJAPV-OAHLLOKOSA-N 1 0 375.432 4.155 20 5 GIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c([N+](=O)[O-])cc1F ZINC000459529724 823212813 /nfs/dbraw/zinc/21/28/13/823212813.db2.gz CRXRQFCSBVHARP-HXUWFJFHSA-N 1 0 388.439 4.126 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](c3ccco3)N3CCCC3)o2)c1 ZINC000409462265 823225174 /nfs/dbraw/zinc/22/51/74/823225174.db2.gz DJCUPJMRDNNMLS-IBGZPJMESA-N 1 0 381.432 4.375 20 5 GIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000571746696 823228934 /nfs/dbraw/zinc/22/89/34/823228934.db2.gz QOJMSROZUPGRKU-HOTGVXAUSA-N 1 0 398.385 4.006 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)c(NC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000121734422 823239659 /nfs/dbraw/zinc/23/96/59/823239659.db2.gz ZDLOVOKDYMOSIA-UHFFFAOYSA-N 1 0 381.263 4.373 20 5 GIBDRO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571942018 823258012 /nfs/dbraw/zinc/25/80/12/823258012.db2.gz NANIHSHJFPZELU-BRIRTLKKSA-N 1 0 393.487 4.010 20 5 GIBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176723328 823277524 /nfs/dbraw/zinc/27/75/24/823277524.db2.gz QHDQUAHPFXGEGE-GOEBONIOSA-N 1 0 387.867 4.031 20 5 GIBDRO C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000011046318 818047154 /nfs/dbraw/zinc/04/71/54/818047154.db2.gz ANZVXQNJTSISQK-QGZVFWFLSA-N 1 0 389.455 4.344 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000011708064 818110796 /nfs/dbraw/zinc/11/07/96/818110796.db2.gz QEAPTIWSCOXLCJ-QWHCGFSZSA-N 1 0 391.855 4.325 20 5 GIBDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015499717 818330770 /nfs/dbraw/zinc/33/07/70/818330770.db2.gz DHSYQDXQWLXUSP-QWHCGFSZSA-N 1 0 391.855 4.243 20 5 GIBDRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409865329 823329859 /nfs/dbraw/zinc/32/98/59/823329859.db2.gz RMWDDEPARKPHDF-ZDUSSCGKSA-N 1 0 384.461 4.226 20 5 GIBDRO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016483780 818448327 /nfs/dbraw/zinc/44/83/27/818448327.db2.gz KBYDWTQFDLAXJJ-MRXNPFEDSA-N 1 0 375.428 4.301 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1SC ZINC000409903173 823340242 /nfs/dbraw/zinc/34/02/42/823340242.db2.gz ZEEVJQVYTGIVJO-OLZOCXBDSA-N 1 0 389.477 4.003 20 5 GIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000018138910 818550444 /nfs/dbraw/zinc/55/04/44/818550444.db2.gz DHMGUCJYGGDZMM-UHFFFAOYSA-N 1 0 392.550 4.197 20 5 GIBDRO O=C(Nc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)C1CCC1 ZINC000122408127 823350082 /nfs/dbraw/zinc/35/00/82/823350082.db2.gz VXHCAXDFTZYPSX-NRFANRHFSA-N 1 0 393.487 4.444 20 5 GIBDRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000122493633 823362984 /nfs/dbraw/zinc/36/29/84/823362984.db2.gz OSBJLDDVUXWOEV-UHFFFAOYSA-N 1 0 382.464 4.021 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000058520769 823403262 /nfs/dbraw/zinc/40/32/62/823403262.db2.gz INVFAOYHIDQVMO-MRXNPFEDSA-N 1 0 396.491 4.457 20 5 GIBDRO C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000024809911 819880565 /nfs/dbraw/zinc/88/05/65/819880565.db2.gz HSYYJDVYEFRESA-MRXNPFEDSA-N 1 0 396.491 4.145 20 5 GIBDRO C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025216204 819943955 /nfs/dbraw/zinc/94/39/55/819943955.db2.gz XWJOAJLMFLFZQE-RISCZKNCSA-N 1 0 391.880 4.402 20 5 GIBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000026250360 820074815 /nfs/dbraw/zinc/07/48/15/820074815.db2.gz KGQZANZGYDBFEU-UHFFFAOYSA-N 1 0 393.443 4.217 20 5 GIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000028163593 820314428 /nfs/dbraw/zinc/31/44/28/820314428.db2.gz PUOLODDZTSGFJR-UHFFFAOYSA-N 1 0 380.448 4.017 20 5 GIBDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123175207 823474224 /nfs/dbraw/zinc/47/42/24/823474224.db2.gz PVWYNJOIJGPDGQ-CYBMUJFWSA-N 1 0 395.381 4.163 20 5 GIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029178348 820406916 /nfs/dbraw/zinc/40/69/16/820406916.db2.gz OTKMGHCECQBOHG-OXJNMPFZSA-N 1 0 399.516 4.029 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(C)s1)C(C)C ZINC000060041971 823505801 /nfs/dbraw/zinc/50/58/01/823505801.db2.gz CKAGSBFYNHYKLU-UHFFFAOYSA-N 1 0 391.493 4.213 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CCO)CC2)ccc1Oc1ccccc1Cl ZINC000189997455 823523744 /nfs/dbraw/zinc/52/37/44/823523744.db2.gz OERIBZQYURSVQS-UHFFFAOYSA-N 1 0 376.840 4.293 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000177875385 823539767 /nfs/dbraw/zinc/53/97/67/823539767.db2.gz AZXFSHGPQKGXDY-QGZVFWFLSA-N 1 0 381.476 4.380 20 5 GIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2ccccc2)c1 ZINC000180748539 821432406 /nfs/dbraw/zinc/43/24/06/821432406.db2.gz RZZMIBCNAINKJQ-RXVVDRJESA-N 1 0 392.434 4.087 20 5 GIBDRO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180781670 821454665 /nfs/dbraw/zinc/45/46/65/821454665.db2.gz CJSRICZYHQRTTR-RBBKRZOGSA-N 1 0 393.487 4.065 20 5 GIBDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180993224 821580260 /nfs/dbraw/zinc/58/02/60/821580260.db2.gz FQPWJMJVLHJAQL-HUUCEWRRSA-N 1 0 395.463 4.032 20 5 GIBDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180993205 821580536 /nfs/dbraw/zinc/58/05/36/821580536.db2.gz FQPWJMJVLHJAQL-GJZGRUSLSA-N 1 0 395.463 4.032 20 5 GIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181119671 821644821 /nfs/dbraw/zinc/64/48/21/821644821.db2.gz RDGTUDRZTYVAEO-HWKANZROSA-N 1 0 380.370 4.160 20 5 GIBDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000181233626 821710334 /nfs/dbraw/zinc/71/03/34/821710334.db2.gz CKUOFUXQPMEFCA-CQSZACIVSA-N 1 0 387.505 4.280 20 5 GIBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000181274936 821728256 /nfs/dbraw/zinc/72/82/56/821728256.db2.gz AGRSKLHLTWTMCW-LBPRGKRZSA-N 1 0 375.812 4.056 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000181467767 821839835 /nfs/dbraw/zinc/83/98/35/821839835.db2.gz DGWHGCKKNSJSPD-INIZCTEOSA-N 1 0 391.537 4.043 20 5 GIBDRO CC(C)(CO)[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000181553787 821878577 /nfs/dbraw/zinc/87/85/77/821878577.db2.gz JYKLOSIUFBNCNX-NHCUHLMSSA-N 1 0 382.504 4.308 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000181832127 822010850 /nfs/dbraw/zinc/01/08/50/822010850.db2.gz UVWKHZPFJPQTHO-GFCCVEGCSA-N 1 0 381.354 4.211 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000181839791 822013810 /nfs/dbraw/zinc/01/38/10/822013810.db2.gz LDQYVXWLMWBSBG-KBPBESRZSA-N 1 0 375.856 4.085 20 5 GIBDRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000181842113 822014609 /nfs/dbraw/zinc/01/46/09/822014609.db2.gz WFQLVNQQMVHSTF-CQSZACIVSA-N 1 0 375.856 4.463 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000182160856 822124087 /nfs/dbraw/zinc/12/40/87/822124087.db2.gz GPUVYYFUWGGACV-CYFODOTGSA-N 1 0 392.402 4.453 20 5 GIBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453418762 822360137 /nfs/dbraw/zinc/36/01/37/822360137.db2.gz CRHFUQYMBJXMAS-OFQRWUPVSA-N 1 0 385.489 4.127 20 5 GIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182826664 822373714 /nfs/dbraw/zinc/37/37/14/822373714.db2.gz OLSSSFBSNQUGAB-HXUWFJFHSA-N 1 0 392.402 4.488 20 5 GIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182826644 822373726 /nfs/dbraw/zinc/37/37/26/822373726.db2.gz OLSSSFBSNQUGAB-FQEVSTJZSA-N 1 0 392.402 4.488 20 5 GIBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000453623282 822394747 /nfs/dbraw/zinc/39/47/47/822394747.db2.gz JJWUOGVUWFXPBJ-SFHVURJKSA-N 1 0 397.500 4.028 20 5 GIBDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178648452 822399447 /nfs/dbraw/zinc/39/94/47/822399447.db2.gz BLCYYGRCXZIPHC-OAHLLOKOSA-N 1 0 376.416 4.093 20 5 GIBDRO CSc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)[NH+](C)C)cc1 ZINC000454140966 822432830 /nfs/dbraw/zinc/43/28/30/822432830.db2.gz FVNYYYLULUDJPU-SFHVURJKSA-N 1 0 388.493 4.050 20 5 GIBDRO CSc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)[NH+](C)C)cc1 ZINC000454193135 822437410 /nfs/dbraw/zinc/43/74/10/822437410.db2.gz CITQJKLCDQUGFL-SFHVURJKSA-N 1 0 388.493 4.050 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000179395326 822476629 /nfs/dbraw/zinc/47/66/29/822476629.db2.gz MFMJTJAWKGHSAY-OAHLLOKOSA-N 1 0 385.464 4.439 20 5 GIBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCCO1 ZINC000179398179 822476822 /nfs/dbraw/zinc/47/68/22/822476822.db2.gz XTBHBRMJGZVFOS-GFCCVEGCSA-N 1 0 395.253 4.228 20 5 GIBDRO Cc1csc([C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)n1 ZINC000183506482 822487389 /nfs/dbraw/zinc/48/73/89/822487389.db2.gz PYPSHIOGPCQAHA-GOSISDBHSA-N 1 0 384.461 4.298 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000179501404 822492276 /nfs/dbraw/zinc/49/22/76/822492276.db2.gz DSPKBDGIPVFKBI-HKUYNNGSSA-N 1 0 378.831 4.032 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000183629285 822503375 /nfs/dbraw/zinc/50/33/75/822503375.db2.gz QHQFBKMBMWJGJT-KBPBESRZSA-N 1 0 397.431 4.336 20 5 GIBDRO COc1cc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184212998 822597056 /nfs/dbraw/zinc/59/70/56/822597056.db2.gz IKNUUVFUVQXAAV-UHFFFAOYSA-N 1 0 388.439 4.171 20 5 GIBDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000184530042 822651935 /nfs/dbraw/zinc/65/19/35/822651935.db2.gz OFXFVRGQXKOFQD-RTWAWAEBSA-N 1 0 385.439 4.268 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000184535196 822652986 /nfs/dbraw/zinc/65/29/86/822652986.db2.gz MHJSEQYZKCZNCF-AWEZNQCLSA-N 1 0 396.472 4.398 20 5 GIBDRO O=C(CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000180344996 822667099 /nfs/dbraw/zinc/66/70/99/822667099.db2.gz QRDCTSNDVWEKRR-JOCHJYFZSA-N 1 0 381.476 4.067 20 5 GIBDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3cc([N+](=O)[O-])ccc3C)oc21 ZINC000180357082 822669654 /nfs/dbraw/zinc/66/96/54/822669654.db2.gz HQWKLMMLAIRZLG-AWEZNQCLSA-N 1 0 397.431 4.337 20 5 GIBDRO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 ZINC000180397304 822675380 /nfs/dbraw/zinc/67/53/80/822675380.db2.gz HCJSFEHXNGAYQH-ZDUSSCGKSA-N 1 0 396.472 4.316 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000180416856 822678060 /nfs/dbraw/zinc/67/80/60/822678060.db2.gz CUGQMJBOEVFGOP-INIZCTEOSA-N 1 0 377.238 4.361 20 5 GIBDRO C[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000180452163 822684890 /nfs/dbraw/zinc/68/48/90/822684890.db2.gz RTUWKDKRCKNCRU-KSMMKXTCSA-N 1 0 378.856 4.038 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](CCO)c2ccccc2)c2ccccc2)c1 ZINC000180607399 822711136 /nfs/dbraw/zinc/71/11/36/822711136.db2.gz XPNYGQSUBOZDPE-JTHBVZDNSA-N 1 0 376.456 4.440 20 5 GIBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133492 822747807 /nfs/dbraw/zinc/74/78/07/822747807.db2.gz VYQOMFSMLDECPH-PLMTUMEDSA-N 1 0 397.475 4.022 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCC(O)(c4cccnc4)CC3)o2)cc1 ZINC000185693071 822810696 /nfs/dbraw/zinc/81/06/96/822810696.db2.gz CVLHLRBNCSKAAJ-UHFFFAOYSA-N 1 0 393.443 4.170 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1csc2ccccc12 ZINC000052806024 822811324 /nfs/dbraw/zinc/81/13/24/822811324.db2.gz HMLGMCUYQJXGOD-UHFFFAOYSA-N 1 0 399.472 4.279 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cs1 ZINC000052833954 822812598 /nfs/dbraw/zinc/81/25/98/822812598.db2.gz LDWYYRQCDABYAE-UHFFFAOYSA-N 1 0 397.294 4.214 20 5 GIBDRO Cc1ccc(OC2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000053016433 822818806 /nfs/dbraw/zinc/81/88/06/822818806.db2.gz KAZRUXBNGMZQPE-UHFFFAOYSA-N 1 0 397.475 4.084 20 5 GIBDRO COc1ccc(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000053098041 822821608 /nfs/dbraw/zinc/82/16/08/822821608.db2.gz KPCHSXUNWVGYIO-INIZCTEOSA-N 1 0 397.475 4.151 20 5 GIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456681213 822822174 /nfs/dbraw/zinc/82/21/74/822822174.db2.gz GUANJCKLIJFLSG-UHFFFAOYSA-N 1 0 391.537 4.234 20 5 GIBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000185956882 822837200 /nfs/dbraw/zinc/83/72/00/822837200.db2.gz FPAYKTWDUUZVSC-JTQLQIEISA-N 1 0 375.372 4.190 20 5 GIBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828212 822842652 /nfs/dbraw/zinc/84/26/52/822842652.db2.gz VUZFLZFBGYFRGR-UHFFFAOYSA-N 1 0 383.876 4.080 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000054394245 822881525 /nfs/dbraw/zinc/88/15/25/822881525.db2.gz MGBVSWCXUXCQHL-UHFFFAOYSA-N 1 0 391.265 4.153 20 5 GIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186633512 822926655 /nfs/dbraw/zinc/92/66/55/822926655.db2.gz JQFZUZOPQMUZAW-BTYIYWSLSA-N 1 0 382.439 4.168 20 5 GIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175563030 822998204 /nfs/dbraw/zinc/99/82/04/822998204.db2.gz QJHBMADIPLOPCX-UHFFFAOYSA-N 1 0 375.856 4.018 20 5 GIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000570292425 823023142 /nfs/dbraw/zinc/02/31/42/823023142.db2.gz OUCSCPMGGUMZJY-BFUOFWGJSA-N 1 0 380.448 4.217 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000175705317 823024304 /nfs/dbraw/zinc/02/43/04/823024304.db2.gz KJRIUPGBHOGHPA-NEPJUHHUSA-N 1 0 397.353 4.171 20 5 GIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175726553 823027767 /nfs/dbraw/zinc/02/77/67/823027767.db2.gz OHKRKMJWURYGRN-UHFFFAOYSA-N 1 0 391.855 4.221 20 5 GIBDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1c[nH]c3ccc([N+](=O)[O-])cc13)CCCO2 ZINC000570360861 823029056 /nfs/dbraw/zinc/02/90/56/823029056.db2.gz BCBNPEKEKAZSRR-LJQANCHMSA-N 1 0 381.432 4.131 20 5 GIBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000570366823 823029756 /nfs/dbraw/zinc/02/97/56/823029756.db2.gz HFLXONBDIGKEHB-UHFFFAOYSA-N 1 0 385.395 4.134 20 5 GIBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123851610 823545562 /nfs/dbraw/zinc/54/55/62/823545562.db2.gz QBVNVNBHCACNCJ-INIZCTEOSA-N 1 0 399.491 4.229 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000411120989 823549772 /nfs/dbraw/zinc/54/97/72/823549772.db2.gz RTOOLLYBMJJGGF-CQSZACIVSA-N 1 0 397.431 4.371 20 5 GIBDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000060979093 823570933 /nfs/dbraw/zinc/57/09/33/823570933.db2.gz KXONRTUKLCQYSU-UHFFFAOYSA-N 1 0 389.455 4.123 20 5 GIBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000061028812 823574027 /nfs/dbraw/zinc/57/40/27/823574027.db2.gz XXXDYISHTPCYGZ-UHFFFAOYSA-N 1 0 378.428 4.472 20 5 GIBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000061743176 823611241 /nfs/dbraw/zinc/61/12/41/823611241.db2.gz QDYVJKFGDJHYBP-UHFFFAOYSA-N 1 0 388.855 4.034 20 5 GIBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000063704590 823690182 /nfs/dbraw/zinc/69/01/82/823690182.db2.gz JLCHTJWHYMZMOA-PXNSSMCTSA-N 1 0 381.476 4.201 20 5 GIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000125717167 823699724 /nfs/dbraw/zinc/69/97/24/823699724.db2.gz BQZMGYLXSQACGG-UHFFFAOYSA-N 1 0 390.443 4.300 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165010067 823829716 /nfs/dbraw/zinc/82/97/16/823829716.db2.gz JGWLMNPYKZJHCN-INIZCTEOSA-N 1 0 393.443 4.277 20 5 GIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000192037326 823840056 /nfs/dbraw/zinc/84/00/56/823840056.db2.gz KXXNVUMAYMCZSD-CRAIPNDOSA-N 1 0 380.803 4.016 20 5 GIBDRO CSc1nnc(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1CC(C)C ZINC000165675217 823858488 /nfs/dbraw/zinc/85/84/88/823858488.db2.gz JOGBQAPAEFFZOW-OAHLLOKOSA-N 1 0 391.541 4.156 20 5 GIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000165684237 823858993 /nfs/dbraw/zinc/85/89/93/823858993.db2.gz YLSMJVPTGIJGMX-VQIMIIECSA-N 1 0 399.491 4.172 20 5 GIBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000166374474 823877008 /nfs/dbraw/zinc/87/70/08/823877008.db2.gz QNZTWYKKADYHJH-ILXRZTDVSA-N 1 0 376.478 4.168 20 5 GIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@H]2CCOC2)c1 ZINC000167183935 823888265 /nfs/dbraw/zinc/88/82/65/823888265.db2.gz UJHHOIGOEDTDKZ-MSOLQXFVSA-N 1 0 384.476 4.478 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000126647425 823918763 /nfs/dbraw/zinc/91/87/63/823918763.db2.gz XMPCIXOOCUVNSK-NEPJUHHUSA-N 1 0 379.819 4.374 20 5 GIBDRO COc1cc(C[NH2+][C@@H]2CS[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414496878 823995431 /nfs/dbraw/zinc/99/54/31/823995431.db2.gz DYVWVIJXTJLZTO-PBHICJAKSA-N 1 0 388.489 4.166 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000127074418 824011836 /nfs/dbraw/zinc/01/18/36/824011836.db2.gz KGFAJSTWVOWLGI-UHFFFAOYSA-N 1 0 376.840 4.245 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)o2)c(Cl)c1 ZINC000171050065 824047859 /nfs/dbraw/zinc/04/78/59/824047859.db2.gz LGUROMYLNHQYJA-UHFFFAOYSA-N 1 0 392.839 4.284 20 5 GIBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164630875 719093132 /nfs/dbraw/zinc/09/31/32/719093132.db2.gz WZXZXQPQNCSPRQ-SIKLNZKXSA-N 1 0 388.471 4.244 20 5 GIBDRO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730502 720356704 /nfs/dbraw/zinc/35/67/04/720356704.db2.gz ZTUAZIUJYYCRDA-RTWAWAEBSA-N 1 0 381.483 4.031 20 5 GIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000175965192 823083490 /nfs/dbraw/zinc/08/34/90/823083490.db2.gz AIEDLPWLGCTQAX-AWEZNQCLSA-N 1 0 388.493 4.458 20 5 GIBDRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196559 823100730 /nfs/dbraw/zinc/10/07/30/823100730.db2.gz VNLFZBBHRYQCNH-STQMWFEESA-N 1 0 391.855 4.243 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000056196906 823100860 /nfs/dbraw/zinc/10/08/60/823100860.db2.gz QFHMVQROUHKEHV-NEPJUHHUSA-N 1 0 392.253 4.035 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000056196947 823100869 /nfs/dbraw/zinc/10/08/69/823100869.db2.gz KZGDQBNNUKQGIE-VXGBXAGGSA-N 1 0 381.354 4.291 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000056197301 823101147 /nfs/dbraw/zinc/10/11/47/823101147.db2.gz MGWVANTWDFABEV-NWDGAFQWSA-N 1 0 381.354 4.291 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CC3)co2)cc1 ZINC000121043717 823107959 /nfs/dbraw/zinc/10/79/59/823107959.db2.gz UBPZVEVLYXNSKG-NRFANRHFSA-N 1 0 393.443 4.023 20 5 GIBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000176137475 823133188 /nfs/dbraw/zinc/13/31/88/823133188.db2.gz QWBXBKHDEOBNDI-HDICACEKSA-N 1 0 391.515 4.007 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000056399629 823143409 /nfs/dbraw/zinc/14/34/09/823143409.db2.gz QNMQILQYSMASJH-RDTXWAMCSA-N 1 0 390.509 4.100 20 5 GIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459410908 823187113 /nfs/dbraw/zinc/18/71/13/823187113.db2.gz DFJFPADOWWRDDO-UHFFFAOYSA-N 1 0 391.475 4.301 20 5 GIBDRO C[NH+](C)Cc1cc(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)ccc1F ZINC000571648325 823214388 /nfs/dbraw/zinc/21/43/88/823214388.db2.gz MRYQJTWQEIRBMS-QGZVFWFLSA-N 1 0 385.361 4.189 20 5 GIBDRO Cc1cccc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1[N+](=O)[O-] ZINC000188375268 823228895 /nfs/dbraw/zinc/22/88/95/823228895.db2.gz WVVMPNXMAKZICO-UHFFFAOYSA-N 1 0 399.491 4.005 20 5 GIBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176581713 823241442 /nfs/dbraw/zinc/24/14/42/823241442.db2.gz XDOGIDSIOUJAGA-RHSMWYFYSA-N 1 0 387.867 4.031 20 5 GIBDRO C[C@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176721392 823276797 /nfs/dbraw/zinc/27/67/97/823276797.db2.gz PGOJZBCDNVQPFH-GOEBONIOSA-N 1 0 387.867 4.031 20 5 GIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2cccnc2)cc1 ZINC000176747372 823283796 /nfs/dbraw/zinc/28/37/96/823283796.db2.gz SVNMTUAUDXYMMH-OAHLLOKOSA-N 1 0 391.427 4.374 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)ccc1Oc1ccccc1Cl ZINC000188816214 823312033 /nfs/dbraw/zinc/31/20/33/823312033.db2.gz XFVCADKQVRQNOP-ZFWWWQNUSA-N 1 0 376.840 4.291 20 5 GIBDRO CCCOc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC ZINC000572439073 823339270 /nfs/dbraw/zinc/33/92/70/823339270.db2.gz JEXCTKIZGZQREQ-UHFFFAOYSA-N 1 0 383.448 4.206 20 5 GIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000016779960 818477482 /nfs/dbraw/zinc/47/74/82/818477482.db2.gz GSRWTERTTRDQGC-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000572517711 823352644 /nfs/dbraw/zinc/35/26/44/823352644.db2.gz HCKTWGZGKQLKEA-CALCHBBNSA-N 1 0 395.503 4.311 20 5 GIBDRO CC(C)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000021817881 818739444 /nfs/dbraw/zinc/73/94/44/818739444.db2.gz WOXVZLJJFZVIRL-MRXNPFEDSA-N 1 0 392.253 4.035 20 5 GIBDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000572558251 823360445 /nfs/dbraw/zinc/36/04/45/823360445.db2.gz ZLGURFDWJVDPLY-APWZRJJASA-N 1 0 378.476 4.044 20 5 GIBDRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572675756 823380637 /nfs/dbraw/zinc/38/06/37/823380637.db2.gz KPLSMUBBCTZZGA-SFHVURJKSA-N 1 0 395.503 4.247 20 5 GIBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122629583 823384622 /nfs/dbraw/zinc/38/46/22/823384622.db2.gz LZGPNUCFPMQPJZ-UZLBHIALSA-N 1 0 396.491 4.141 20 5 GIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177343539 823440618 /nfs/dbraw/zinc/44/06/18/823440618.db2.gz UUWQIKOAKYOEOX-UHFFFAOYSA-N 1 0 396.472 4.341 20 5 GIBDRO C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025216164 819944135 /nfs/dbraw/zinc/94/41/35/819944135.db2.gz WXECJPIXTDNESN-ZBEGNZNMSA-N 1 0 391.880 4.402 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000026250353 820075030 /nfs/dbraw/zinc/07/50/30/820075030.db2.gz ZCNLYXUCRFGMNG-UHFFFAOYSA-N 1 0 393.443 4.217 20 5 GIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000058824424 823459724 /nfs/dbraw/zinc/45/97/24/823459724.db2.gz NHVVGVSYJHANAH-UHFFFAOYSA-N 1 0 390.509 4.341 20 5 GIBDRO Cc1c(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000410332876 823465855 /nfs/dbraw/zinc/46/58/55/823465855.db2.gz KOQHKNWRFIYNTL-UHFFFAOYSA-N 1 0 396.491 4.457 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1ccccc1 ZINC000177475465 823470935 /nfs/dbraw/zinc/47/09/35/823470935.db2.gz KNNMKGOHEDGQKB-MJBXVCDLSA-N 1 0 375.856 4.357 20 5 GIBDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000029341618 820440185 /nfs/dbraw/zinc/44/01/85/820440185.db2.gz RYVLXPIMAQNRAO-UHFFFAOYSA-N 1 0 381.476 4.065 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000573371745 823485778 /nfs/dbraw/zinc/48/57/78/823485778.db2.gz GNMPPMCSQXKLAQ-UZLBHIALSA-N 1 0 396.491 4.189 20 5 GIBDRO C[NH+](C)[C@H](CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000029923621 820549308 /nfs/dbraw/zinc/54/93/08/820549308.db2.gz LVAZKJRNJSPEJM-OAHLLOKOSA-N 1 0 398.341 4.237 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CCCC3)o2)c(Br)c1 ZINC000177591745 823497736 /nfs/dbraw/zinc/49/77/36/823497736.db2.gz VMZAPOQWOJBEQF-UHFFFAOYSA-N 1 0 395.253 4.012 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000460732216 823498550 /nfs/dbraw/zinc/49/85/50/823498550.db2.gz FKECXZPPLPUGRL-KRWDZBQOSA-N 1 0 381.476 4.065 20 5 GIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000123363033 823501593 /nfs/dbraw/zinc/50/15/93/823501593.db2.gz NLGHPSQOYISVDD-FQEVSTJZSA-N 1 0 394.500 4.399 20 5 GIBDRO C[N@H+](Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000059888556 823501891 /nfs/dbraw/zinc/50/18/91/823501891.db2.gz BZMZEDZIYLLJBN-UHFFFAOYSA-N 1 0 387.505 4.351 20 5 GIBDRO Cc1c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000031620977 820835586 /nfs/dbraw/zinc/83/55/86/820835586.db2.gz MMPFXHFDAAZWHP-UHFFFAOYSA-N 1 0 398.419 4.050 20 5 GIBDRO Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])cc1 ZINC000060470255 823531723 /nfs/dbraw/zinc/53/17/23/823531723.db2.gz UMRJOLBBPKPQAJ-MRXNPFEDSA-N 1 0 397.500 4.021 20 5 GIBDRO CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177855644 823536957 /nfs/dbraw/zinc/53/69/57/823536957.db2.gz NFPHTFJTPKLRQD-OAQYLSRUSA-N 1 0 381.476 4.330 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000180933611 821545403 /nfs/dbraw/zinc/54/54/03/821545403.db2.gz WDTRMEZEPCWFRO-MRXNPFEDSA-N 1 0 390.443 4.336 20 5 GIBDRO C[C@@H](CCO)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000180976468 821568476 /nfs/dbraw/zinc/56/84/76/821568476.db2.gz HMQWCTNPFWSTBB-KRWDZBQOSA-N 1 0 395.459 4.065 20 5 GIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000044754607 821653733 /nfs/dbraw/zinc/65/37/33/821653733.db2.gz NLHJHHKKVQQFEI-IRXDYDNUSA-N 1 0 381.476 4.003 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181304095 821744535 /nfs/dbraw/zinc/74/45/35/821744535.db2.gz VQYWNWVATKXVMK-HOTGVXAUSA-N 1 0 390.443 4.335 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000181308677 821747606 /nfs/dbraw/zinc/74/76/06/821747606.db2.gz RXLDZXCLNSXHHQ-GFCCVEGCSA-N 1 0 375.812 4.056 20 5 GIBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000181308659 821747885 /nfs/dbraw/zinc/74/78/85/821747885.db2.gz RXLDZXCLNSXHHQ-LBPRGKRZSA-N 1 0 375.812 4.056 20 5 GIBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181392485 821802489 /nfs/dbraw/zinc/80/24/89/821802489.db2.gz YJQWRFUAJHMNOQ-WBMJQRKESA-N 1 0 379.254 4.050 20 5 GIBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664786 821931936 /nfs/dbraw/zinc/93/19/36/821931936.db2.gz MRFIIXSHVBDJNH-UONOGXRCSA-N 1 0 387.505 4.192 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000181819801 822005810 /nfs/dbraw/zinc/00/58/10/822005810.db2.gz AXBIGQCMNMUBMA-NSHDSACASA-N 1 0 382.247 4.499 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000181826531 822008760 /nfs/dbraw/zinc/00/87/60/822008760.db2.gz GEYURIKCZWSMMA-UONOGXRCSA-N 1 0 375.856 4.085 20 5 GIBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000182159268 822123314 /nfs/dbraw/zinc/12/33/14/822123314.db2.gz USTRFLTZCHCREO-FXAWDEMLSA-N 1 0 395.459 4.043 20 5 GIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000182630453 822330777 /nfs/dbraw/zinc/33/07/77/822330777.db2.gz OEFVBWAZHHBOTI-ZDUSSCGKSA-N 1 0 383.404 4.029 20 5 GIBDRO Cc1cnn(-c2cc[nH+]cc2NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000182667738 822344801 /nfs/dbraw/zinc/34/48/01/822344801.db2.gz AKHWHRVYGQDJQZ-UHFFFAOYSA-N 1 0 392.444 4.220 20 5 GIBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000178202451 822351506 /nfs/dbraw/zinc/35/15/06/822351506.db2.gz BJYFWBDWKGFFIK-CQSZACIVSA-N 1 0 381.354 4.082 20 5 GIBDRO Cc1ccc(NC(=O)C2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc1 ZINC000182860608 822380669 /nfs/dbraw/zinc/38/06/69/822380669.db2.gz RBLDYVWRXYCHHY-INIZCTEOSA-N 1 0 382.464 4.018 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000182861096 822380974 /nfs/dbraw/zinc/38/09/74/822380974.db2.gz DCZVYHHBEDYLIU-MRXNPFEDSA-N 1 0 388.512 4.061 20 5 GIBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000453598493 822391063 /nfs/dbraw/zinc/39/10/63/822391063.db2.gz AITQHNRJYZTGLJ-UHFFFAOYSA-N 1 0 391.855 4.045 20 5 GIBDRO C[C@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647543 822399367 /nfs/dbraw/zinc/39/93/67/822399367.db2.gz XPTROPQMMDFQNL-KRWDZBQOSA-N 1 0 393.443 4.298 20 5 GIBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178669791 822401301 /nfs/dbraw/zinc/40/13/01/822401301.db2.gz XZPSPHFZFYQDCZ-JPYJTQIMSA-N 1 0 385.511 4.477 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000178679690 822402168 /nfs/dbraw/zinc/40/21/68/822402168.db2.gz OFELLZMRWYQKDT-QWHCGFSZSA-N 1 0 393.390 4.182 20 5 GIBDRO Cc1ccc(Sc2ccc(C(=O)N3CCC([C@@H](C)[NH3+])CC3)cc2[N+](=O)[O-])cc1 ZINC000178800934 822411578 /nfs/dbraw/zinc/41/15/78/822411578.db2.gz ZIYOPPAEDISCBU-OAHLLOKOSA-N 1 0 399.516 4.254 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000179477923 822488187 /nfs/dbraw/zinc/48/81/87/822488187.db2.gz GIKBOOWROUPDBR-CABCVRRESA-N 1 0 396.447 4.498 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000179501721 822492304 /nfs/dbraw/zinc/49/23/04/822492304.db2.gz JNMYZSKPKYEARN-DIFFPNOSSA-N 1 0 382.819 4.170 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000179530814 822497990 /nfs/dbraw/zinc/49/79/90/822497990.db2.gz JZFAPLCDMNTAFX-INIZCTEOSA-N 1 0 385.464 4.370 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000183629268 822503380 /nfs/dbraw/zinc/50/33/80/822503380.db2.gz QHQFBKMBMWJGJT-KGLIPLIRSA-N 1 0 397.431 4.336 20 5 GIBDRO COc1cccc(F)c1[C@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179900828 822573798 /nfs/dbraw/zinc/57/37/98/822573798.db2.gz ZBDMVWFFMCJWKV-ZDUSSCGKSA-N 1 0 385.395 4.291 20 5 GIBDRO CCOc1cccc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000184116848 822580757 /nfs/dbraw/zinc/58/07/57/822580757.db2.gz NBVCVTQJXHIYEZ-QGZVFWFLSA-N 1 0 399.491 4.305 20 5 GIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])cc1F ZINC000184310464 822612489 /nfs/dbraw/zinc/61/24/89/822612489.db2.gz PASQAJCTCKCHDC-CYBMUJFWSA-N 1 0 384.411 4.087 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cccc1[N+](=O)[O-] ZINC000184461651 822639633 /nfs/dbraw/zinc/63/96/33/822639633.db2.gz SLDDWZRXBZKPQB-CYBMUJFWSA-N 1 0 390.509 4.337 20 5 GIBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2C1 ZINC000184520819 822649946 /nfs/dbraw/zinc/64/99/46/822649946.db2.gz LNAJJWOPLIXAEP-VBKZILBWSA-N 1 0 385.439 4.186 20 5 GIBDRO NC(=O)c1ccc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000180375513 822671954 /nfs/dbraw/zinc/67/19/54/822671954.db2.gz RMQPXZMGJBATDN-NRFANRHFSA-N 1 0 389.455 4.157 20 5 GIBDRO CN(C(=O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000184997631 822723429 /nfs/dbraw/zinc/72/34/29/822723429.db2.gz MBMVOLSGWCFUFK-IBGZPJMESA-N 1 0 395.484 4.193 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000053233764 822827320 /nfs/dbraw/zinc/82/73/20/822827320.db2.gz MSDIQGTTWBOLSR-ZDUSSCGKSA-N 1 0 391.855 4.278 20 5 GIBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174823902 822842210 /nfs/dbraw/zinc/84/22/10/822842210.db2.gz TYTACJZOOKZNES-UHFFFAOYSA-N 1 0 383.876 4.080 20 5 GIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569058949 822875106 /nfs/dbraw/zinc/87/51/06/822875106.db2.gz VQYDRZOTHMHCMR-PMACEKPBSA-N 1 0 388.471 4.101 20 5 GIBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])ccc2NC1=O ZINC000569378686 822913319 /nfs/dbraw/zinc/91/33/19/822913319.db2.gz YOTPHCIZSIRNLX-UVIMBBFXSA-N 1 0 381.432 4.042 20 5 GIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186633573 822926746 /nfs/dbraw/zinc/92/67/46/822926746.db2.gz JQFZUZOPQMUZAW-QVKFZJNVSA-N 1 0 382.439 4.168 20 5 GIBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000569722918 822959129 /nfs/dbraw/zinc/95/91/29/822959129.db2.gz HMNISRNCKCFQCD-HNNXBMFYSA-N 1 0 375.856 4.082 20 5 GIBDRO Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458299069 822980359 /nfs/dbraw/zinc/98/03/59/822980359.db2.gz ZTCLSVVBHZXGAR-ZDUSSCGKSA-N 1 0 391.855 4.024 20 5 GIBDRO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000187207877 823025000 /nfs/dbraw/zinc/02/50/00/823025000.db2.gz KNMTUWYCEXQCCB-YVEFUNNKSA-N 1 0 395.381 4.035 20 5 GIBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000123863097 823547091 /nfs/dbraw/zinc/54/70/91/823547091.db2.gz XFLIHLOBLVVDTC-INIZCTEOSA-N 1 0 399.491 4.229 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000411185382 823555216 /nfs/dbraw/zinc/55/52/16/823555216.db2.gz WGNOUAFFXBAYDH-LJQANCHMSA-N 1 0 383.448 4.078 20 5 GIBDRO CCC(CC)(CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccccc1 ZINC000461050093 823565765 /nfs/dbraw/zinc/56/57/65/823565765.db2.gz UAYPNILYKTZJFE-QGZVFWFLSA-N 1 0 383.492 4.163 20 5 GIBDRO CSC[C@H](CCO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000124170394 823574330 /nfs/dbraw/zinc/57/43/30/823574330.db2.gz ULMJTGUGIHFTHB-AWEZNQCLSA-N 1 0 396.896 4.244 20 5 GIBDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000411754306 823602643 /nfs/dbraw/zinc/60/26/43/823602643.db2.gz DVVIRONPHVPSKU-UHFFFAOYSA-N 1 0 395.381 4.467 20 5 GIBDRO CC(C)CCSc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000124765445 823624444 /nfs/dbraw/zinc/62/44/44/823624444.db2.gz VEPPMVALZNMAPZ-NVXWUHKLSA-N 1 0 393.553 4.288 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000191355265 823675733 /nfs/dbraw/zinc/67/57/33/823675733.db2.gz BEZGPVMHYPVUHO-IEBWSBKVSA-N 1 0 378.432 4.146 20 5 GIBDRO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000063679550 823689016 /nfs/dbraw/zinc/68/90/16/823689016.db2.gz FDABKBFSSDPSSB-UHFFFAOYSA-N 1 0 381.476 4.209 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000125610024 823689791 /nfs/dbraw/zinc/68/97/91/823689791.db2.gz DTUWSKCGVXTROC-SJKOYZFVSA-N 1 0 384.354 4.186 20 5 GIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000125626650 823691143 /nfs/dbraw/zinc/69/11/43/823691143.db2.gz TULIMPBSSPPRSW-SJKOYZFVSA-N 1 0 384.354 4.186 20 5 GIBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000413023440 823700290 /nfs/dbraw/zinc/70/02/90/823700290.db2.gz IXUIMTPVSYXRQC-UHFFFAOYSA-N 1 0 380.370 4.085 20 5 GIBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413142894 823714596 /nfs/dbraw/zinc/71/45/96/823714596.db2.gz OGUWFPIBNDEJMK-KBPBESRZSA-N 1 0 386.418 4.099 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(c4ccncc4)CC3)o2)c1 ZINC000191676453 823729831 /nfs/dbraw/zinc/72/98/31/823729831.db2.gz TXVYTXYBFSWXCW-UHFFFAOYSA-N 1 0 378.432 4.067 20 5 GIBDRO Cc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000461942947 823767157 /nfs/dbraw/zinc/76/71/57/823767157.db2.gz DWINLSRKPOOMMH-MRXNPFEDSA-N 1 0 387.455 4.354 20 5 GIBDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000574834890 823838129 /nfs/dbraw/zinc/83/81/29/823838129.db2.gz RQTMAUIZQRNHNU-SNRMKQJTSA-N 1 0 399.495 4.049 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000126391888 823855214 /nfs/dbraw/zinc/85/52/14/823855214.db2.gz MZGVPEKIMATRJX-SJORKVTESA-N 1 0 396.491 4.181 20 5 GIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000165683967 823858395 /nfs/dbraw/zinc/85/83/95/823858395.db2.gz YLSMJVPTGIJGMX-QFBILLFUSA-N 1 0 399.491 4.172 20 5 GIBDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000168256790 823901669 /nfs/dbraw/zinc/90/16/69/823901669.db2.gz DCPDDGNUFRWXES-OAHLLOKOSA-N 1 0 389.521 4.085 20 5 GIBDRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000575071832 823904484 /nfs/dbraw/zinc/90/44/84/823904484.db2.gz IJVXKWMKPNBCEZ-VOBQZIQPSA-N 1 0 397.450 4.063 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@]4(CCSC4)C3)s2)cc1 ZINC000575124963 823918195 /nfs/dbraw/zinc/91/81/95/823918195.db2.gz QDVDZKXQQALPBX-GOSISDBHSA-N 1 0 376.503 4.031 20 5 GIBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1csc(Br)c1 ZINC000064994247 823922621 /nfs/dbraw/zinc/92/26/21/823922621.db2.gz ZPXPGFFBCRVELW-UHFFFAOYSA-N 1 0 385.283 4.320 20 5 GIBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000126799088 823953917 /nfs/dbraw/zinc/95/39/17/823953917.db2.gz FNQLYCKAZCMZRM-INIZCTEOSA-N 1 0 399.491 4.228 20 5 GIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000575505049 823974796 /nfs/dbraw/zinc/97/47/96/823974796.db2.gz QSKWUQDSEPSQKO-ZDUSSCGKSA-N 1 0 392.459 4.199 20 5 GIBDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000414553338 824010089 /nfs/dbraw/zinc/01/00/89/824010089.db2.gz QYODPJLNLCDPFZ-INIZCTEOSA-N 1 0 399.516 4.300 20 5 GIBDRO C[C@@H]1C[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414944232 824052665 /nfs/dbraw/zinc/05/26/65/824052665.db2.gz GJDDOMIHDANGBX-UKRRQHHQSA-N 1 0 375.856 4.271 20 5 GIBDRO C[C@@H]1CN(c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164635680 719199215 /nfs/dbraw/zinc/19/92/15/719199215.db2.gz LGSFFJSQGVOCPF-NEPJUHHUSA-N 1 0 394.834 4.103 20 5 GIBDRO CC[C@@H](Nc1cccc(NC(=O)C[NH+](CC)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000570709030 823074371 /nfs/dbraw/zinc/07/43/71/823074371.db2.gz YGIYLRKMIZBHIQ-HXUWFJFHSA-N 1 0 384.480 4.438 20 5 GIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000120854717 823077394 /nfs/dbraw/zinc/07/73/94/823077394.db2.gz BSEHOFGXWVDEPD-INIZCTEOSA-N 1 0 382.395 4.164 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120872481 823080404 /nfs/dbraw/zinc/08/04/04/823080404.db2.gz MLJHQGHQVZRQCW-MRXNPFEDSA-N 1 0 382.395 4.164 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000056156799 823091636 /nfs/dbraw/zinc/09/16/36/823091636.db2.gz PSYXVHDMGHRFFS-CVEARBPZSA-N 1 0 385.464 4.368 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000056163518 823093775 /nfs/dbraw/zinc/09/37/75/823093775.db2.gz QMIFOMPIZOURMZ-HZPDHXFCSA-N 1 0 385.464 4.368 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000056196942 823100910 /nfs/dbraw/zinc/10/09/10/823100910.db2.gz KZGDQBNNUKQGIE-RYUDHWBXSA-N 1 0 381.354 4.291 20 5 GIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Oc3ccccc3)nc2)n1 ZINC000570921696 823108031 /nfs/dbraw/zinc/10/80/31/823108031.db2.gz BTBMEPLHGABKST-RBUKOAKNSA-N 1 0 393.447 4.252 20 5 GIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(Oc3ccccc3)nc2)n1 ZINC000570921694 823108081 /nfs/dbraw/zinc/10/80/81/823108081.db2.gz BTBMEPLHGABKST-MOPGFXCFSA-N 1 0 393.447 4.252 20 5 GIBDRO CSc1cccc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000188055346 823178873 /nfs/dbraw/zinc/17/88/73/823178873.db2.gz MZEUVNZVSLCWMR-UHFFFAOYSA-N 1 0 387.505 4.087 20 5 GIBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121419456 823181268 /nfs/dbraw/zinc/18/12/68/823181268.db2.gz YKEWEXJOTLRDMD-XJKSGUPXSA-N 1 0 382.395 4.162 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571573025 823202409 /nfs/dbraw/zinc/20/24/09/823202409.db2.gz KIRNKAYVKGRAAQ-QFBILLFUSA-N 1 0 396.491 4.332 20 5 GIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000008269357 818027338 /nfs/dbraw/zinc/02/73/38/818027338.db2.gz AKXOIBXXFYONRL-AWEZNQCLSA-N 1 0 379.416 4.046 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000011101239 818052002 /nfs/dbraw/zinc/05/20/02/818052002.db2.gz ATDACKOINAQPTR-ORAYPTAESA-N 1 0 389.427 4.056 20 5 GIBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000015550386 818337592 /nfs/dbraw/zinc/33/75/92/818337592.db2.gz OPQFIGRITCSGHB-GOSISDBHSA-N 1 0 379.819 4.313 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176939383 823329574 /nfs/dbraw/zinc/32/95/74/823329574.db2.gz NAMFPUWPTYJKNY-SJLPKXTDSA-N 1 0 382.464 4.078 20 5 GIBDRO COc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F ZINC000016423901 818441639 /nfs/dbraw/zinc/44/16/39/818441639.db2.gz GYOUAPSOMKGNDD-UHFFFAOYSA-N 1 0 378.375 4.369 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000016468679 818445703 /nfs/dbraw/zinc/44/57/03/818445703.db2.gz OFHYODAZKYVABY-GOSISDBHSA-N 1 0 375.856 4.061 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cc1[N+](=O)[O-] ZINC000122335907 823340011 /nfs/dbraw/zinc/34/00/11/823340011.db2.gz IFCPHYWEGDHKHH-KRWDZBQOSA-N 1 0 382.508 4.289 20 5 GIBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000018182413 818554771 /nfs/dbraw/zinc/55/47/71/818554771.db2.gz RUHSFPDNPGCWAC-UHFFFAOYSA-N 1 0 390.443 4.098 20 5 GIBDRO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000018186140 818555218 /nfs/dbraw/zinc/55/52/18/818555218.db2.gz LSVWVHPBFZNFBU-SFHVURJKSA-N 1 0 387.505 4.168 20 5 GIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177041515 823357496 /nfs/dbraw/zinc/35/74/96/823357496.db2.gz FTNJTQHGKMXJBK-UHFFFAOYSA-N 1 0 394.475 4.080 20 5 GIBDRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000409977279 823360391 /nfs/dbraw/zinc/36/03/91/823360391.db2.gz ORXRLUOQGKWOKN-UHFFFAOYSA-N 1 0 381.476 4.209 20 5 GIBDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000572558254 823360427 /nfs/dbraw/zinc/36/04/27/823360427.db2.gz ZLGURFDWJVDPLY-VQIMIIECSA-N 1 0 378.476 4.044 20 5 GIBDRO Cc1c(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000058530613 823404615 /nfs/dbraw/zinc/40/46/15/823404615.db2.gz DYADXRZEUBWQFT-MRXNPFEDSA-N 1 0 396.491 4.457 20 5 GIBDRO C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025215383 819943984 /nfs/dbraw/zinc/94/39/84/819943984.db2.gz DRWRDLPFMHJXHZ-ZBEGNZNMSA-N 1 0 391.880 4.402 20 5 GIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573137539 823453238 /nfs/dbraw/zinc/45/32/38/823453238.db2.gz QDNKLWSJEZIXQP-ZUZCIYMTSA-N 1 0 382.386 4.309 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000026230741 820072364 /nfs/dbraw/zinc/07/23/64/820072364.db2.gz WKESEVDSCQYZEB-JOCHJYFZSA-N 1 0 390.443 4.006 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@]3(O)CCC[C@H](C(F)(F)F)C3)o2)c1 ZINC000189629074 823462493 /nfs/dbraw/zinc/46/24/93/823462493.db2.gz WZGGLJQOHZGWPY-KBXCAEBGSA-N 1 0 398.381 4.428 20 5 GIBDRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000058950231 823474692 /nfs/dbraw/zinc/47/46/92/823474692.db2.gz IAWILFWQIXLVNB-MRXNPFEDSA-N 1 0 381.476 4.208 20 5 GIBDRO CC(=O)c1ccc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000030001672 820565944 /nfs/dbraw/zinc/56/59/44/820565944.db2.gz UHDIMEVMIQUQJT-HOTGVXAUSA-N 1 0 397.475 4.019 20 5 GIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H](C)O ZINC000123508100 823515724 /nfs/dbraw/zinc/51/57/24/823515724.db2.gz HYRXNZMJEMXABB-NEPJUHHUSA-N 1 0 397.269 4.114 20 5 GIBDRO Cc1ccc([C@@H](C)NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000177852171 823536397 /nfs/dbraw/zinc/53/63/97/823536397.db2.gz HVCNWUTWFHUEPW-CQSZACIVSA-N 1 0 381.432 4.202 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000180759011 821438814 /nfs/dbraw/zinc/43/88/14/821438814.db2.gz QYKALGOGIOPYEP-UHFFFAOYSA-N 1 0 381.904 4.222 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180832481 821486099 /nfs/dbraw/zinc/48/60/99/821486099.db2.gz ACQILKFIBHFTQJ-INIZCTEOSA-N 1 0 380.448 4.419 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] ZINC000181008234 821589903 /nfs/dbraw/zinc/58/99/03/821589903.db2.gz NHXVUCVTRWFCID-CQSZACIVSA-N 1 0 398.488 4.405 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000181132686 821652733 /nfs/dbraw/zinc/65/27/33/821652733.db2.gz QZSJFWMZOKBJJR-GFCCVEGCSA-N 1 0 392.253 4.037 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181388501 821800445 /nfs/dbraw/zinc/80/04/45/821800445.db2.gz MZZCHBWWZGRFPZ-PXAZEXFGSA-N 1 0 379.254 4.050 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000181554360 821879011 /nfs/dbraw/zinc/87/90/11/821879011.db2.gz XWRCFGFBIWOSQI-QFBILLFUSA-N 1 0 386.492 4.446 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000181588555 821892411 /nfs/dbraw/zinc/89/24/11/821892411.db2.gz PJNXUNAJCVYNBX-DLBZAZTESA-N 1 0 398.507 4.265 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000181837778 822013213 /nfs/dbraw/zinc/01/32/13/822013213.db2.gz RQUSHIHBGXTFSE-LLVKDONJSA-N 1 0 382.247 4.499 20 5 GIBDRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181838146 822013314 /nfs/dbraw/zinc/01/33/14/822013314.db2.gz YGOCDBFSEUWCGK-ZDUSSCGKSA-N 1 0 391.855 4.163 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000182469508 822255268 /nfs/dbraw/zinc/25/52/68/822255268.db2.gz VVVYEGFESHFQON-GFCCVEGCSA-N 1 0 381.354 4.293 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000182513543 822276916 /nfs/dbraw/zinc/27/69/16/822276916.db2.gz OZVPFTAVDVYMQP-LBPRGKRZSA-N 1 0 397.353 4.091 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000182513591 822277169 /nfs/dbraw/zinc/27/71/69/822277169.db2.gz YCIIJOSPHJWBQK-LBPRGKRZSA-N 1 0 397.353 4.091 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000182649123 822338451 /nfs/dbraw/zinc/33/84/51/822338451.db2.gz JTUCNQNBLSXVDH-IRXDYDNUSA-N 1 0 383.496 4.162 20 5 GIBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000182661703 822343007 /nfs/dbraw/zinc/34/30/07/822343007.db2.gz MCNHTOPICRMRRJ-CQSZACIVSA-N 1 0 397.431 4.419 20 5 GIBDRO C[C@H]([NH3+])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000178234863 822357265 /nfs/dbraw/zinc/35/72/65/822357265.db2.gz OTSCWKYNJGFYMD-HNNXBMFYSA-N 1 0 382.464 4.103 20 5 GIBDRO Cc1ccc(NC(=O)C2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc1 ZINC000182860628 822380883 /nfs/dbraw/zinc/38/08/83/822380883.db2.gz RBLDYVWRXYCHHY-MRXNPFEDSA-N 1 0 382.464 4.018 20 5 GIBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178657070 822400193 /nfs/dbraw/zinc/40/01/93/822400193.db2.gz ZUOZNFPZCZWYOS-HIFRSBDPSA-N 1 0 377.391 4.126 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1Cl ZINC000045799499 822414767 /nfs/dbraw/zinc/41/47/67/822414767.db2.gz VTIJVGOIBHBNNY-UHFFFAOYSA-N 1 0 382.247 4.362 20 5 GIBDRO COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000046156340 822445542 /nfs/dbraw/zinc/44/55/42/822445542.db2.gz CMISKCBSRKADAO-HNNXBMFYSA-N 1 0 383.448 4.088 20 5 GIBDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1OC(=O)C1CC1 ZINC000179320349 822465690 /nfs/dbraw/zinc/46/56/90/822465690.db2.gz DBRJGUAZLNMMIZ-UHFFFAOYSA-N 1 0 398.459 4.329 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccccc3OC)CC2)cc1[N+](=O)[O-] ZINC000179414239 822479304 /nfs/dbraw/zinc/47/93/04/822479304.db2.gz LHDKFMJAUNPHEV-INIZCTEOSA-N 1 0 399.491 4.322 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000179614303 822513047 /nfs/dbraw/zinc/51/30/47/822513047.db2.gz SSSUGJAWEULPJA-CYBMUJFWSA-N 1 0 393.390 4.184 20 5 GIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000179658261 822521876 /nfs/dbraw/zinc/52/18/76/822521876.db2.gz OQPLXNKOCVWETB-HXUWFJFHSA-N 1 0 395.503 4.114 20 5 GIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1OC(F)F ZINC000179718855 822534483 /nfs/dbraw/zinc/53/44/83/822534483.db2.gz AGTFTMUDDUSZOL-OAHLLOKOSA-N 1 0 393.390 4.184 20 5 GIBDRO Cc1oc2ccccc2c1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000183924144 822547667 /nfs/dbraw/zinc/54/76/67/822547667.db2.gz OBZLGDVVLAIZKC-UHFFFAOYSA-N 1 0 376.416 4.340 20 5 GIBDRO C[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184011343 822563513 /nfs/dbraw/zinc/56/35/13/822563513.db2.gz VPNKMHCJBCNZBZ-HZPDHXFCSA-N 1 0 399.466 4.179 20 5 GIBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180031195 822601012 /nfs/dbraw/zinc/60/10/12/822601012.db2.gz YWLZWVKWYMGSSG-QFIPXVFZSA-N 1 0 375.428 4.432 20 5 GIBDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455236231 822614724 /nfs/dbraw/zinc/61/47/24/822614724.db2.gz YAQWJUZRUHZSFP-IBGZPJMESA-N 1 0 396.491 4.110 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184383518 822625796 /nfs/dbraw/zinc/62/57/96/822625796.db2.gz HFNMHPJAUHPDAM-OLZOCXBDSA-N 1 0 399.472 4.496 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000180276702 822652872 /nfs/dbraw/zinc/65/28/72/822652872.db2.gz IMXNOVNEYOUGKH-AWEZNQCLSA-N 1 0 395.419 4.063 20 5 GIBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180314459 822662067 /nfs/dbraw/zinc/66/20/67/822662067.db2.gz XSHNOFNFNNQMIE-UHFFFAOYSA-N 1 0 387.867 4.068 20 5 GIBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000180356436 822669406 /nfs/dbraw/zinc/66/94/06/822669406.db2.gz IRUOWSSSZPEQQE-CYBMUJFWSA-N 1 0 383.404 4.029 20 5 GIBDRO CC(C)c1noc(CCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180411739 822677332 /nfs/dbraw/zinc/67/73/32/822677332.db2.gz WVNKAWVMQXAJOW-FQEVSTJZSA-N 1 0 380.448 4.413 20 5 GIBDRO Cc1sc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)nc1-c1ccc(Cl)cc1 ZINC000184945073 822716695 /nfs/dbraw/zinc/71/66/95/822716695.db2.gz ROXRFMMHACCVSF-NSHDSACASA-N 1 0 391.884 4.227 20 5 GIBDRO O=C(C[NH2+][C@H](Cc1ccccc1)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000184978329 822720951 /nfs/dbraw/zinc/72/09/51/822720951.db2.gz WHTSNEQBMFCSNQ-QGZVFWFLSA-N 1 0 381.457 4.168 20 5 GIBDRO C[NH+](C)Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000050559090 822733630 /nfs/dbraw/zinc/73/36/30/822733630.db2.gz CKUBLUKDKWKAMD-UHFFFAOYSA-N 1 0 382.445 4.032 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc21 ZINC000455910840 822747459 /nfs/dbraw/zinc/74/74/59/822747459.db2.gz IUTFAHQEUKWGMS-OAQYLSRUSA-N 1 0 394.475 4.340 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133712 822747792 /nfs/dbraw/zinc/74/77/92/822747792.db2.gz DUHFGJLWVTXMMV-XMSQKQJNSA-N 1 0 397.475 4.023 20 5 GIBDRO C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000185323801 822766098 /nfs/dbraw/zinc/76/60/98/822766098.db2.gz SIBOCVSBJJKIHW-HNNXBMFYSA-N 1 0 385.439 4.114 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)ccc21 ZINC000456284845 822794213 /nfs/dbraw/zinc/79/42/13/822794213.db2.gz UJKAVWGLRKOOSU-OAHLLOKOSA-N 1 0 393.365 4.415 20 5 GIBDRO CC(C)CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000053222765 822826668 /nfs/dbraw/zinc/82/66/68/822826668.db2.gz DRGGIIBDDZDCJR-UHFFFAOYSA-N 1 0 375.513 4.085 20 5 GIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000175079328 822878680 /nfs/dbraw/zinc/87/86/80/822878680.db2.gz DPECKGLYNOCFCY-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO CC1(C)OCc2cc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)ccc2O1 ZINC000186348697 822879691 /nfs/dbraw/zinc/87/96/91/822879691.db2.gz MIJGJRHEKSVCHL-UHFFFAOYSA-N 1 0 398.459 4.283 20 5 GIBDRO Cc1ccc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000175086304 822879726 /nfs/dbraw/zinc/87/97/26/822879726.db2.gz YSXWZBSZTOOHTQ-UHFFFAOYSA-N 1 0 399.491 4.005 20 5 GIBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175093666 822881204 /nfs/dbraw/zinc/88/12/04/822881204.db2.gz VMYDECQMFQOUQS-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000569229580 822894628 /nfs/dbraw/zinc/89/46/28/822894628.db2.gz XJSWDNQUZOFEOY-OAHLLOKOSA-N 1 0 385.489 4.008 20 5 GIBDRO CSc1cccc(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)c1[N+](=O)[O-] ZINC000569408896 822918439 /nfs/dbraw/zinc/91/84/39/822918439.db2.gz CKHJKKFGPUUSAI-UHFFFAOYSA-N 1 0 388.424 4.234 20 5 GIBDRO Cc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000175280009 822923016 /nfs/dbraw/zinc/92/30/16/822923016.db2.gz QCBLCWFDYHPPFH-UHFFFAOYSA-N 1 0 382.464 4.032 20 5 GIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c1 ZINC000055055570 822935572 /nfs/dbraw/zinc/93/55/72/822935572.db2.gz DZUCGDPBAHQXKJ-UHFFFAOYSA-N 1 0 391.265 4.153 20 5 GIBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569614357 822944907 /nfs/dbraw/zinc/94/49/07/822944907.db2.gz JKXJFBXUJBJZKX-IAGOWNOFSA-N 1 0 393.438 4.034 20 5 GIBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186848001 822966946 /nfs/dbraw/zinc/96/69/46/822966946.db2.gz AIPYNZNMBMXTKG-DYVFJYSZSA-N 1 0 395.381 4.248 20 5 GIBDRO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458299063 822980247 /nfs/dbraw/zinc/98/02/47/822980247.db2.gz ZTCLSVVBHZXGAR-CYBMUJFWSA-N 1 0 391.855 4.024 20 5 GIBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000570122166 823007628 /nfs/dbraw/zinc/00/76/28/823007628.db2.gz YWJSOMMVSRMLDH-UHFFFAOYSA-N 1 0 398.510 4.377 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000411119780 823549620 /nfs/dbraw/zinc/54/96/20/823549620.db2.gz LOFUUVNYCQWGSS-LJQANCHMSA-N 1 0 383.448 4.078 20 5 GIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411172353 823554234 /nfs/dbraw/zinc/55/42/34/823554234.db2.gz HDOMEDDPQMGZNH-MRXNPFEDSA-N 1 0 389.477 4.003 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1 ZINC000461040044 823563874 /nfs/dbraw/zinc/56/38/74/823563874.db2.gz ACLHLYMROQFTER-KRWDZBQOSA-N 1 0 381.476 4.297 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCN2CCCC2)cc1 ZINC000061030863 823574403 /nfs/dbraw/zinc/57/44/03/823574403.db2.gz WTCNKECPBJDBRG-UHFFFAOYSA-N 1 0 375.856 4.226 20 5 GIBDRO CC(C)c1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000190558684 823586407 /nfs/dbraw/zinc/58/64/07/823586407.db2.gz IQCVESJKVVZAIO-UHFFFAOYSA-N 1 0 385.464 4.048 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000062238400 823625515 /nfs/dbraw/zinc/62/55/15/823625515.db2.gz MEJYPWWYSZNNAI-VXGBXAGGSA-N 1 0 381.354 4.291 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000191322742 823671668 /nfs/dbraw/zinc/67/16/68/823671668.db2.gz CBFNWTMJTVGORG-GOSISDBHSA-N 1 0 388.512 4.332 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125630222 823691540 /nfs/dbraw/zinc/69/15/40/823691540.db2.gz FCGQUGAILQYRMY-UHFFFAOYSA-N 1 0 389.496 4.046 20 5 GIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000163382115 823705353 /nfs/dbraw/zinc/70/53/53/823705353.db2.gz YDDADLUCXITXRW-UHFFFAOYSA-N 1 0 375.375 4.030 20 5 GIBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413142905 823714643 /nfs/dbraw/zinc/71/46/43/823714643.db2.gz OGUWFPIBNDEJMK-ZIAGYGMSSA-N 1 0 386.418 4.099 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)C1CC1 ZINC000164247893 823789764 /nfs/dbraw/zinc/78/97/64/823789764.db2.gz OAQSUFJFCFUJPB-NRFANRHFSA-N 1 0 390.487 4.145 20 5 GIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000064350161 823798412 /nfs/dbraw/zinc/79/84/12/823798412.db2.gz OMCXCSIVROYGBC-QFIPXVFZSA-N 1 0 394.471 4.398 20 5 GIBDRO CC(C)[N@H+](Cc1ccc(OCc2nccn2C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350814 823799145 /nfs/dbraw/zinc/79/91/45/823799145.db2.gz HRBPYUHXKXYABH-UHFFFAOYSA-N 1 0 394.475 4.318 20 5 GIBDRO COc1cc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1F ZINC000192085966 823855682 /nfs/dbraw/zinc/85/56/82/823855682.db2.gz GRBVFJXEHSLSTL-YJBOKZPZSA-N 1 0 398.793 4.155 20 5 GIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)N(C)C ZINC000165689663 823859043 /nfs/dbraw/zinc/85/90/43/823859043.db2.gz LCLQGTOHWQXQBM-LPHOPBHVSA-N 1 0 399.491 4.172 20 5 GIBDRO Cc1ccccc1[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000126429627 823865120 /nfs/dbraw/zinc/86/51/20/823865120.db2.gz BLHFMINBUADDLY-OAQYLSRUSA-N 1 0 393.443 4.174 20 5 GIBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000575612494 823979291 /nfs/dbraw/zinc/97/92/91/823979291.db2.gz ROQNUZTUNXTYJP-UHFFFAOYSA-N 1 0 385.395 4.134 20 5 GIBDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]C[C@H]3CNC(=O)C3)cc2[N+](=O)[O-])c1 ZINC000414491981 823994760 /nfs/dbraw/zinc/99/47/60/823994760.db2.gz ZXSRJROPQUYMFY-KRWDZBQOSA-N 1 0 397.475 4.045 20 5 GIBDRO COc1cc(C[NH2+][C@H]2CS[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414496883 823995422 /nfs/dbraw/zinc/99/54/22/823995422.db2.gz DYVWVIJXTJLZTO-WMLDXEAASA-N 1 0 388.489 4.166 20 5 GIBDRO COc1cccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000192460081 823998757 /nfs/dbraw/zinc/99/87/57/823998757.db2.gz KRYHKCGYKZMDCX-UHFFFAOYSA-N 1 0 383.448 4.232 20 5 GIBDRO COc1cc(C[NH2+]C[C@@H]2CCSC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000575827158 824004979 /nfs/dbraw/zinc/00/49/79/824004979.db2.gz LTUKJDYCXKKGLR-INIZCTEOSA-N 1 0 388.489 4.025 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000575868283 824016511 /nfs/dbraw/zinc/01/65/11/824016511.db2.gz ASUKLJQFKGOTLX-INIZCTEOSA-N 1 0 394.500 4.290 20 5 GIBDRO O=[N+]([O-])c1ccc2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001164623627 719071052 /nfs/dbraw/zinc/07/10/52/719071052.db2.gz KASLHRQILKXKKK-DENIHFKCSA-N 1 0 388.471 4.244 20 5 GIBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001164635681 719198726 /nfs/dbraw/zinc/19/87/26/719198726.db2.gz LGSFFJSQGVOCPF-NWDGAFQWSA-N 1 0 394.834 4.103 20 5 GIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc([N+](=O)[O-])c(C)n4)CC3)CC2)cc1 ZINC001164765954 721042098 /nfs/dbraw/zinc/04/20/98/721042098.db2.gz PUNLPCZCAKOEQJ-UHFFFAOYSA-N 1 0 394.519 4.489 20 5 GIBDRO Cc1ccc(-c2nc3sccc3c(N3CCC[C@@H]([NH+](C)C)C3)n2)cc1[N+](=O)[O-] ZINC001165037172 721896012 /nfs/dbraw/zinc/89/60/12/721896012.db2.gz VYGHUNDQTJXBDW-OAHLLOKOSA-N 1 0 397.504 4.105 20 5 GIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047001 721968032 /nfs/dbraw/zinc/96/80/32/721968032.db2.gz HYPGUAGITXFBOC-CQSZACIVSA-N 1 0 389.887 4.036 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000056197092 823100903 /nfs/dbraw/zinc/10/09/03/823100903.db2.gz VBOSOZKVYZFDLB-RYUDHWBXSA-N 1 0 397.353 4.171 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000187746722 823124333 /nfs/dbraw/zinc/12/43/33/823124333.db2.gz FFVNPRXBZSWKOM-OAHLLOKOSA-N 1 0 375.469 4.121 20 5 GIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326666 823128555 /nfs/dbraw/zinc/12/85/55/823128555.db2.gz GBWPADYARLADKE-MRXNPFEDSA-N 1 0 399.516 4.352 20 5 GIBDRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056373382 823139219 /nfs/dbraw/zinc/13/92/19/823139219.db2.gz HDVZIXISDIOBFG-KRWDZBQOSA-N 1 0 396.491 4.141 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121244322 823146365 /nfs/dbraw/zinc/14/63/65/823146365.db2.gz AYCKNDBGZHJNSQ-QGZVFWFLSA-N 1 0 387.436 4.142 20 5 GIBDRO CSc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000188131253 823191526 /nfs/dbraw/zinc/19/15/26/823191526.db2.gz YDGMPCBUMYZEKW-MRXNPFEDSA-N 1 0 391.537 4.045 20 5 GIBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000571724633 823225455 /nfs/dbraw/zinc/22/54/55/823225455.db2.gz AYPZIVZXPBXFNM-UHFFFAOYSA-N 1 0 385.395 4.134 20 5 GIBDRO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000571730552 823227115 /nfs/dbraw/zinc/22/71/15/823227115.db2.gz HXOXONAOEAFSBN-UHFFFAOYSA-N 1 0 394.475 4.204 20 5 GIBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459680153 823249369 /nfs/dbraw/zinc/24/93/69/823249369.db2.gz UYZVMRIAVLGKQQ-MOPGFXCFSA-N 1 0 378.432 4.413 20 5 GIBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc2ccccc2c2cccnc12 ZINC000057167585 823258091 /nfs/dbraw/zinc/25/80/91/823258091.db2.gz YBOJWAODOWYXBR-UHFFFAOYSA-N 1 0 396.494 4.177 20 5 GIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000121824614 823258459 /nfs/dbraw/zinc/25/84/59/823258459.db2.gz AZGZARKHDNEHSZ-PBHICJAKSA-N 1 0 385.420 4.197 20 5 GIBDRO CCc1nc(C)c([C@H](C)N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000122009789 823292639 /nfs/dbraw/zinc/29/26/39/823292639.db2.gz DAXRHMZBRAGHJL-NSHDSACASA-N 1 0 396.900 4.207 20 5 GIBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007850006 817937164 /nfs/dbraw/zinc/93/71/64/817937164.db2.gz AIMZIOMJLFBLBB-UHFFFAOYSA-N 1 0 387.867 4.164 20 5 GIBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000015550362 818337736 /nfs/dbraw/zinc/33/77/36/818337736.db2.gz UFRWBGZWNFPFSD-FQEVSTJZSA-N 1 0 389.427 4.058 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176939396 823329515 /nfs/dbraw/zinc/32/95/15/823329515.db2.gz NAMFPUWPTYJKNY-AEFFLSMTSA-N 1 0 382.464 4.078 20 5 GIBDRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409865328 823329890 /nfs/dbraw/zinc/32/98/90/823329890.db2.gz RMWDDEPARKPHDF-CYBMUJFWSA-N 1 0 384.461 4.226 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000122426163 823352552 /nfs/dbraw/zinc/35/25/52/823352552.db2.gz DMGQFSHPNBHCIB-GFCCVEGCSA-N 1 0 384.461 4.281 20 5 GIBDRO CCOCCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000122595234 823378682 /nfs/dbraw/zinc/37/86/82/823378682.db2.gz ATZWBQNXEQUVIO-UHFFFAOYSA-N 1 0 375.513 4.140 20 5 GIBDRO C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000023899133 818991969 /nfs/dbraw/zinc/99/19/69/818991969.db2.gz SRUXUIQUPBFODX-MRXNPFEDSA-N 1 0 396.491 4.145 20 5 GIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000024189892 819030990 /nfs/dbraw/zinc/03/09/90/819030990.db2.gz XRSRMAHJHOKGEY-UHFFFAOYSA-N 1 0 395.484 4.335 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000025897965 820036481 /nfs/dbraw/zinc/03/64/81/820036481.db2.gz BTXBTHAPKNTYJP-MRXNPFEDSA-N 1 0 397.475 4.032 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000026230689 820072255 /nfs/dbraw/zinc/07/22/55/820072255.db2.gz JYJFWAFRJSATHC-QFIPXVFZSA-N 1 0 390.443 4.006 20 5 GIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000026345532 820086272 /nfs/dbraw/zinc/08/62/72/820086272.db2.gz RSAKTWSZDQTCLV-MRXNPFEDSA-N 1 0 391.855 4.326 20 5 GIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402559 823454336 /nfs/dbraw/zinc/45/43/36/823454336.db2.gz IIUAZSZSFHJIBL-IRXDYDNUSA-N 1 0 388.468 4.060 20 5 GIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-n2cccn2)cc1 ZINC000573360477 823484330 /nfs/dbraw/zinc/48/43/30/823484330.db2.gz NHBIBYMJSBCYEA-HNNXBMFYSA-N 1 0 375.432 4.155 20 5 GIBDRO COc1ccccc1NC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029907465 820545259 /nfs/dbraw/zinc/54/52/59/820545259.db2.gz DRJVVFVAEHYAJG-OAHLLOKOSA-N 1 0 383.448 4.015 20 5 GIBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000123748657 823536983 /nfs/dbraw/zinc/53/69/83/823536983.db2.gz LMEIFGNPAMRCDL-HNNXBMFYSA-N 1 0 391.537 4.043 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)c3ccccc3Cl)cs2)c1 ZINC000123795269 823541515 /nfs/dbraw/zinc/54/15/15/823541515.db2.gz CYJZXNLRQMIUAQ-KRWDZBQOSA-N 1 0 389.864 4.195 20 5 GIBDRO Cc1c(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000043347676 821395889 /nfs/dbraw/zinc/39/58/89/821395889.db2.gz ILQBTHNQCWIZDM-UHFFFAOYSA-N 1 0 382.464 4.211 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180689568 821396172 /nfs/dbraw/zinc/39/61/72/821396172.db2.gz QYTPZGQCXRELRA-IEBWSBKVSA-N 1 0 394.393 4.258 20 5 GIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000180849840 821494102 /nfs/dbraw/zinc/49/41/02/821494102.db2.gz IETBXUIRYVQVCS-CQSZACIVSA-N 1 0 397.431 4.160 20 5 GIBDRO O=C(NCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000180896122 821521781 /nfs/dbraw/zinc/52/17/81/821521781.db2.gz AWYTWEAQLFMKFX-FQEVSTJZSA-N 1 0 395.484 4.155 20 5 GIBDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181234534 821710822 /nfs/dbraw/zinc/71/08/22/821710822.db2.gz RJZQHHXFQBAWRK-HUUCEWRRSA-N 1 0 391.493 4.077 20 5 GIBDRO CC[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181400559 821807358 /nfs/dbraw/zinc/80/73/58/821807358.db2.gz VLSCIUHAIOWLRP-IRXDYDNUSA-N 1 0 379.254 4.132 20 5 GIBDRO Cc1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000181531155 821869232 /nfs/dbraw/zinc/86/92/32/821869232.db2.gz XLJSRPZENNNNDH-UHFFFAOYSA-N 1 0 397.479 4.069 20 5 GIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000181609163 821901644 /nfs/dbraw/zinc/90/16/44/821901644.db2.gz JQDSKEXQBYIUOE-KRWDZBQOSA-N 1 0 384.476 4.450 20 5 GIBDRO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000181889218 822027915 /nfs/dbraw/zinc/02/79/15/822027915.db2.gz KTYHLKGCSCUHCQ-QGZVFWFLSA-N 1 0 395.381 4.199 20 5 GIBDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000182120303 822103035 /nfs/dbraw/zinc/10/30/35/822103035.db2.gz QBYMVEDFUZAHHW-ZDUSSCGKSA-N 1 0 389.477 4.005 20 5 GIBDRO Cc1ccccc1C(=O)NC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182858669 822380291 /nfs/dbraw/zinc/38/02/91/822380291.db2.gz YSLAHVYKZSSXOV-QGZVFWFLSA-N 1 0 381.476 4.167 20 5 GIBDRO CC[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000183082589 822422455 /nfs/dbraw/zinc/42/24/55/822422455.db2.gz MAKFPPWRJLEHLT-JOCHJYFZSA-N 1 0 383.492 4.362 20 5 GIBDRO CCOc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000183189546 822438365 /nfs/dbraw/zinc/43/83/65/822438365.db2.gz JPTFVRMFJSHUAY-LZLYRXPVSA-N 1 0 375.513 4.297 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000183613267 822501257 /nfs/dbraw/zinc/50/12/57/822501257.db2.gz VQSKNCOLSQDHAP-JTSKRJEESA-N 1 0 384.476 4.318 20 5 GIBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000046723362 822509783 /nfs/dbraw/zinc/50/97/83/822509783.db2.gz GBTXCOUSOGXODB-UHFFFAOYSA-N 1 0 385.445 4.002 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000183776398 822526906 /nfs/dbraw/zinc/52/69/06/822526906.db2.gz UWTYHWFCHZJOLP-NSHDSACASA-N 1 0 395.818 4.075 20 5 GIBDRO C[N@H+](CCCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000454810883 822538689 /nfs/dbraw/zinc/53/86/89/822538689.db2.gz LGICWNZARPSURA-UHFFFAOYSA-N 1 0 398.463 4.383 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454940604 822560548 /nfs/dbraw/zinc/56/05/48/822560548.db2.gz IVVMPPBKGWEFLP-INIZCTEOSA-N 1 0 396.491 4.197 20 5 GIBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000179831986 822562277 /nfs/dbraw/zinc/56/22/77/822562277.db2.gz LOUZLEHYQHJSAM-UHFFFAOYSA-N 1 0 375.494 4.004 20 5 GIBDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455236234 822614687 /nfs/dbraw/zinc/61/46/87/822614687.db2.gz YAQWJUZRUHZSFP-LJQANCHMSA-N 1 0 396.491 4.110 20 5 GIBDRO COc1ccc2oc([C@H](C)[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184339378 822618340 /nfs/dbraw/zinc/61/83/40/822618340.db2.gz HZKDKNCAKBLZQP-AWEZNQCLSA-N 1 0 397.431 4.337 20 5 GIBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000184478273 822642972 /nfs/dbraw/zinc/64/29/72/822642972.db2.gz ODTSJGDLKFRCBM-UHFFFAOYSA-N 1 0 396.491 4.340 20 5 GIBDRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184628675 822668186 /nfs/dbraw/zinc/66/81/86/822668186.db2.gz NGBYRTFRTJEIPR-RYRKJORJSA-N 1 0 399.466 4.007 20 5 GIBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3cc([N+](=O)[O-])ccc3C)oc21 ZINC000180357064 822669699 /nfs/dbraw/zinc/66/96/99/822669699.db2.gz HQWKLMMLAIRZLG-CQSZACIVSA-N 1 0 397.431 4.337 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000180418662 822678191 /nfs/dbraw/zinc/67/81/91/822678191.db2.gz UWVYPEBWYCKBDV-HNNXBMFYSA-N 1 0 380.448 4.245 20 5 GIBDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180422988 822679015 /nfs/dbraw/zinc/67/90/15/822679015.db2.gz ZCASJQQWVULZFN-KBPBESRZSA-N 1 0 375.856 4.118 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)s2)cc1 ZINC000180453134 822685056 /nfs/dbraw/zinc/68/50/56/822685056.db2.gz LJQPETGVJCPLRC-FUHWJXTLSA-N 1 0 376.503 4.030 20 5 GIBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C1CC[NH+](C)CC1 ZINC000184781104 822689988 /nfs/dbraw/zinc/68/99/88/822689988.db2.gz WXWKAAGUUKTSGD-UHFFFAOYSA-N 1 0 391.537 4.043 20 5 GIBDRO Cc1sc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000184947081 822716983 /nfs/dbraw/zinc/71/69/83/822716983.db2.gz KJMPFJGZCFZWOJ-NSHDSACASA-N 1 0 391.884 4.227 20 5 GIBDRO C[NH+](C)Cc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000050313452 822725019 /nfs/dbraw/zinc/72/50/19/822725019.db2.gz VMZTXEYNHVKCSF-UHFFFAOYSA-N 1 0 382.445 4.032 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000455904260 822745789 /nfs/dbraw/zinc/74/57/89/822745789.db2.gz GXGZQNIQJZYJHW-LJQANCHMSA-N 1 0 382.464 4.201 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000455904259 822745798 /nfs/dbraw/zinc/74/57/98/822745798.db2.gz GXGZQNIQJZYJHW-IBGZPJMESA-N 1 0 382.464 4.201 20 5 GIBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000456693993 822823470 /nfs/dbraw/zinc/82/34/70/822823470.db2.gz HENYKSSNCCFFDT-UHFFFAOYSA-N 1 0 395.459 4.134 20 5 GIBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000185940135 822835456 /nfs/dbraw/zinc/83/54/56/822835456.db2.gz FNAAJSWOUJONHQ-LBPRGKRZSA-N 1 0 375.372 4.190 20 5 GIBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186044605 822846751 /nfs/dbraw/zinc/84/67/51/822846751.db2.gz BUAFKALONSJYBW-NRFANRHFSA-N 1 0 378.432 4.242 20 5 GIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103074 822938487 /nfs/dbraw/zinc/93/84/87/822938487.db2.gz DDBZJZKDEBVGTF-AWEZNQCLSA-N 1 0 394.431 4.291 20 5 GIBDRO CC(C)(C)OCc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000186820585 822961122 /nfs/dbraw/zinc/96/11/22/822961122.db2.gz REOGVLGZTMUAMD-BEFAXECRSA-N 1 0 387.480 4.399 20 5 GIBDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000570465960 823041510 /nfs/dbraw/zinc/04/15/10/823041510.db2.gz WUWZRHIEWKRFDP-UHFFFAOYSA-N 1 0 383.492 4.413 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000460938422 823546640 /nfs/dbraw/zinc/54/66/40/823546640.db2.gz QGUSAWKGKQXNSD-UHFFFAOYSA-N 1 0 381.476 4.209 20 5 GIBDRO C[N@H+](Cc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000460954790 823549874 /nfs/dbraw/zinc/54/98/74/823549874.db2.gz AFPRTGUOQRVZSE-UHFFFAOYSA-N 1 0 395.503 4.218 20 5 GIBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000061028813 823574096 /nfs/dbraw/zinc/57/40/96/823574096.db2.gz LYBLAKOIDUTEJN-UHFFFAOYSA-N 1 0 378.428 4.472 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000411468109 823578272 /nfs/dbraw/zinc/57/82/72/823578272.db2.gz FXGRIUPYIQGTEO-UHFFFAOYSA-N 1 0 391.855 4.110 20 5 GIBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000190555882 823586008 /nfs/dbraw/zinc/58/60/08/823586008.db2.gz XONRILHDGJMMDN-UHFFFAOYSA-N 1 0 378.432 4.237 20 5 GIBDRO Cc1cccc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000061503690 823600234 /nfs/dbraw/zinc/60/02/34/823600234.db2.gz DLVOQYLZCTZFPT-UHFFFAOYSA-N 1 0 381.476 4.209 20 5 GIBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000461274337 823610625 /nfs/dbraw/zinc/61/06/25/823610625.db2.gz XFLRZHOBLDQBPO-QGZVFWFLSA-N 1 0 397.475 4.334 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000124835338 823629674 /nfs/dbraw/zinc/62/96/74/823629674.db2.gz GNRBTICVLHRXTL-OLZOCXBDSA-N 1 0 391.855 4.325 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000124836008 823629906 /nfs/dbraw/zinc/62/99/06/823629906.db2.gz GNRBTICVLHRXTL-QWHCGFSZSA-N 1 0 391.855 4.325 20 5 GIBDRO C[C@@H](CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[NH+](C)C ZINC000412393436 823652394 /nfs/dbraw/zinc/65/23/94/823652394.db2.gz IWLKJKXMGLAWGB-LBPRGKRZSA-N 1 0 393.896 4.079 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2csc(Br)c2)C2CC2)c1 ZINC000125222522 823660215 /nfs/dbraw/zinc/66/02/15/823660215.db2.gz NGEJVGVIRZYVJT-OAHLLOKOSA-N 1 0 397.294 4.117 20 5 GIBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000191369924 823677652 /nfs/dbraw/zinc/67/76/52/823677652.db2.gz VKZUXBLWZSURGX-QWHCGFSZSA-N 1 0 383.404 4.027 20 5 GIBDRO CCC[NH+](CCC)CCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000461696591 823683019 /nfs/dbraw/zinc/68/30/19/823683019.db2.gz CKFZOPKIYMNZMF-IBGZPJMESA-N 1 0 379.526 4.071 20 5 GIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(-n2cc(Cl)cn2)n1 ZINC000191529330 823695918 /nfs/dbraw/zinc/69/59/18/823695918.db2.gz ABMXZXXSDVBHQM-AWEZNQCLSA-N 1 0 385.855 4.297 20 5 GIBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000413029080 823700480 /nfs/dbraw/zinc/70/04/80/823700480.db2.gz FJQUAJOCRKYZNQ-UHFFFAOYSA-N 1 0 380.370 4.217 20 5 GIBDRO COc1cccc(-c2noc([C@@H](C)[NH2+][C@H](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000191565813 823700786 /nfs/dbraw/zinc/70/07/86/823700786.db2.gz CPWKJKATJIZXIA-HUUCEWRRSA-N 1 0 396.447 4.325 20 5 GIBDRO O=[N+]([O-])c1ccc2ccnc(NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)c2c1 ZINC000413274925 823743370 /nfs/dbraw/zinc/74/33/70/823743370.db2.gz XBHOYDXIGYYKTF-UHFFFAOYSA-N 1 0 394.397 4.360 20 5 GIBDRO COCCO[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000574827063 823835782 /nfs/dbraw/zinc/83/57/82/823835782.db2.gz OIANGEKNSKZKIS-HNNXBMFYSA-N 1 0 394.855 4.136 20 5 GIBDRO CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCc2ccccc2C1 ZINC000064632515 823855608 /nfs/dbraw/zinc/85/56/08/823855608.db2.gz NXMWRFVZBOBVFZ-IBGZPJMESA-N 1 0 392.459 4.414 20 5 GIBDRO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000064940825 823916151 /nfs/dbraw/zinc/91/61/51/823916151.db2.gz MREKOALTRNFBFC-CQSZACIVSA-N 1 0 381.432 4.413 20 5 GIBDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000126637248 823916929 /nfs/dbraw/zinc/91/69/29/823916929.db2.gz XPYQTHUDHRZSLN-GFCCVEGCSA-N 1 0 381.354 4.121 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000575239021 823949149 /nfs/dbraw/zinc/94/91/49/823949149.db2.gz CVZYMLLDOHJDQT-UHFFFAOYSA-N 1 0 396.491 4.376 20 5 GIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000065140794 823950624 /nfs/dbraw/zinc/95/06/24/823950624.db2.gz PPGHPEOWZCPSJI-RHSMWYFYSA-N 1 0 395.484 4.375 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCCc4c(O)cccc43)o2)c1 ZINC000192366331 823959917 /nfs/dbraw/zinc/95/99/17/823959917.db2.gz IYIVXSIJEYDCFK-GOSISDBHSA-N 1 0 379.416 4.165 20 5 GIBDRO CC(C)Oc1ccc([C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000576022543 824051454 /nfs/dbraw/zinc/05/14/54/824051454.db2.gz KCHFHHNXBWPHPP-FGBWHXJSSA-N 1 0 383.492 4.288 20 5 GIBDRO O=[N+]([O-])c1cccc2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc21 ZINC001164619868 719075866 /nfs/dbraw/zinc/07/58/66/719075866.db2.gz CSJKCHITXURAFO-XMSQKQJNSA-N 1 0 388.471 4.244 20 5 GIBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164630876 719093325 /nfs/dbraw/zinc/09/33/25/719093325.db2.gz WZXZXQPQNCSPRQ-UGKGYDQZSA-N 1 0 388.471 4.244 20 5 GIBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000570585769 823057751 /nfs/dbraw/zinc/05/77/51/823057751.db2.gz NRGFCINSXWRANM-KRWDZBQOSA-N 1 0 382.382 4.463 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120872323 823080011 /nfs/dbraw/zinc/08/00/11/823080011.db2.gz MLJHQGHQVZRQCW-INIZCTEOSA-N 1 0 382.395 4.164 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 ZINC000056197408 823101204 /nfs/dbraw/zinc/10/12/04/823101204.db2.gz JDHCMZSLWHETCO-NWDGAFQWSA-N 1 0 392.253 4.035 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000056399626 823143382 /nfs/dbraw/zinc/14/33/82/823143382.db2.gz QNMQILQYSMASJH-KSSFIOAISA-N 1 0 390.509 4.100 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccsc1 ZINC000188052903 823178129 /nfs/dbraw/zinc/17/81/29/823178129.db2.gz GPJCTJAWSSLFTL-HNNXBMFYSA-N 1 0 393.534 4.191 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000571568394 823201631 /nfs/dbraw/zinc/20/16/31/823201631.db2.gz LGDDDEYLHQPHRX-QFIPXVFZSA-N 1 0 397.475 4.453 20 5 GIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176602369 823246081 /nfs/dbraw/zinc/24/60/81/823246081.db2.gz HPFBOQDQQOFLEA-CQSZACIVSA-N 1 0 387.867 4.204 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000460112507 823286658 /nfs/dbraw/zinc/28/66/58/823286658.db2.gz TUIIEQQBRDERMP-HKUYNNGSSA-N 1 0 381.476 4.028 20 5 GIBDRO CCc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000122009585 823292565 /nfs/dbraw/zinc/29/25/65/823292565.db2.gz DAXRHMZBRAGHJL-LLVKDONJSA-N 1 0 396.900 4.207 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000011708054 818110696 /nfs/dbraw/zinc/11/06/96/818110696.db2.gz QEAPTIWSCOXLCJ-CHWSQXEVSA-N 1 0 391.855 4.325 20 5 GIBDRO COc1ccc(C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C2CC2)cc1 ZINC000057601218 823313560 /nfs/dbraw/zinc/31/35/60/823313560.db2.gz DCKBIAWMJWAXDF-MRXNPFEDSA-N 1 0 397.475 4.151 20 5 GIBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCCC1 ZINC000015128624 818293481 /nfs/dbraw/zinc/29/34/81/818293481.db2.gz ZTMSDZFWOPUGGY-NRFANRHFSA-N 1 0 392.459 4.401 20 5 GIBDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000572558252 823360557 /nfs/dbraw/zinc/36/05/57/823360557.db2.gz ZLGURFDWJVDPLY-LPHOPBHVSA-N 1 0 378.476 4.044 20 5 GIBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000460379455 823369852 /nfs/dbraw/zinc/36/98/52/823369852.db2.gz QYTPARNCQXAUOZ-UHFFFAOYSA-N 1 0 387.505 4.160 20 5 GIBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000023739013 818977350 /nfs/dbraw/zinc/97/73/50/818977350.db2.gz IGPYXJRVZGZDIA-SFHVURJKSA-N 1 0 395.484 4.376 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000023994731 819004291 /nfs/dbraw/zinc/00/42/91/819004291.db2.gz OWNHXSKWTCFYHO-NEPJUHHUSA-N 1 0 392.253 4.035 20 5 GIBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)[NH+]2CCCC2)cc1 ZINC000024057863 819017048 /nfs/dbraw/zinc/01/70/48/819017048.db2.gz VSEGMUAYSLSXEO-OAQYLSRUSA-N 1 0 392.459 4.401 20 5 GIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189298052 823389665 /nfs/dbraw/zinc/38/96/65/823389665.db2.gz XZHFKJJXGNIFMR-HNNXBMFYSA-N 1 0 378.432 4.369 20 5 GIBDRO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025216192 819944034 /nfs/dbraw/zinc/94/40/34/819944034.db2.gz XWJOAJLMFLFZQE-BXUZGUMPSA-N 1 0 391.880 4.402 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000410332058 823465859 /nfs/dbraw/zinc/46/58/59/823465859.db2.gz CNWFDWZILCHXNO-UHFFFAOYSA-N 1 0 396.491 4.457 20 5 GIBDRO Cc1c(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000410363613 823475067 /nfs/dbraw/zinc/47/50/67/823475067.db2.gz GLZDXISZRBWYEY-MRXNPFEDSA-N 1 0 396.491 4.457 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+]CC2(c3ccccc3)CCCC2)cccc1[N+](=O)[O-] ZINC000029711105 820503082 /nfs/dbraw/zinc/50/30/82/820503082.db2.gz BDOAGIXPLSXQKX-KRWDZBQOSA-N 1 0 381.476 4.332 20 5 GIBDRO COc1ccc(C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)cc1[N+](=O)[O-] ZINC000189800987 823496811 /nfs/dbraw/zinc/49/68/11/823496811.db2.gz QYNXKYFCQRNVTB-UHFFFAOYSA-N 1 0 381.432 4.433 20 5 GIBDRO Cc1nc([C@H]2CCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000189855944 823506608 /nfs/dbraw/zinc/50/66/08/823506608.db2.gz JCZRTFMWGKQDAJ-QGZVFWFLSA-N 1 0 384.461 4.394 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccccc1Cl ZINC000032317628 820913992 /nfs/dbraw/zinc/91/39/92/820913992.db2.gz ASCUXTLRGJDVAW-GOSISDBHSA-N 1 0 389.883 4.370 20 5 GIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000190039926 823529696 /nfs/dbraw/zinc/52/96/96/823529696.db2.gz XMNBHTZEVKCSGL-KBPBESRZSA-N 1 0 384.411 4.456 20 5 GIBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342679 821395357 /nfs/dbraw/zinc/39/53/57/821395357.db2.gz WMAHEVPJUCXOBA-UHFFFAOYSA-N 1 0 388.855 4.166 20 5 GIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000180688797 821395716 /nfs/dbraw/zinc/39/57/16/821395716.db2.gz QXAPKWVWIWGSGD-UGSOOPFHSA-N 1 0 382.382 4.258 20 5 GIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000180688833 821395781 /nfs/dbraw/zinc/39/57/81/821395781.db2.gz QXAPKWVWIWGSGD-SCLBCKFNSA-N 1 0 382.382 4.258 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180689516 821396104 /nfs/dbraw/zinc/39/61/04/821396104.db2.gz QYTPZGQCXRELRA-HKUYNNGSSA-N 1 0 394.393 4.258 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180689534 821396208 /nfs/dbraw/zinc/39/62/08/821396208.db2.gz QYTPZGQCXRELRA-MJGOQNOKSA-N 1 0 394.393 4.258 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181284578 821735010 /nfs/dbraw/zinc/73/50/10/821735010.db2.gz SGLTUXBFHUAKKI-HZPDHXFCSA-N 1 0 390.443 4.335 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181362313 821787711 /nfs/dbraw/zinc/78/77/11/821787711.db2.gz ZODGLJDEEBXWSC-MRXNPFEDSA-N 1 0 397.475 4.360 20 5 GIBDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181444740 821828904 /nfs/dbraw/zinc/82/89/04/821828904.db2.gz KXDKQDJVEWQHFF-NSHDSACASA-N 1 0 391.884 4.227 20 5 GIBDRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000181502558 821856596 /nfs/dbraw/zinc/85/65/96/821856596.db2.gz SPNGUIHGSAFHHL-KRWDZBQOSA-N 1 0 395.381 4.199 20 5 GIBDRO CCN(C[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1)CC(F)(F)F ZINC000181520774 821864867 /nfs/dbraw/zinc/86/48/67/821864867.db2.gz IGEZCUUNWFPDGP-CQSZACIVSA-N 1 0 396.413 4.162 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCc2nccn2C)cc1 ZINC000178684898 822402983 /nfs/dbraw/zinc/40/29/83/822402983.db2.gz SPGBYKCCUSYAEV-HZPDHXFCSA-N 1 0 380.448 4.319 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000178730003 822405952 /nfs/dbraw/zinc/40/59/52/822405952.db2.gz URADUTYSNOECIK-LBPRGKRZSA-N 1 0 384.354 4.395 20 5 GIBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000178833784 822414988 /nfs/dbraw/zinc/41/49/88/822414988.db2.gz HKRFMNFVSJFGPC-SJPCQFCGSA-N 1 0 393.459 4.096 20 5 GIBDRO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000183210836 822442378 /nfs/dbraw/zinc/44/23/78/822442378.db2.gz WXFNPEHNVKTEEW-OAHLLOKOSA-N 1 0 385.439 4.114 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000179281016 822460670 /nfs/dbraw/zinc/46/06/70/822460670.db2.gz PWGAJSJHHFTJMM-UHFFFAOYSA-N 1 0 399.516 4.233 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000183455372 822477498 /nfs/dbraw/zinc/47/74/98/822477498.db2.gz SBVPMYSBASYORZ-UHFFFAOYSA-N 1 0 390.365 4.398 20 5 GIBDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1)c1ccccc1 ZINC000183457255 822477657 /nfs/dbraw/zinc/47/76/57/822477657.db2.gz FMVDVBSUHQGBAN-JOCHJYFZSA-N 1 0 395.503 4.178 20 5 GIBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000454519895 822490385 /nfs/dbraw/zinc/49/03/85/822490385.db2.gz OUHLOPRHPCHJNM-DLBZAZTESA-N 1 0 396.491 4.181 20 5 GIBDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454597507 822503581 /nfs/dbraw/zinc/50/35/81/822503581.db2.gz OFGYKTVBGZEBJG-ZWOKBUDYSA-N 1 0 396.491 4.008 20 5 GIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000179778981 822551226 /nfs/dbraw/zinc/55/12/26/822551226.db2.gz QCFHINUHMFUYPB-QGZVFWFLSA-N 1 0 379.464 4.141 20 5 GIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000179778970 822551242 /nfs/dbraw/zinc/55/12/42/822551242.db2.gz QCFHINUHMFUYPB-KRWDZBQOSA-N 1 0 379.464 4.141 20 5 GIBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])cc1F ZINC000184240272 822601317 /nfs/dbraw/zinc/60/13/17/822601317.db2.gz BBIQVSIWSHRURG-ZDUSSCGKSA-N 1 0 385.395 4.263 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184501603 822646488 /nfs/dbraw/zinc/64/64/88/822646488.db2.gz XLYPQSGCTKQLSL-ZDUSSCGKSA-N 1 0 390.509 4.337 20 5 GIBDRO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000184530024 822651864 /nfs/dbraw/zinc/65/18/64/822651864.db2.gz OFXFVRGQXKOFQD-SFTDATJTSA-N 1 0 385.439 4.268 20 5 GIBDRO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000180373077 822671612 /nfs/dbraw/zinc/67/16/12/822671612.db2.gz YILHFIIIYOPIQC-AZUAARDMSA-N 1 0 386.496 4.069 20 5 GIBDRO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000180373038 822671623 /nfs/dbraw/zinc/67/16/23/822671623.db2.gz YILHFIIIYOPIQC-UYAOXDASSA-N 1 0 386.496 4.069 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180401353 822675777 /nfs/dbraw/zinc/67/57/77/822675777.db2.gz HCMARLIWIXFCSY-MRXNPFEDSA-N 1 0 379.416 4.072 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000180407583 822676651 /nfs/dbraw/zinc/67/66/51/822676651.db2.gz RUHFICDPYVZKTQ-KRWDZBQOSA-N 1 0 381.476 4.380 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)cc1 ZINC000180416665 822678042 /nfs/dbraw/zinc/67/80/42/822678042.db2.gz WPIHWKFVXQDSTR-MRXNPFEDSA-N 1 0 377.238 4.361 20 5 GIBDRO COCCC1(C[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000184722954 822682081 /nfs/dbraw/zinc/68/20/81/822682081.db2.gz HDAHFECKCJJWQP-CQSZACIVSA-N 1 0 397.903 4.152 20 5 GIBDRO CN(C(=O)C[NH2+][C@H](Cc1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000184997649 822723385 /nfs/dbraw/zinc/72/33/85/822723385.db2.gz MBMVOLSGWCFUFK-LJQANCHMSA-N 1 0 395.484 4.193 20 5 GIBDRO C[NH+](C)Cc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050574356 822733830 /nfs/dbraw/zinc/73/38/30/822733830.db2.gz QLLGQIXALQMKAR-UHFFFAOYSA-N 1 0 382.445 4.032 20 5 GIBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174474384 822794860 /nfs/dbraw/zinc/79/48/60/822794860.db2.gz LUXYECOFWKBPFO-LJQANCHMSA-N 1 0 396.491 4.279 20 5 GIBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)n1 ZINC000052861593 822813168 /nfs/dbraw/zinc/81/31/68/822813168.db2.gz JPYBORFYNWBKQA-MRXNPFEDSA-N 1 0 375.428 4.017 20 5 GIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456682853 822822316 /nfs/dbraw/zinc/82/23/16/822822316.db2.gz LIFRXEMQFBAYII-UHFFFAOYSA-N 1 0 391.537 4.090 20 5 GIBDRO CSc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000186257687 822865876 /nfs/dbraw/zinc/86/58/76/822865876.db2.gz CSENULQXFBLECA-UHFFFAOYSA-N 1 0 385.489 4.207 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000055151856 822941031 /nfs/dbraw/zinc/94/10/31/822941031.db2.gz NLLXPNMNSUEPAK-HOTGVXAUSA-N 1 0 385.464 4.368 20 5 GIBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175360121 822945798 /nfs/dbraw/zinc/94/57/98/822945798.db2.gz BTWXKTHZFJXIGO-UHFFFAOYSA-N 1 0 398.507 4.170 20 5 GIBDRO CC(C)(C)OCc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000186820625 822961102 /nfs/dbraw/zinc/96/11/02/822961102.db2.gz REOGVLGZTMUAMD-KXBFYZLASA-N 1 0 387.480 4.399 20 5 GIBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000458164588 822964183 /nfs/dbraw/zinc/96/41/83/822964183.db2.gz KFUOEBATXFVZEY-INIZCTEOSA-N 1 0 399.516 4.208 20 5 GIBDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000186856961 822968847 /nfs/dbraw/zinc/96/88/47/822968847.db2.gz ANAHAWUMBIOPJI-CQSZACIVSA-N 1 0 396.534 4.189 20 5 GIBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1C[NH+](C)C ZINC000458265983 822975554 /nfs/dbraw/zinc/97/55/54/822975554.db2.gz NZDCCYMRWJISEZ-UHFFFAOYSA-N 1 0 381.354 4.236 20 5 GIBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060579673 823544405 /nfs/dbraw/zinc/54/44/05/823544405.db2.gz LTBDFKKBJHOVGE-UHFFFAOYSA-N 1 0 387.505 4.148 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000411120986 823549767 /nfs/dbraw/zinc/54/97/67/823549767.db2.gz RTOOLLYBMJJGGF-AWEZNQCLSA-N 1 0 397.431 4.371 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000411185381 823555302 /nfs/dbraw/zinc/55/53/02/823555302.db2.gz WGNOUAFFXBAYDH-IBGZPJMESA-N 1 0 383.448 4.078 20 5 GIBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000461025485 823561158 /nfs/dbraw/zinc/56/11/58/823561158.db2.gz DNUMHOGPKWEKPQ-OAHLLOKOSA-N 1 0 387.505 4.205 20 5 GIBDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000124215520 823578166 /nfs/dbraw/zinc/57/81/66/823578166.db2.gz YSULAVJFAXXUTB-OAQYLSRUSA-N 1 0 392.459 4.341 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503411 823600255 /nfs/dbraw/zinc/60/02/55/823600255.db2.gz YWMGYRKCNLWURC-UHFFFAOYSA-N 1 0 381.476 4.209 20 5 GIBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000412201669 823635172 /nfs/dbraw/zinc/63/51/72/823635172.db2.gz JTIBXERQPODMGZ-RBUKOAKNSA-N 1 0 379.460 4.309 20 5 GIBDRO Cc1sc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000063679441 823688965 /nfs/dbraw/zinc/68/89/65/823688965.db2.gz UWTYARKDAAAWHC-UHFFFAOYSA-N 1 0 387.505 4.271 20 5 GIBDRO C[NH+](C)CCc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000125699532 823698024 /nfs/dbraw/zinc/69/80/24/823698024.db2.gz HUXYTPYNQYULFF-UHFFFAOYSA-N 1 0 382.489 4.435 20 5 GIBDRO CCOC(=O)c1csc(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000191567211 823701016 /nfs/dbraw/zinc/70/10/16/823701016.db2.gz CEJMNNLKZFYYPV-ZDUSSCGKSA-N 1 0 389.477 4.169 20 5 GIBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413142900 823714613 /nfs/dbraw/zinc/71/46/13/823714613.db2.gz OGUWFPIBNDEJMK-UONOGXRCSA-N 1 0 386.418 4.099 20 5 GIBDRO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000191630891 823719062 /nfs/dbraw/zinc/71/90/62/823719062.db2.gz NMJJJSBQILPWKK-UHFFFAOYSA-N 1 0 381.476 4.113 20 5 GIBDRO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000574404376 823720676 /nfs/dbraw/zinc/72/06/76/823720676.db2.gz OQSSRKITHIZAEK-HNNXBMFYSA-N 1 0 384.402 4.057 20 5 GIBDRO COc1ccc(CCC[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000125887901 823737755 /nfs/dbraw/zinc/73/77/55/823737755.db2.gz SSGFFCXBNYSMCO-HNNXBMFYSA-N 1 0 396.447 4.279 20 5 GIBDRO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000064141776 823754082 /nfs/dbraw/zinc/75/40/82/823754082.db2.gz RALAIYMQJMFLBS-CQSZACIVSA-N 1 0 377.391 4.079 20 5 GIBDRO COc1ccc(NC(=O)CC[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000574542746 823760180 /nfs/dbraw/zinc/76/01/80/823760180.db2.gz HWICNSBACZPCTE-SFHVURJKSA-N 1 0 389.477 4.077 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000126059194 823777392 /nfs/dbraw/zinc/77/73/92/823777392.db2.gz WKYFMBSUYITEHE-INIZCTEOSA-N 1 0 377.238 4.361 20 5 GIBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000462117081 823833835 /nfs/dbraw/zinc/83/38/35/823833835.db2.gz BGXLSVFPKNODGY-HXUWFJFHSA-N 1 0 385.464 4.251 20 5 GIBDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000574834891 823837853 /nfs/dbraw/zinc/83/78/53/823837853.db2.gz RQTMAUIZQRNHNU-ZYSHUDEJSA-N 1 0 399.495 4.049 20 5 GIBDRO COc1cc(F)c([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC ZINC000574840141 823839599 /nfs/dbraw/zinc/83/95/99/823839599.db2.gz NUPAKLFCFWHBCN-LBPRGKRZSA-N 1 0 387.411 4.126 20 5 GIBDRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000064631586 823854639 /nfs/dbraw/zinc/85/46/39/823854639.db2.gz AJQFCXNTXBIJND-UHFFFAOYSA-N 1 0 397.475 4.084 20 5 GIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000126391454 823855051 /nfs/dbraw/zinc/85/50/51/823855051.db2.gz MZGVPEKIMATRJX-IRXDYDNUSA-N 1 0 396.491 4.181 20 5 GIBDRO CCn1cc[nH+]c1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000414304790 823954522 /nfs/dbraw/zinc/95/45/22/823954522.db2.gz QZSSMLQFQMTJJF-UHFFFAOYSA-N 1 0 382.420 4.011 20 5 GIBDRO COc1ccc(C[NH2+][C@@H]2CS[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414495469 823995277 /nfs/dbraw/zinc/99/52/77/823995277.db2.gz BPGCKNDTWAJGJL-PBHICJAKSA-N 1 0 388.489 4.166 20 5 GIBDRO CC(C)[C@H]1[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC12CCOCC2 ZINC000414538568 824005249 /nfs/dbraw/zinc/00/52/49/824005249.db2.gz MHEZQOIATZLNAF-GOSISDBHSA-N 1 0 387.505 4.355 20 5 GIBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000414549889 824009188 /nfs/dbraw/zinc/00/91/88/824009188.db2.gz MCQRYXAEGPWMDU-QGZVFWFLSA-N 1 0 399.516 4.300 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)s1 ZINC000171049741 824047423 /nfs/dbraw/zinc/04/74/23/824047423.db2.gz SINXLYBDHXEAJL-UHFFFAOYSA-N 1 0 391.456 4.194 20 5 GIBDRO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000072006530 222202919 /nfs/dbraw/zinc/20/29/19/222202919.db2.gz XQCOZCADISXQCX-OAQYLSRUSA-N 1 0 381.476 4.106 20 5 GIBDRO C[NH+](C)[C@H]1CCCN(c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])C1 ZINC001165040662 721891397 /nfs/dbraw/zinc/89/13/97/721891397.db2.gz ZYCXPIKFSLQWST-LBPRGKRZSA-N 1 0 394.834 4.105 20 5 GIBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993239 722195067 /nfs/dbraw/zinc/19/50/67/722195067.db2.gz DFUQTJKRZLRUHE-IBGZPJMESA-N 1 0 390.846 4.027 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)c2ccccc2Cl)o1 ZINC000570718495 823075400 /nfs/dbraw/zinc/07/54/00/823075400.db2.gz DUFMXYPWGADVID-CQSZACIVSA-N 1 0 386.835 4.374 20 5 GIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000056196775 823100790 /nfs/dbraw/zinc/10/07/90/823100790.db2.gz HKSGGEBYVJPXEO-RYUDHWBXSA-N 1 0 381.354 4.291 20 5 GIBDRO CCOc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1OC(F)F ZINC000570985793 823115955 /nfs/dbraw/zinc/11/59/55/823115955.db2.gz OIDXADUKWFHVHZ-OAHLLOKOSA-N 1 0 378.375 4.372 20 5 GIBDRO CC(C)c1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000187720405 823119770 /nfs/dbraw/zinc/11/97/70/823119770.db2.gz ROWRHSVDTNEUJQ-UHFFFAOYSA-N 1 0 395.503 4.455 20 5 GIBDRO CC[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187743054 823123667 /nfs/dbraw/zinc/12/36/67/823123667.db2.gz GXXUXKKHNFFFBV-SFHVURJKSA-N 1 0 375.469 4.203 20 5 GIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc(O)cc(C(F)(F)F)c3)c2c1 ZINC000571210297 823148946 /nfs/dbraw/zinc/14/89/46/823148946.db2.gz BYYQOFDVQLWBON-UHFFFAOYSA-N 1 0 379.338 4.133 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188326979 823219910 /nfs/dbraw/zinc/21/99/10/823219910.db2.gz HOJBKPVSQNTAPS-UHFFFAOYSA-N 1 0 393.553 4.291 20 5 GIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCc4[nH]c(=O)ccc43)o2)c([N+](=O)[O-])c1 ZINC000409480928 823230903 /nfs/dbraw/zinc/23/09/03/823230903.db2.gz YLEIBURXVMOYTO-QGZVFWFLSA-N 1 0 395.415 4.131 20 5 GIBDRO CCOc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000176643957 823256265 /nfs/dbraw/zinc/25/62/65/823256265.db2.gz GGTBIDQXVQPQBA-KRWDZBQOSA-N 1 0 399.491 4.305 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000460112511 823286729 /nfs/dbraw/zinc/28/67/29/823286729.db2.gz TUIIEQQBRDERMP-IEBWSBKVSA-N 1 0 381.476 4.028 20 5 GIBDRO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016483715 818448607 /nfs/dbraw/zinc/44/86/07/818448607.db2.gz UFQXIJDYBZLBBD-INIZCTEOSA-N 1 0 375.428 4.301 20 5 GIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)o2)c([N+](=O)[O-])c1 ZINC000572444849 823340583 /nfs/dbraw/zinc/34/05/83/823340583.db2.gz HRCXZCFSQQNJNF-VLCRHTCISA-N 1 0 376.412 4.291 20 5 GIBDRO O=C(Nc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)C1CCC1 ZINC000122408379 823350235 /nfs/dbraw/zinc/35/02/35/823350235.db2.gz VXHCAXDFTZYPSX-OAQYLSRUSA-N 1 0 393.487 4.444 20 5 GIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023738920 818977160 /nfs/dbraw/zinc/97/71/60/818977160.db2.gz JLIRZHCBBNGUSN-OXJNMPFZSA-N 1 0 399.516 4.029 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023994729 819004432 /nfs/dbraw/zinc/00/44/32/819004432.db2.gz OWNHXSKWTCFYHO-VXGBXAGGSA-N 1 0 392.253 4.035 20 5 GIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(-c3cccnc3)c2)n1 ZINC000572689527 823383616 /nfs/dbraw/zinc/38/36/16/823383616.db2.gz UDMVTSMLHRPVKH-PMACEKPBSA-N 1 0 377.448 4.127 20 5 GIBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122768350 823408911 /nfs/dbraw/zinc/40/89/11/823408911.db2.gz RSGDTMNHIXEHPG-IFXJQAMLSA-N 1 0 376.478 4.071 20 5 GIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000177359523 823444535 /nfs/dbraw/zinc/44/45/35/823444535.db2.gz JIZJBFAGSXKEFB-UHFFFAOYSA-N 1 0 399.494 4.163 20 5 GIBDRO COc1ccc2cc(C[N@H+](C)CCC(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000026259819 820076531 /nfs/dbraw/zinc/07/65/31/820076531.db2.gz FMHDJOMHYFAOQP-UHFFFAOYSA-N 1 0 393.443 4.217 20 5 GIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000573141423 823454362 /nfs/dbraw/zinc/45/43/62/823454362.db2.gz GKAFOGBCZORSCD-QFIPXVFZSA-N 1 0 397.475 4.453 20 5 GIBDRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000410333404 823465761 /nfs/dbraw/zinc/46/57/61/823465761.db2.gz OQHDIRGLQSLDLO-UHFFFAOYSA-N 1 0 382.464 4.148 20 5 GIBDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000123128260 823466975 /nfs/dbraw/zinc/46/69/75/823466975.db2.gz IPTKUCOISBZMAA-MRXNPFEDSA-N 1 0 384.480 4.362 20 5 GIBDRO NC(=O)c1ccc(C[NH+]2CCC(c3cccc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000058973994 823477749 /nfs/dbraw/zinc/47/77/49/823477749.db2.gz QDSORLOWLXMUNE-UHFFFAOYSA-N 1 0 389.455 4.227 20 5 GIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000573373830 823486157 /nfs/dbraw/zinc/48/61/57/823486157.db2.gz KRNRNBYOVDZBAY-HNNXBMFYSA-N 1 0 393.553 4.145 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000460714166 823492373 /nfs/dbraw/zinc/49/23/73/823492373.db2.gz NZZHHOBVWMIXGX-QGZVFWFLSA-N 1 0 381.476 4.208 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000031987604 820884824 /nfs/dbraw/zinc/88/48/24/820884824.db2.gz NASFZPUBINTXLP-MRXNPFEDSA-N 1 0 381.885 4.123 20 5 GIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000190064722 823532898 /nfs/dbraw/zinc/53/28/98/823532898.db2.gz DKHMRITYPLPUBZ-IUIKQTSFSA-N 1 0 385.917 4.229 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000043303417 821388944 /nfs/dbraw/zinc/38/89/44/821388944.db2.gz GIWURZJCACGEAD-LSDHHAIUSA-N 1 0 393.443 4.434 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000180690173 821396399 /nfs/dbraw/zinc/39/63/99/821396399.db2.gz TUJWROUYOPEUNN-SJKOYZFVSA-N 1 0 398.381 4.397 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cs2)c1 ZINC000180780608 821453367 /nfs/dbraw/zinc/45/33/67/821453367.db2.gz KUKJNJIFJYQLHO-UZLBHIALSA-N 1 0 398.532 4.167 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000044803354 821665305 /nfs/dbraw/zinc/66/53/05/821665305.db2.gz PTPMDKADFLPVKF-QWHCGFSZSA-N 1 0 393.390 4.182 20 5 GIBDRO Cc1cc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000044877539 821676175 /nfs/dbraw/zinc/67/61/75/821676175.db2.gz LTPBPORKMBOCDJ-INIZCTEOSA-N 1 0 381.476 4.065 20 5 GIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181180809 821680899 /nfs/dbraw/zinc/68/08/99/821680899.db2.gz IMQMBRXSZMARNT-UHFFFAOYSA-N 1 0 391.374 4.044 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181304155 821745129 /nfs/dbraw/zinc/74/51/29/821745129.db2.gz VQYWNWVATKXVMK-HZPDHXFCSA-N 1 0 390.443 4.335 20 5 GIBDRO CC[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181400613 821807640 /nfs/dbraw/zinc/80/76/40/821807640.db2.gz VLSCIUHAIOWLRP-IAGOWNOFSA-N 1 0 379.254 4.132 20 5 GIBDRO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000181587349 821891588 /nfs/dbraw/zinc/89/15/88/821891588.db2.gz NWYODLNOZUDZKQ-VGSWGCGISA-N 1 0 394.519 4.126 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000181588516 821892249 /nfs/dbraw/zinc/89/22/49/821892249.db2.gz PJNXUNAJCVYNBX-IRXDYDNUSA-N 1 0 398.507 4.265 20 5 GIBDRO CCN(C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000181829107 822009605 /nfs/dbraw/zinc/00/96/05/822009605.db2.gz XFLJIWQWGJZFEA-AWEZNQCLSA-N 1 0 398.488 4.217 20 5 GIBDRO C[NH+](C)Cc1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000181981356 822052396 /nfs/dbraw/zinc/05/23/96/822052396.db2.gz PPFYEMCUZXABGN-UHFFFAOYSA-N 1 0 379.869 4.041 20 5 GIBDRO CCOc1cccc2cc([C@H](C)[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000182661719 822342774 /nfs/dbraw/zinc/34/27/74/822342774.db2.gz MCNHTOPICRMRRJ-AWEZNQCLSA-N 1 0 397.431 4.419 20 5 GIBDRO COc1ccccc1N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000178228909 822356465 /nfs/dbraw/zinc/35/64/65/822356465.db2.gz RAAUIHRYQWYBEH-HXUWFJFHSA-N 1 0 395.503 4.183 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000178867858 822417624 /nfs/dbraw/zinc/41/76/24/822417624.db2.gz KOLVUXILJAHMPM-OAQYLSRUSA-N 1 0 381.407 4.038 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000179208137 822451257 /nfs/dbraw/zinc/45/12/57/822451257.db2.gz XMDKJSQDECCOPD-MRXNPFEDSA-N 1 0 377.238 4.143 20 5 GIBDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1)c1ccccc1 ZINC000183457227 822477761 /nfs/dbraw/zinc/47/77/61/822477761.db2.gz FMVDVBSUHQGBAN-QFIPXVFZSA-N 1 0 395.503 4.178 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000179477914 822488129 /nfs/dbraw/zinc/48/81/29/822488129.db2.gz GIKBOOWROUPDBR-HUUCEWRRSA-N 1 0 396.447 4.498 20 5 GIBDRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000046599321 822490333 /nfs/dbraw/zinc/49/03/33/822490333.db2.gz IHYGBYKCKBOBGY-UHFFFAOYSA-N 1 0 382.247 4.362 20 5 GIBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2c2cccnc12 ZINC000179562032 822504056 /nfs/dbraw/zinc/50/40/56/822504056.db2.gz GGOAZFNFGQZNCT-UHFFFAOYSA-N 1 0 396.494 4.429 20 5 GIBDRO CC1CC[NH+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000047198912 822553797 /nfs/dbraw/zinc/55/37/97/822553797.db2.gz DWUUPSBGWFKQNM-UHFFFAOYSA-N 1 0 375.494 4.051 20 5 GIBDRO COc1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c([N+](=O)[O-])cc1F ZINC000184299553 822610793 /nfs/dbraw/zinc/61/07/93/822610793.db2.gz RUJYOBPPPCRDPQ-HXUWFJFHSA-N 1 0 390.411 4.001 20 5 GIBDRO COc1ccc(OCC[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000184467212 822640990 /nfs/dbraw/zinc/64/09/90/822640990.db2.gz RQBHWAUDMXHCBC-LBPRGKRZSA-N 1 0 379.482 4.087 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184501580 822646528 /nfs/dbraw/zinc/64/65/28/822646528.db2.gz VHPLVXFAXONREZ-GFCCVEGCSA-N 1 0 376.482 4.028 20 5 GIBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2C1 ZINC000184520801 822649950 /nfs/dbraw/zinc/64/99/50/822649950.db2.gz LNAJJWOPLIXAEP-JLTOFOAXSA-N 1 0 385.439 4.186 20 5 GIBDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000180414026 822677715 /nfs/dbraw/zinc/67/77/15/822677715.db2.gz WTHGQJBLIRWGEK-LBPRGKRZSA-N 1 0 397.353 4.000 20 5 GIBDRO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000051064259 822745796 /nfs/dbraw/zinc/74/57/96/822745796.db2.gz MALZQYFQTZVILC-SFHVURJKSA-N 1 0 392.459 4.408 20 5 GIBDRO Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000455932586 822752129 /nfs/dbraw/zinc/75/21/29/822752129.db2.gz QBRCRDUPIVAMBM-LIRRHRJNSA-N 1 0 382.464 4.335 20 5 GIBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000456124388 822780967 /nfs/dbraw/zinc/78/09/67/822780967.db2.gz SDQINORQSHWLNI-UHFFFAOYSA-N 1 0 387.867 4.033 20 5 GIBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000456208411 822788120 /nfs/dbraw/zinc/78/81/20/822788120.db2.gz UKFKECNDZZKECR-UHFFFAOYSA-N 1 0 398.507 4.057 20 5 GIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456251725 822790218 /nfs/dbraw/zinc/79/02/18/822790218.db2.gz AGPVEUXFZACMAS-BFUOFWGJSA-N 1 0 385.489 4.263 20 5 GIBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000174528217 822801513 /nfs/dbraw/zinc/80/15/13/822801513.db2.gz IFAOKFDFODXIJW-INIZCTEOSA-N 1 0 399.516 4.160 20 5 GIBDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174607391 822811811 /nfs/dbraw/zinc/81/18/11/822811811.db2.gz ZKZZSXZTXJPPLA-AWEZNQCLSA-N 1 0 399.472 4.284 20 5 GIBDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000052823972 822812329 /nfs/dbraw/zinc/81/23/29/822812329.db2.gz IBDYVJZHSAXTPK-INIZCTEOSA-N 1 0 399.466 4.132 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000053112536 822822348 /nfs/dbraw/zinc/82/23/48/822822348.db2.gz XWPKAHVSOVBJPM-UHFFFAOYSA-N 1 0 381.354 4.074 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000053235938 822827359 /nfs/dbraw/zinc/82/73/59/822827359.db2.gz RVTASVWSWAWLIT-CYBMUJFWSA-N 1 0 391.855 4.278 20 5 GIBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175062992 822876051 /nfs/dbraw/zinc/87/60/51/822876051.db2.gz CERAOQUEVRHCOM-CRAIPNDOSA-N 1 0 375.494 4.259 20 5 GIBDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175198290 822902360 /nfs/dbraw/zinc/90/23/60/822902360.db2.gz JWDMUYXYUZWBBE-UHFFFAOYSA-N 1 0 393.365 4.462 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175280541 822923052 /nfs/dbraw/zinc/92/30/52/822923052.db2.gz YUPPJTOSMRACCM-UHFFFAOYSA-N 1 0 382.464 4.032 20 5 GIBDRO C[C@H]1CC(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000569829084 822973728 /nfs/dbraw/zinc/97/37/28/822973728.db2.gz PQVOMKYJXFJAOL-KBPBESRZSA-N 1 0 375.494 4.402 20 5 GIBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150974 823010726 /nfs/dbraw/zinc/01/07/26/823010726.db2.gz PKRAPHOPMHUTGA-QAJUQPOASA-N 1 0 399.491 4.401 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000411725242 823600298 /nfs/dbraw/zinc/60/02/98/823600298.db2.gz NPWKOBKGDXYRGK-BEFAXECRSA-N 1 0 383.448 4.015 20 5 GIBDRO CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000124766038 823624426 /nfs/dbraw/zinc/62/44/26/823624426.db2.gz VEPPMVALZNMAPZ-RDJZCZTQSA-N 1 0 393.553 4.288 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000124835795 823629867 /nfs/dbraw/zinc/62/98/67/823629867.db2.gz GNRBTICVLHRXTL-CHWSQXEVSA-N 1 0 391.855 4.325 20 5 GIBDRO C[N@@H+](Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000191156386 823654526 /nfs/dbraw/zinc/65/45/26/823654526.db2.gz YHKZEAGAXFGHAX-UHFFFAOYSA-N 1 0 376.840 4.243 20 5 GIBDRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000125368234 823671039 /nfs/dbraw/zinc/67/10/39/823671039.db2.gz OQSPMCHRJRSUFA-RBBKRZOGSA-N 1 0 384.476 4.026 20 5 GIBDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191339973 823673932 /nfs/dbraw/zinc/67/39/32/823673932.db2.gz YSWKSRRHRLKLBP-UHFFFAOYSA-N 1 0 376.501 4.187 20 5 GIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1CCc1ccccc1 ZINC000164315931 823795527 /nfs/dbraw/zinc/79/55/27/823795527.db2.gz PLCTYWQSOMPZLV-GOSISDBHSA-N 1 0 378.476 4.145 20 5 GIBDRO Cc1ccc([C@H](C)NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000164539698 823807682 /nfs/dbraw/zinc/80/76/82/823807682.db2.gz JOCBFNMTAPINJA-SFHVURJKSA-N 1 0 395.503 4.383 20 5 GIBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)c1cccc(OC)c1 ZINC000164836772 823822061 /nfs/dbraw/zinc/82/20/61/823822061.db2.gz ZHWIBCVGNMMVEL-MRXNPFEDSA-N 1 0 385.464 4.324 20 5 GIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000165684103 823858783 /nfs/dbraw/zinc/85/87/83/823858783.db2.gz YLSMJVPTGIJGMX-APWZRJJASA-N 1 0 399.491 4.172 20 5 GIBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126548641 823895610 /nfs/dbraw/zinc/89/56/10/823895610.db2.gz RDQSHMATTRWIFC-YJBOKZPZSA-N 1 0 385.439 4.032 20 5 GIBDRO CC1CC[NH+](Cc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000170497792 823919839 /nfs/dbraw/zinc/91/98/39/823919839.db2.gz HJDHIDXLXXSMKE-IZZDOVSWSA-N 1 0 379.460 4.479 20 5 GIBDRO CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000170652435 823927294 /nfs/dbraw/zinc/92/72/94/823927294.db2.gz AKSSMLYSGRZPTF-UHFFFAOYSA-N 1 0 399.466 4.251 20 5 GIBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)C1 ZINC000170793904 823972637 /nfs/dbraw/zinc/97/26/37/823972637.db2.gz JLLGUDHDOBHVSL-ZDUSSCGKSA-N 1 0 389.402 4.357 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(c3ccncn3)CC2)s1 ZINC000414469948 823990769 /nfs/dbraw/zinc/99/07/69/823990769.db2.gz KSZQKCFFSIGNSE-UHFFFAOYSA-N 1 0 380.473 4.493 20 5 GIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)CCC2 ZINC000192647496 824055782 /nfs/dbraw/zinc/05/57/82/824055782.db2.gz SDOOKLDVYCRRQR-NRFANRHFSA-N 1 0 376.460 4.049 20 5 GIBDRO Cc1ccc(-c2nc3sccc3c(N3CCC[C@H]([NH+](C)C)C3)n2)cc1[N+](=O)[O-] ZINC001165037171 721895922 /nfs/dbraw/zinc/89/59/22/721895922.db2.gz VYGHUNDQTJXBDW-HNNXBMFYSA-N 1 0 397.504 4.105 20 5 GIBDRO CC(C)(CO)[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000570764953 823083423 /nfs/dbraw/zinc/08/34/23/823083423.db2.gz RQXHCFJGUQXLNY-OAQYLSRUSA-N 1 0 395.459 4.142 20 5 GIBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000571006726 823119241 /nfs/dbraw/zinc/11/92/41/823119241.db2.gz KUGUAHYYPPPEKM-SFHVURJKSA-N 1 0 397.431 4.251 20 5 GIBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000176137489 823133229 /nfs/dbraw/zinc/13/32/29/823133229.db2.gz QWBXBKHDEOBNDI-ROUUACIJSA-N 1 0 391.515 4.007 20 5 GIBDRO CC(C)c1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000187804809 823137427 /nfs/dbraw/zinc/13/74/27/823137427.db2.gz WZHSXMMJHYCLDH-IBGZPJMESA-N 1 0 395.503 4.312 20 5 GIBDRO CC(C)c1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000187804825 823137477 /nfs/dbraw/zinc/13/74/77/823137477.db2.gz WZHSXMMJHYCLDH-LJQANCHMSA-N 1 0 395.503 4.312 20 5 GIBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000121253107 823148336 /nfs/dbraw/zinc/14/83/36/823148336.db2.gz VIXJBVXWIMHQDD-INIZCTEOSA-N 1 0 385.420 4.103 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000571568393 823201643 /nfs/dbraw/zinc/20/16/43/823201643.db2.gz LGDDDEYLHQPHRX-JOCHJYFZSA-N 1 0 397.475 4.453 20 5 GIBDRO O=C(CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000122051804 823299046 /nfs/dbraw/zinc/29/90/46/823299046.db2.gz OTIZAXKMAZCBOP-KRWDZBQOSA-N 1 0 396.472 4.370 20 5 GIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(CCc3ccccc3)CC2)c2c(c1)COCO2 ZINC000011155139 818058034 /nfs/dbraw/zinc/05/80/34/818058034.db2.gz BHJGWIRKUBPNBJ-UHFFFAOYSA-N 1 0 382.460 4.306 20 5 GIBDRO O=C(NCc1c(Cl)cccc1-n1ccnc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000572326133 823320553 /nfs/dbraw/zinc/32/05/53/823320553.db2.gz CIILPIDLBHLKGX-UHFFFAOYSA-N 1 0 391.214 4.017 20 5 GIBDRO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000122199270 823320701 /nfs/dbraw/zinc/32/07/01/823320701.db2.gz RETLMQGBSUSIQR-ZDUSSCGKSA-N 1 0 381.457 4.273 20 5 GIBDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177036820 823355833 /nfs/dbraw/zinc/35/58/33/823355833.db2.gz CWNIMNWXIJPGPH-UHFFFAOYSA-N 1 0 392.415 4.456 20 5 GIBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122726326 823401160 /nfs/dbraw/zinc/40/11/60/823401160.db2.gz JSZICZLANXKCAN-VGOFRKELSA-N 1 0 384.476 4.318 20 5 GIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189505261 823432997 /nfs/dbraw/zinc/43/29/97/823432997.db2.gz WKLBYUWXXYJRPQ-APHBMKBZSA-N 1 0 376.482 4.360 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@@H](c2ccccc2)c2ccccn2)cccc1[N+](=O)[O-] ZINC000026230793 820072530 /nfs/dbraw/zinc/07/25/30/820072530.db2.gz GCIQQJLRGJQSFS-QFIPXVFZSA-N 1 0 390.443 4.006 20 5 GIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573137538 823453008 /nfs/dbraw/zinc/45/30/08/823453008.db2.gz QDNKLWSJEZIXQP-MEBBXXQBSA-N 1 0 382.386 4.309 20 5 GIBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028167580 820314897 /nfs/dbraw/zinc/31/48/97/820314897.db2.gz QNGKDTVNFJUXSR-HNNXBMFYSA-N 1 0 385.489 4.310 20 5 GIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000410351958 823471110 /nfs/dbraw/zinc/47/11/10/823471110.db2.gz GVLVAZVRYBIIHI-MRXNPFEDSA-N 1 0 382.464 4.148 20 5 GIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-n2cccn2)cc1 ZINC000573360478 823484466 /nfs/dbraw/zinc/48/44/66/823484466.db2.gz NHBIBYMJSBCYEA-OAHLLOKOSA-N 1 0 375.432 4.155 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000177887858 823541638 /nfs/dbraw/zinc/54/16/38/823541638.db2.gz IWAYGBIJAPDFBK-UHFFFAOYSA-N 1 0 381.354 4.074 20 5 GIBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000180866027 821502322 /nfs/dbraw/zinc/50/23/22/821502322.db2.gz IWRZJBDNTPXBHV-HIFRSBDPSA-N 1 0 376.840 4.243 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000180892193 821518628 /nfs/dbraw/zinc/51/86/28/821518628.db2.gz YWPNPGQAHYZZFO-HZPDHXFCSA-N 1 0 390.443 4.335 20 5 GIBDRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000044875530 821675642 /nfs/dbraw/zinc/67/56/42/821675642.db2.gz YKHMXBBMGGMADM-UHFFFAOYSA-N 1 0 381.476 4.065 20 5 GIBDRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000044875558 821675669 /nfs/dbraw/zinc/67/56/69/821675669.db2.gz UUGYAHFRWAICAQ-UHFFFAOYSA-N 1 0 381.476 4.065 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181317376 821755391 /nfs/dbraw/zinc/75/53/91/821755391.db2.gz ZTZFSPIUJSHFCA-HZPDHXFCSA-N 1 0 390.443 4.335 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000181317329 821755482 /nfs/dbraw/zinc/75/54/82/821755482.db2.gz ZTZFSPIUJSHFCA-CVEARBPZSA-N 1 0 390.443 4.335 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181391491 821802094 /nfs/dbraw/zinc/80/20/94/821802094.db2.gz DKLFIDKEWPNOMG-MLGOLLRUSA-N 1 0 379.254 4.050 20 5 GIBDRO COc1ccccc1COC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000181552637 821878597 /nfs/dbraw/zinc/87/85/97/821878597.db2.gz BVFZMKWOMXXFAQ-RMKNXTFCSA-N 1 0 382.460 4.298 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181732699 821966914 /nfs/dbraw/zinc/96/69/14/821966914.db2.gz GOZFYJUZVAFWBV-NSHDSACASA-N 1 0 395.818 4.075 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000181832146 822010718 /nfs/dbraw/zinc/01/07/18/822010718.db2.gz UVWKHZPFJPQTHO-LBPRGKRZSA-N 1 0 381.354 4.211 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000181833326 822011180 /nfs/dbraw/zinc/01/11/80/822011180.db2.gz BLUWKMBQSNHINQ-LLVKDONJSA-N 1 0 382.247 4.499 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000181839815 822013721 /nfs/dbraw/zinc/01/37/21/822013721.db2.gz LDQYVXWLMWBSBG-ZIAGYGMSSA-N 1 0 375.856 4.085 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000181881925 822025269 /nfs/dbraw/zinc/02/52/69/822025269.db2.gz QPPMWYOTCLFEOH-QGZVFWFLSA-N 1 0 396.491 4.183 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181887359 822027174 /nfs/dbraw/zinc/02/71/74/822027174.db2.gz AEQGFLHFOVXNDJ-QGZVFWFLSA-N 1 0 396.491 4.183 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000182073791 822082473 /nfs/dbraw/zinc/08/24/73/822082473.db2.gz CBNNHSFXEIPPML-UHFFFAOYSA-N 1 0 393.553 4.289 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182432028 822240735 /nfs/dbraw/zinc/24/07/35/822240735.db2.gz OUFGYDXBIGJEFK-LBPRGKRZSA-N 1 0 381.354 4.211 20 5 GIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000182625662 822328361 /nfs/dbraw/zinc/32/83/61/822328361.db2.gz DAGGOLOOLDXVGJ-CYBMUJFWSA-N 1 0 391.855 4.325 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000182646452 822337718 /nfs/dbraw/zinc/33/77/18/822337718.db2.gz WZSZRVUHOJIQSH-CYBMUJFWSA-N 1 0 383.404 4.029 20 5 GIBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000178202439 822351327 /nfs/dbraw/zinc/35/13/27/822351327.db2.gz BJYFWBDWKGFFIK-AWEZNQCLSA-N 1 0 381.354 4.082 20 5 GIBDRO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000178254361 822359012 /nfs/dbraw/zinc/35/90/12/822359012.db2.gz DTLLVTVOTASNML-OAHLLOKOSA-N 1 0 382.464 4.103 20 5 GIBDRO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453418760 822360124 /nfs/dbraw/zinc/36/01/24/822360124.db2.gz CRHFUQYMBJXMAS-DZKIICNBSA-N 1 0 385.489 4.127 20 5 GIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182788822 822367531 /nfs/dbraw/zinc/36/75/31/822367531.db2.gz RREGZFKPLBFVQW-ZDUSSCGKSA-N 1 0 380.391 4.407 20 5 GIBDRO CCc1cc2c(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2cc1O ZINC000178685789 822402989 /nfs/dbraw/zinc/40/29/89/822402989.db2.gz NPRSBEWCFZYCNN-CYBMUJFWSA-N 1 0 382.416 4.128 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183151790 822432096 /nfs/dbraw/zinc/43/20/96/822432096.db2.gz SFOGJOILMRMARF-MRXNPFEDSA-N 1 0 380.448 4.419 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000179395685 822476640 /nfs/dbraw/zinc/47/66/40/822476640.db2.gz GFMOURYFVGVXIR-INIZCTEOSA-N 1 0 380.448 4.089 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000183539309 822491949 /nfs/dbraw/zinc/49/19/49/822491949.db2.gz GTYRGGQBOSHDIZ-CQSZACIVSA-N 1 0 397.431 4.337 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000183629749 822503424 /nfs/dbraw/zinc/50/34/24/822503424.db2.gz JSTKBNLFHIUWIB-AWEZNQCLSA-N 1 0 397.431 4.337 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179595123 822509315 /nfs/dbraw/zinc/50/93/15/822509315.db2.gz OBFPXQRUWSYVSO-CYBMUJFWSA-N 1 0 393.390 4.184 20 5 GIBDRO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000046794635 822517784 /nfs/dbraw/zinc/51/77/84/822517784.db2.gz ZVJSXBMTVBWKBQ-QGZVFWFLSA-N 1 0 381.476 4.208 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000184095132 822577164 /nfs/dbraw/zinc/57/71/64/822577164.db2.gz MJNFCXIQIGUFMG-CQSZACIVSA-N 1 0 384.411 4.376 20 5 GIBDRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184325054 822615516 /nfs/dbraw/zinc/61/55/16/822615516.db2.gz YHLUBIKFNQGLDN-UONOGXRCSA-N 1 0 397.431 4.336 20 5 GIBDRO COCCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180108128 822616772 /nfs/dbraw/zinc/61/67/72/822616772.db2.gz ZUQJVIKVLCJQCA-QHCPKHFHSA-N 1 0 392.455 4.499 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000180119453 822619055 /nfs/dbraw/zinc/61/90/55/822619055.db2.gz ZYXVGBKFYOHSRQ-SFHVURJKSA-N 1 0 387.505 4.128 20 5 GIBDRO COc1ccc(OCC[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000184467229 822641038 /nfs/dbraw/zinc/64/10/38/822641038.db2.gz RQBHWAUDMXHCBC-GFCCVEGCSA-N 1 0 379.482 4.087 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184501563 822646498 /nfs/dbraw/zinc/64/64/98/822646498.db2.gz VHPLVXFAXONREZ-LBPRGKRZSA-N 1 0 376.482 4.028 20 5 GIBDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000184510439 822647956 /nfs/dbraw/zinc/64/79/56/822647956.db2.gz OUJSIRVLUDAONM-NSHDSACASA-N 1 0 391.884 4.227 20 5 GIBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180427670 822679846 /nfs/dbraw/zinc/67/98/46/822679846.db2.gz DUFLTWRBZLILBK-QHCPKHFHSA-N 1 0 389.455 4.475 20 5 GIBDRO Cc1ccc(-c2noc(CCC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000180429524 822680294 /nfs/dbraw/zinc/68/02/94/822680294.db2.gz UDSRXBHNQAPDSL-AWEZNQCLSA-N 1 0 384.411 4.376 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180456785 822685701 /nfs/dbraw/zinc/68/57/01/822685701.db2.gz HYRDXWFHWBLGDW-QGZVFWFLSA-N 1 0 389.455 4.475 20 5 GIBDRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000051064261 822745772 /nfs/dbraw/zinc/74/57/72/822745772.db2.gz MALZQYFQTZVILC-GOSISDBHSA-N 1 0 392.459 4.408 20 5 GIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cc(OC)c(O)cc3[N+](=O)[O-])cc2)cc1 ZINC000174575346 822807118 /nfs/dbraw/zinc/80/71/18/822807118.db2.gz XGQAXAOCODUDCR-UHFFFAOYSA-N 1 0 394.427 4.274 20 5 GIBDRO COc1ccc(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000053098044 822821661 /nfs/dbraw/zinc/82/16/61/822821661.db2.gz KPCHSXUNWVGYIO-MRXNPFEDSA-N 1 0 397.475 4.151 20 5 GIBDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000456788939 822831146 /nfs/dbraw/zinc/83/11/46/822831146.db2.gz SRWGOJONPAMEED-UHFFFAOYSA-N 1 0 395.868 4.035 20 5 GIBDRO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000053644345 822843742 /nfs/dbraw/zinc/84/37/42/822843742.db2.gz HENRZPDMSPAEKI-IBGZPJMESA-N 1 0 389.427 4.058 20 5 GIBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000569229578 822894728 /nfs/dbraw/zinc/89/47/28/822894728.db2.gz XJSWDNQUZOFEOY-HNNXBMFYSA-N 1 0 385.489 4.008 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)o1 ZINC000186441954 822896237 /nfs/dbraw/zinc/89/62/37/822896237.db2.gz HYCKYHMBEXCZTC-JOCHJYFZSA-N 1 0 376.412 4.486 20 5 GIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000054667107 822902833 /nfs/dbraw/zinc/90/28/33/822902833.db2.gz FCHIXADBMHEGEY-GOSISDBHSA-N 1 0 375.856 4.482 20 5 GIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000055055610 822935724 /nfs/dbraw/zinc/93/57/24/822935724.db2.gz HXWRJDSKSKSPHD-UHFFFAOYSA-N 1 0 391.265 4.153 20 5 GIBDRO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000187207856 823024903 /nfs/dbraw/zinc/02/49/03/823024903.db2.gz KNMTUWYCEXQCCB-PXAZEXFGSA-N 1 0 395.381 4.035 20 5 GIBDRO Cc1ccc([C@H](C)NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000175748447 823031446 /nfs/dbraw/zinc/03/14/46/823031446.db2.gz WDHZAVBLMQKJNY-KRWDZBQOSA-N 1 0 396.491 4.059 20 5 GIBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411290005 823562626 /nfs/dbraw/zinc/56/26/26/823562626.db2.gz HZDHNRIAIVPNOC-KRWDZBQOSA-N 1 0 387.436 4.142 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060869474 823563707 /nfs/dbraw/zinc/56/37/07/823563707.db2.gz GCUDICSLDQTTBH-OAHLLOKOSA-N 1 0 383.448 4.230 20 5 GIBDRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000411456607 823576851 /nfs/dbraw/zinc/57/68/51/823576851.db2.gz MODIXJKCCWBEBE-HNNXBMFYSA-N 1 0 399.344 4.346 20 5 GIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000061116425 823579023 /nfs/dbraw/zinc/57/90/23/823579023.db2.gz LXJMKWKKVWOATA-UHFFFAOYSA-N 1 0 376.338 4.089 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000061307135 823590787 /nfs/dbraw/zinc/59/07/87/823590787.db2.gz WCXPQHNATCSVKL-UHFFFAOYSA-N 1 0 385.489 4.013 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000411725244 823600265 /nfs/dbraw/zinc/60/02/65/823600265.db2.gz NPWKOBKGDXYRGK-HNAYVOBHSA-N 1 0 383.448 4.015 20 5 GIBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000411761801 823603136 /nfs/dbraw/zinc/60/31/36/823603136.db2.gz WGVGIXLKQHJVKQ-UHFFFAOYSA-N 1 0 391.855 4.110 20 5 GIBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000411894123 823613627 /nfs/dbraw/zinc/61/36/27/823613627.db2.gz PYPCFHZSOIGSSZ-OAHLLOKOSA-N 1 0 380.391 4.488 20 5 GIBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000190937332 823627083 /nfs/dbraw/zinc/62/70/83/823627083.db2.gz LQGCZWMAXFBFKX-DGCLKSJQSA-N 1 0 395.253 4.274 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000063522270 823677566 /nfs/dbraw/zinc/67/75/66/823677566.db2.gz ABNJPFYKBKCKBQ-UHFFFAOYSA-N 1 0 389.402 4.175 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000191381429 823678523 /nfs/dbraw/zinc/67/85/23/823678523.db2.gz UPNCDJWDFVLHSJ-GOSISDBHSA-N 1 0 388.512 4.187 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063680363 823689138 /nfs/dbraw/zinc/68/91/38/823689138.db2.gz AAQITBBSQJILNZ-UHFFFAOYSA-N 1 0 381.476 4.209 20 5 GIBDRO O=[N+]([O-])c1cc(C[N@H+](CCc2ccccc2)C2CCCC2)c2c(c1)COCO2 ZINC000063754887 823693810 /nfs/dbraw/zinc/69/38/10/823693810.db2.gz IWKCWUMBCRTZLS-UHFFFAOYSA-N 1 0 382.460 4.449 20 5 GIBDRO Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461774121 823694121 /nfs/dbraw/zinc/69/41/21/823694121.db2.gz HDVPGTSNQQGPOW-UHFFFAOYSA-N 1 0 394.397 4.394 20 5 GIBDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000126142061 823798201 /nfs/dbraw/zinc/79/82/01/823798201.db2.gz TUPVNGCIAIBGEQ-UHFFFAOYSA-N 1 0 388.493 4.083 20 5 GIBDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000574827064 823835543 /nfs/dbraw/zinc/83/55/43/823835543.db2.gz OIANGEKNSKZKIS-OAHLLOKOSA-N 1 0 394.855 4.136 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000165186414 823838501 /nfs/dbraw/zinc/83/85/01/823838501.db2.gz HOZDLRVPECFYLW-ZDUSSCGKSA-N 1 0 377.391 4.203 20 5 GIBDRO CSc1nnc(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1CC(C)C ZINC000165660124 823857205 /nfs/dbraw/zinc/85/72/05/823857205.db2.gz SKIUHVSSQAKNJB-OAHLLOKOSA-N 1 0 391.541 4.156 20 5 GIBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000575045544 823899144 /nfs/dbraw/zinc/89/91/44/823899144.db2.gz JEWOJHOCVVZRPW-INIZCTEOSA-N 1 0 389.883 4.472 20 5 GIBDRO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1COc2ccccc21 ZINC000169074745 823907795 /nfs/dbraw/zinc/90/77/95/823907795.db2.gz YWLZHHRCVAQHEN-SCLBCKFNSA-N 1 0 381.457 4.373 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000126647879 823918731 /nfs/dbraw/zinc/91/87/31/823918731.db2.gz XMPCIXOOCUVNSK-VXGBXAGGSA-N 1 0 379.819 4.374 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000127142387 824025326 /nfs/dbraw/zinc/02/53/26/824025326.db2.gz QFLSNARWRCAKMJ-HNNXBMFYSA-N 1 0 380.832 4.046 20 5 GIBDRO O=C1OCCC12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000359878326 212122177 /nfs/dbraw/zinc/12/21/77/212122177.db2.gz QZFBQWXFCHOUEY-UHFFFAOYSA-N 1 0 390.823 4.037 20 5 GIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627811 719071039 /nfs/dbraw/zinc/07/10/39/719071039.db2.gz QWCYGSJYIWERDP-SJLPKXTDSA-N 1 0 386.883 4.052 20 5 GIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627810 719071387 /nfs/dbraw/zinc/07/13/87/719071387.db2.gz QWCYGSJYIWERDP-FUHWJXTLSA-N 1 0 386.883 4.052 20 5 GIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)c2ccccc2Cl)o1 ZINC000570718494 823075337 /nfs/dbraw/zinc/07/53/37/823075337.db2.gz DUFMXYPWGADVID-AWEZNQCLSA-N 1 0 386.835 4.374 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000570760991 823082477 /nfs/dbraw/zinc/08/24/77/823082477.db2.gz DHOAXXABBSAAEV-KRWDZBQOSA-N 1 0 396.422 4.472 20 5 GIBDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000120958270 823093147 /nfs/dbraw/zinc/09/31/47/823093147.db2.gz JTZCJQFIWBWUNP-UHFFFAOYSA-N 1 0 395.503 4.247 20 5 GIBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)C[C@@H]1CCC[N@@H+]1CC ZINC000570838638 823093969 /nfs/dbraw/zinc/09/39/69/823093969.db2.gz IUXZIIXKOYPLTP-INIZCTEOSA-N 1 0 379.526 4.043 20 5 GIBDRO CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000121222093 823141470 /nfs/dbraw/zinc/14/14/70/823141470.db2.gz ATBGUPYLWKFFSF-WBVHZDCISA-N 1 0 393.553 4.145 20 5 GIBDRO C[C@@]1(c2ccccc2)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000121339744 823166014 /nfs/dbraw/zinc/16/60/14/823166014.db2.gz FOUOEZMJWALIAW-QFIPXVFZSA-N 1 0 393.443 4.040 20 5 GIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccnn1-c1ccccc1 ZINC000571359218 823170368 /nfs/dbraw/zinc/17/03/68/823170368.db2.gz MHRZLYXOCNJAPV-HNNXBMFYSA-N 1 0 375.432 4.155 20 5 GIBDRO CSc1cccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000188250803 823209406 /nfs/dbraw/zinc/20/94/06/823209406.db2.gz WZBSROSSHBIOCA-UHFFFAOYSA-N 1 0 391.537 4.045 20 5 GIBDRO CC(C)CCOC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121603121 823214385 /nfs/dbraw/zinc/21/43/85/823214385.db2.gz ISAQXUXFEQJRRQ-UHFFFAOYSA-N 1 0 386.496 4.022 20 5 GIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000571746697 823228808 /nfs/dbraw/zinc/22/88/08/823228808.db2.gz QOJMSROZUPGRKU-HZPDHXFCSA-N 1 0 398.385 4.006 20 5 GIBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176723366 823277371 /nfs/dbraw/zinc/27/73/71/823277371.db2.gz QHDQUAHPFXGEGE-HOCLYGCPSA-N 1 0 387.867 4.031 20 5 GIBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000122089970 823304723 /nfs/dbraw/zinc/30/47/23/823304723.db2.gz HCELGWAPTNNOCO-CQSZACIVSA-N 1 0 390.509 4.252 20 5 GIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000011047054 818047642 /nfs/dbraw/zinc/04/76/42/818047642.db2.gz UNWJSTURQQBKEP-WBMJQRKESA-N 1 0 391.855 4.325 20 5 GIBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000011048227 818047834 /nfs/dbraw/zinc/04/78/34/818047834.db2.gz BOJVTBPSRAGXPI-LRDDRELGSA-N 1 0 391.855 4.325 20 5 GIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000011708033 818110672 /nfs/dbraw/zinc/11/06/72/818110672.db2.gz QEAPTIWSCOXLCJ-OLZOCXBDSA-N 1 0 391.855 4.325 20 5 GIBDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC(F)F ZINC000015036111 818285454 /nfs/dbraw/zinc/28/54/54/818285454.db2.gz MMGUCZMAJOLPAP-UHFFFAOYSA-N 1 0 378.375 4.369 20 5 GIBDRO CC(C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000057846855 823341076 /nfs/dbraw/zinc/34/10/76/823341076.db2.gz QXQXLYZCIQGTFP-UHFFFAOYSA-N 1 0 381.354 4.077 20 5 GIBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000019625733 818596480 /nfs/dbraw/zinc/59/64/80/818596480.db2.gz KPASGTLWUJIXLY-SJKOYZFVSA-N 1 0 391.855 4.325 20 5 GIBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000177065765 823362766 /nfs/dbraw/zinc/36/27/66/823362766.db2.gz GKHZUYQPVVBTHM-BLLLJJGKSA-N 1 0 393.896 4.123 20 5 GIBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc(-c3cccnc3)c2)n1 ZINC000572689528 823383440 /nfs/dbraw/zinc/38/34/40/823383440.db2.gz UDMVTSMLHRPVKH-UXHICEINSA-N 1 0 377.448 4.127 20 5 GIBDRO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025215368 819944164 /nfs/dbraw/zinc/94/41/64/819944164.db2.gz DRWRDLPFMHJXHZ-BDJLRTHQSA-N 1 0 391.880 4.402 20 5 GIBDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000573049682 823440103 /nfs/dbraw/zinc/44/01/03/823440103.db2.gz AOKMHVGMQVWVGC-MRXNPFEDSA-N 1 0 385.464 4.058 20 5 GIBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573137537 823453125 /nfs/dbraw/zinc/45/31/25/823453125.db2.gz QDNKLWSJEZIXQP-BONVTDFDSA-N 1 0 382.386 4.309 20 5 GIBDRO O=C(CC[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026219229 820070655 /nfs/dbraw/zinc/07/06/55/820070655.db2.gz ZAAXZLQMKAOFEV-UHFFFAOYSA-N 1 0 375.428 4.303 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000029167409 820404168 /nfs/dbraw/zinc/40/41/68/820404168.db2.gz FPXWTJMCSVIUCP-LJQANCHMSA-N 1 0 387.505 4.130 20 5 GIBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000573371744 823485735 /nfs/dbraw/zinc/48/57/35/823485735.db2.gz GNMPPMCSQXKLAQ-OXQOHEQNSA-N 1 0 396.491 4.189 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOCC3CCOCC3)s2)cc1 ZINC000123371105 823502539 /nfs/dbraw/zinc/50/25/39/823502539.db2.gz YOLKCOWAFSUMOI-UHFFFAOYSA-N 1 0 390.505 4.246 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2ccccc2)c1 ZINC000180748521 821432216 /nfs/dbraw/zinc/43/22/16/821432216.db2.gz RZZMIBCNAINKJQ-WIYYLYMNSA-N 1 0 392.434 4.087 20 5 GIBDRO CCC[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000180750747 821433869 /nfs/dbraw/zinc/43/38/69/821433869.db2.gz BUHDKROCHWFKKQ-NRFANRHFSA-N 1 0 381.476 4.348 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cs2)c1 ZINC000180780585 821452992 /nfs/dbraw/zinc/45/29/92/821452992.db2.gz KUKJNJIFJYQLHO-OXQOHEQNSA-N 1 0 398.532 4.167 20 5 GIBDRO COc1ccc([C@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000180849822 821494133 /nfs/dbraw/zinc/49/41/33/821494133.db2.gz IETBXUIRYVQVCS-AWEZNQCLSA-N 1 0 397.431 4.160 20 5 GIBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000180865974 821501825 /nfs/dbraw/zinc/50/18/25/821501825.db2.gz IWRZJBDNTPXBHV-DZGCQCFKSA-N 1 0 376.840 4.243 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+]C(C)(C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000180874746 821506946 /nfs/dbraw/zinc/50/69/46/821506946.db2.gz XMJHFPAHKRFTNE-UHFFFAOYSA-N 1 0 377.391 4.035 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000180892173 821518769 /nfs/dbraw/zinc/51/87/69/821518769.db2.gz YWPNPGQAHYZZFO-JKSUJKDBSA-N 1 0 390.443 4.335 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180902632 821525946 /nfs/dbraw/zinc/52/59/46/821525946.db2.gz FBBUYBFMOBKDJY-MRXNPFEDSA-N 1 0 390.443 4.255 20 5 GIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181006320 821588472 /nfs/dbraw/zinc/58/84/72/821588472.db2.gz ZDWZVQCIVLVINB-OAHLLOKOSA-N 1 0 382.489 4.267 20 5 GIBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000044803360 821665272 /nfs/dbraw/zinc/66/52/72/821665272.db2.gz PTPMDKADFLPVKF-CHWSQXEVSA-N 1 0 393.390 4.182 20 5 GIBDRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000044877244 821675516 /nfs/dbraw/zinc/67/55/16/821675516.db2.gz DEFBSWIDKQLTLQ-INIZCTEOSA-N 1 0 381.476 4.065 20 5 GIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000181274957 821728053 /nfs/dbraw/zinc/72/80/53/821728053.db2.gz AGRSKLHLTWTMCW-GFCCVEGCSA-N 1 0 375.812 4.056 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000181292370 821739215 /nfs/dbraw/zinc/73/92/15/821739215.db2.gz WHLDGQAXNZWVHE-INIZCTEOSA-N 1 0 390.443 4.336 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000181324846 821759495 /nfs/dbraw/zinc/75/94/95/821759495.db2.gz LYYWXNFRWIXFJJ-MRXNPFEDSA-N 1 0 390.443 4.336 20 5 GIBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181389425 821800887 /nfs/dbraw/zinc/80/08/87/821800887.db2.gz FKXKIIRNBCHTML-IAGOWNOFSA-N 1 0 379.254 4.132 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000181468994 821840456 /nfs/dbraw/zinc/84/04/56/821840456.db2.gz CTAVNIDALVFGPQ-OAHLLOKOSA-N 1 0 379.526 4.042 20 5 GIBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181667139 821933438 /nfs/dbraw/zinc/93/34/38/821933438.db2.gz MBNBSTNTNNWSID-GOSISDBHSA-N 1 0 384.411 4.141 20 5 GIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000181741072 821971346 /nfs/dbraw/zinc/97/13/46/821971346.db2.gz GUYVPPGYCRZTJK-NSHDSACASA-N 1 0 395.818 4.075 20 5 GIBDRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835536 822012222 /nfs/dbraw/zinc/01/22/22/822012222.db2.gz JSIFFFPCBLRHQZ-YOEHRIQHSA-N 1 0 387.505 4.151 20 5 GIBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000182529929 822285180 /nfs/dbraw/zinc/28/51/80/822285180.db2.gz CRCZFTMCDHZRHK-AWEZNQCLSA-N 1 0 394.431 4.102 20 5 GIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000178672354 822401627 /nfs/dbraw/zinc/40/16/27/822401627.db2.gz INQSSZFUAHMLBE-WBMJQRKESA-N 1 0 391.855 4.325 20 5 GIBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178869644 822417701 /nfs/dbraw/zinc/41/77/01/822417701.db2.gz XMWOHJUGMLUFLF-KRWDZBQOSA-N 1 0 393.281 4.002 20 5 GIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000179360488 822471160 /nfs/dbraw/zinc/47/11/60/822471160.db2.gz RIXACBNNOABHSS-NRFANRHFSA-N 1 0 376.460 4.471 20 5 GIBDRO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000183470719 822480033 /nfs/dbraw/zinc/48/00/33/822480033.db2.gz POWHBYHXEIZHOO-QGZVFWFLSA-N 1 0 378.432 4.251 20 5 GIBDRO Cc1c([C@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000179599895 822510328 /nfs/dbraw/zinc/51/03/28/822510328.db2.gz AKMNIEOXZFCJJS-DZGCQCFKSA-N 1 0 376.482 4.064 20 5 GIBDRO Cc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000183780074 822527341 /nfs/dbraw/zinc/52/73/41/822527341.db2.gz DADFPUPCAIORRB-UHFFFAOYSA-N 1 0 390.871 4.059 20 5 GIBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000183782685 822527818 /nfs/dbraw/zinc/52/78/18/822527818.db2.gz IURQYUJFMQCICB-NSHDSACASA-N 1 0 395.818 4.075 20 5 GIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262090 822559561 /nfs/dbraw/zinc/55/95/61/822559561.db2.gz PQVUIXUONFXIOP-ZFWWWQNUSA-N 1 0 388.855 4.055 20 5 GIBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000179834697 822562661 /nfs/dbraw/zinc/56/26/61/822562661.db2.gz MCGMKNVAFNRABK-CLFYSBASSA-N 1 0 380.492 4.242 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000180119469 822619105 /nfs/dbraw/zinc/61/91/05/822619105.db2.gz ZYXVGBKFYOHSRQ-GOSISDBHSA-N 1 0 387.505 4.128 20 5 GIBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184469359 822641416 /nfs/dbraw/zinc/64/14/16/822641416.db2.gz NSGZRYARLDRMBD-GFCCVEGCSA-N 1 0 376.482 4.028 20 5 GIBDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000184510424 822647942 /nfs/dbraw/zinc/64/79/42/822647942.db2.gz OUJSIRVLUDAONM-LLVKDONJSA-N 1 0 391.884 4.227 20 5 GIBDRO C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180438503 822682174 /nfs/dbraw/zinc/68/21/74/822682174.db2.gz MCELFIQRDWKEIX-UGSOOPFHSA-N 1 0 375.494 4.211 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCOCC2CCOCC2)c2ccccc2)c1 ZINC000180599328 822708638 /nfs/dbraw/zinc/70/86/38/822708638.db2.gz IXUSQANVEHKXBA-JOCHJYFZSA-N 1 0 384.476 4.107 20 5 GIBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000455872161 822740510 /nfs/dbraw/zinc/74/05/10/822740510.db2.gz YRRONSNDAVHLPR-GOSISDBHSA-N 1 0 388.855 4.119 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000455872162 822740540 /nfs/dbraw/zinc/74/05/40/822740540.db2.gz YRRONSNDAVHLPR-SFHVURJKSA-N 1 0 388.855 4.119 20 5 GIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000185400305 822778992 /nfs/dbraw/zinc/77/89/92/822778992.db2.gz OOLRYFHONITFJS-GOSISDBHSA-N 1 0 399.491 4.051 20 5 GIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456251733 822790237 /nfs/dbraw/zinc/79/02/37/822790237.db2.gz AGPVEUXFZACMAS-YJYMSZOUSA-N 1 0 385.489 4.263 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)ccc21 ZINC000456273544 822792439 /nfs/dbraw/zinc/79/24/39/822792439.db2.gz LWGXGZDQVBIBNN-IBGZPJMESA-N 1 0 385.439 4.199 20 5 GIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000052407449 822798349 /nfs/dbraw/zinc/79/83/49/822798349.db2.gz KVPKOFSIOJGFQX-UHFFFAOYSA-N 1 0 380.370 4.085 20 5 GIBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000174528231 822801537 /nfs/dbraw/zinc/80/15/37/822801537.db2.gz IFAOKFDFODXIJW-MRXNPFEDSA-N 1 0 399.516 4.160 20 5 GIBDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174607405 822811770 /nfs/dbraw/zinc/81/17/70/822811770.db2.gz ZKZZSXZTXJPPLA-CQSZACIVSA-N 1 0 399.472 4.284 20 5 GIBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1ccc(F)cc1 ZINC000053088634 822821045 /nfs/dbraw/zinc/82/10/45/822821045.db2.gz WIVXEOSNLSEBNL-CQSZACIVSA-N 1 0 389.427 4.154 20 5 GIBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000185844534 822826865 /nfs/dbraw/zinc/82/68/65/822826865.db2.gz JCDUXDASABEQSB-GJZGRUSLSA-N 1 0 387.455 4.083 20 5 GIBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000185956900 822837216 /nfs/dbraw/zinc/83/72/16/822837216.db2.gz FPAYKTWDUUZVSC-SNVBAGLBSA-N 1 0 375.372 4.190 20 5 GIBDRO COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000053720518 822845929 /nfs/dbraw/zinc/84/59/29/822845929.db2.gz RYHAOSIFBTYFAU-OAHLLOKOSA-N 1 0 383.448 4.230 20 5 GIBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CC1 ZINC000457193903 822859938 /nfs/dbraw/zinc/85/99/38/822859938.db2.gz DLQYSEORIDVCQG-UHFFFAOYSA-N 1 0 399.516 4.350 20 5 GIBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175062974 822876095 /nfs/dbraw/zinc/87/60/95/822876095.db2.gz CERAOQUEVRHCOM-YJBOKZPZSA-N 1 0 375.494 4.259 20 5 GIBDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569223411 822894278 /nfs/dbraw/zinc/89/42/78/822894278.db2.gz VFUNOLUYCVNIMI-OAHLLOKOSA-N 1 0 394.475 4.188 20 5 GIBDRO CC[N@H+](CCC1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000569306455 822904840 /nfs/dbraw/zinc/90/48/40/822904840.db2.gz CPBXTOYIPIAXBB-SFHVURJKSA-N 1 0 389.540 4.305 20 5 GIBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411177628 823554766 /nfs/dbraw/zinc/55/47/66/823554766.db2.gz WHCKTPRSTQABDH-INIZCTEOSA-N 1 0 389.477 4.003 20 5 GIBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000124165314 823573675 /nfs/dbraw/zinc/57/36/75/823573675.db2.gz HTJHUGCGDWECBV-UHFFFAOYSA-N 1 0 399.491 4.222 20 5 GIBDRO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000061028898 823574021 /nfs/dbraw/zinc/57/40/21/823574021.db2.gz SHQIVHAIPZLUNU-UHFFFAOYSA-N 1 0 378.428 4.472 20 5 GIBDRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411448026 823575601 /nfs/dbraw/zinc/57/56/01/823575601.db2.gz DNTKPKYPWUEBLD-MRXNPFEDSA-N 1 0 399.344 4.346 20 5 GIBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124193966 823576320 /nfs/dbraw/zinc/57/63/20/823576320.db2.gz HBDLROJJSZAKCB-XHVZSJERSA-N 1 0 393.793 4.286 20 5 GIBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000062368730 823630023 /nfs/dbraw/zinc/63/00/23/823630023.db2.gz ABKXVPYAMFTCJM-UHFFFAOYSA-N 1 0 390.871 4.152 20 5 GIBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000461462602 823642589 /nfs/dbraw/zinc/64/25/89/823642589.db2.gz GIFSRLWAVCWTBM-INIZCTEOSA-N 1 0 394.269 4.081 20 5 GIBDRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000125368697 823671005 /nfs/dbraw/zinc/67/10/05/823671005.db2.gz OQSPMCHRJRSUFA-IFMALSPDSA-N 1 0 384.476 4.026 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)o2)cc1 ZINC000191355250 823675761 /nfs/dbraw/zinc/67/57/61/823675761.db2.gz BEZGPVMHYPVUHO-PKOBYXMFSA-N 1 0 378.432 4.146 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000125609527 823689606 /nfs/dbraw/zinc/68/96/06/823689606.db2.gz DTUWSKCGVXTROC-PXAZEXFGSA-N 1 0 384.354 4.186 20 5 GIBDRO CCc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063738865 823692850 /nfs/dbraw/zinc/69/28/50/823692850.db2.gz IWUNCOYNDAKSAK-MRXNPFEDSA-N 1 0 383.496 4.147 20 5 GIBDRO COC1CCN(CC[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000163621942 823728787 /nfs/dbraw/zinc/72/87/87/823728787.db2.gz ZURIZWPMSWWUPH-HNNXBMFYSA-N 1 0 389.521 4.085 20 5 GIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(OC[C@H]2CCOC2)c1 ZINC000167191586 823888300 /nfs/dbraw/zinc/88/83/00/823888300.db2.gz RBGAUWPEZLGDBO-ROUUACIJSA-N 1 0 384.476 4.478 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCCc4c(O)cccc43)o2)c1 ZINC000192366335 823959964 /nfs/dbraw/zinc/95/99/64/823959964.db2.gz IYIVXSIJEYDCFK-SFHVURJKSA-N 1 0 379.416 4.165 20 5 GIBDRO Cn1ncc2c1CCC[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C2 ZINC000414472001 823991322 /nfs/dbraw/zinc/99/13/22/823991322.db2.gz NBZVEJFEVYYQEE-UHFFFAOYSA-N 1 0 386.839 4.190 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170972039 824024169 /nfs/dbraw/zinc/02/41/69/824024169.db2.gz IGTLTSSSOTZJPK-UHFFFAOYSA-N 1 0 388.439 4.317 20 5 GIBDRO Clc1ccc2ccc3ccc(N4CC5(C4)CC[N@H+](CC4CC4)C5)nc3c2n1 ZINC001164771969 721289265 /nfs/dbraw/zinc/28/92/65/721289265.db2.gz BFGBMPGZBWMDDD-UHFFFAOYSA-N 1 0 378.907 4.359 20 5 GIBDRO CC[NH+](CC)C1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165053651 722007025 /nfs/dbraw/zinc/00/70/25/722007025.db2.gz CBDBOAGNMNGOLB-UHFFFAOYSA-N 1 0 389.887 4.016 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994546 722191865 /nfs/dbraw/zinc/19/18/65/722191865.db2.gz NUYUGZRCXLTIGN-IBGZPJMESA-N 1 0 390.846 4.027 20 5 GIBDRO COc1ccc(C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000120719405 823052141 /nfs/dbraw/zinc/05/21/41/823052141.db2.gz RVNZRMBAISERHI-UHFFFAOYSA-N 1 0 392.459 4.169 20 5 GIBDRO CC(C)C[N@@H+]1CCC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120754758 823057566 /nfs/dbraw/zinc/05/75/66/823057566.db2.gz TXXAHLFPOHUWKG-MRXNPFEDSA-N 1 0 388.537 4.176 20 5 GIBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000175866739 823059372 /nfs/dbraw/zinc/05/93/72/823059372.db2.gz UQRRXDSNQPKCIO-GSLFCAENSA-N 1 0 392.546 4.493 20 5 GIBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000175866699 823059377 /nfs/dbraw/zinc/05/93/77/823059377.db2.gz UQRRXDSNQPKCIO-YGCGBWEQSA-N 1 0 392.546 4.493 20 5 GIBDRO Cc1cccnc1[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000120997241 823099978 /nfs/dbraw/zinc/09/99/78/823099978.db2.gz IXCXKMIZCBFJQJ-FQEVSTJZSA-N 1 0 380.448 4.483 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000056196778 823100893 /nfs/dbraw/zinc/10/08/93/823100893.db2.gz HKSGGEBYVJPXEO-NWDGAFQWSA-N 1 0 381.354 4.291 20 5 GIBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000121159942 823129890 /nfs/dbraw/zinc/12/98/90/823129890.db2.gz CGIDPOUZLBXPOP-UHFFFAOYSA-N 1 0 395.484 4.315 20 5 GIBDRO CN1CCC([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000121195692 823136204 /nfs/dbraw/zinc/13/62/04/823136204.db2.gz VMFXFSRQRRUUGA-UHFFFAOYSA-N 1 0 375.856 4.224 20 5 GIBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000571153732 823141707 /nfs/dbraw/zinc/14/17/07/823141707.db2.gz RTPFVPCPECQTKM-ATVHPVEESA-N 1 0 396.491 4.391 20 5 GIBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121419348 823181247 /nfs/dbraw/zinc/18/12/47/823181247.db2.gz YKEWEXJOTLRDMD-CZUORRHYSA-N 1 0 382.395 4.162 20 5 GIBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000176415647 823203761 /nfs/dbraw/zinc/20/37/61/823203761.db2.gz XHLTXVLSRUTSPB-UHFFFAOYSA-N 1 0 375.856 4.018 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000460112513 823286616 /nfs/dbraw/zinc/28/66/16/823286616.db2.gz TUIIEQQBRDERMP-PKOBYXMFSA-N 1 0 381.476 4.028 20 5 GIBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460131291 823290794 /nfs/dbraw/zinc/29/07/94/823290794.db2.gz ZZMCDVJNWRHGIV-LJQANCHMSA-N 1 0 382.464 4.032 20 5 GIBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000007828362 817927222 /nfs/dbraw/zinc/92/72/22/817927222.db2.gz HQOLMBFCJQBDAO-UHFFFAOYSA-N 1 0 375.856 4.020 20 5 GIBDRO COc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)c([N+](=O)[O-])cc1OC ZINC000188913466 823327645 /nfs/dbraw/zinc/32/76/45/823327645.db2.gz XMTOKOCKTYXNSP-UHFFFAOYSA-N 1 0 384.354 4.229 20 5 GIBDRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000176944386 823331010 /nfs/dbraw/zinc/33/10/10/823331010.db2.gz JOYKFNLREYJRQN-NSHDSACASA-N 1 0 393.431 4.016 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000122426382 823352455 /nfs/dbraw/zinc/35/24/55/823352455.db2.gz DMGQFSHPNBHCIB-LBPRGKRZSA-N 1 0 384.461 4.281 20 5 GIBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1[N+](=O)[O-] ZINC000122550606 823370975 /nfs/dbraw/zinc/37/09/75/823370975.db2.gz YKUOXKSLKAZOOI-UHFFFAOYSA-N 1 0 391.475 4.396 20 5 GIBDRO C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2[N+](=O)[O-])C1 ZINC000023899135 818991993 /nfs/dbraw/zinc/99/19/93/818991993.db2.gz SRUXUIQUPBFODX-INIZCTEOSA-N 1 0 396.491 4.145 20 5 GIBDRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572675755 823380706 /nfs/dbraw/zinc/38/07/06/823380706.db2.gz KPLSMUBBCTZZGA-GOSISDBHSA-N 1 0 395.503 4.247 20 5 GIBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1OC ZINC000572706643 823386380 /nfs/dbraw/zinc/38/63/80/823386380.db2.gz AUIREQJCTANPIT-CYBMUJFWSA-N 1 0 378.856 4.467 20 5 GIBDRO COc1cc(C[NH2+]Cc2cncc(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000122936142 823436416 /nfs/dbraw/zinc/43/64/16/823436416.db2.gz HHAPJJIQPLYLBD-UHFFFAOYSA-N 1 0 393.443 4.176 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)o2)cc1 ZINC000122969578 823441849 /nfs/dbraw/zinc/44/18/49/823441849.db2.gz SXCRNCVRPDXXNE-FQEVSTJZSA-N 1 0 386.448 4.015 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000026225755 820071586 /nfs/dbraw/zinc/07/15/86/820071586.db2.gz OQAQFMQNTLVJBB-UHFFFAOYSA-N 1 0 381.354 4.074 20 5 GIBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000026226369 820072002 /nfs/dbraw/zinc/07/20/02/820072002.db2.gz QFTXKJZFJBLGTL-UHFFFAOYSA-N 1 0 382.247 4.362 20 5 GIBDRO COc1ccc2cc(C[N@H+](C)CCC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000026259832 820076683 /nfs/dbraw/zinc/07/66/83/820076683.db2.gz UBQAJIBMMDEZFX-UHFFFAOYSA-N 1 0 393.443 4.217 20 5 GIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402548 823454208 /nfs/dbraw/zinc/45/42/08/823454208.db2.gz IIUAZSZSFHJIBL-SJORKVTESA-N 1 0 388.468 4.060 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccsc1 ZINC000123256377 823486208 /nfs/dbraw/zinc/48/62/08/823486208.db2.gz HCSUPWWLHPTEOH-GOSISDBHSA-N 1 0 398.488 4.017 20 5 GIBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000030959015 820711567 /nfs/dbraw/zinc/71/15/67/820711567.db2.gz YBHZARAYBUALAW-UHFFFAOYSA-N 1 0 385.464 4.187 20 5 GIBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031145177 820752295 /nfs/dbraw/zinc/75/22/95/820752295.db2.gz WVLBAWVEHVTUAF-SFHVURJKSA-N 1 0 395.484 4.376 20 5 GIBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000460745500 823502902 /nfs/dbraw/zinc/50/29/02/823502902.db2.gz CCMRCYBSPFEYQW-ROUUACIJSA-N 1 0 395.503 4.311 20 5 GIBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000031987602 820884659 /nfs/dbraw/zinc/88/46/59/820884659.db2.gz NASFZPUBINTXLP-INIZCTEOSA-N 1 0 381.885 4.123 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000036692856 821076303 /nfs/dbraw/zinc/07/63/03/821076303.db2.gz FTKSASVHHNJXCD-GOSISDBHSA-N 1 0 375.856 4.061 20 5 GIBDRO CCC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177855631 823536925 /nfs/dbraw/zinc/53/69/25/823536925.db2.gz NFPHTFJTPKLRQD-NRFANRHFSA-N 1 0 381.476 4.330 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000180933593 821545288 /nfs/dbraw/zinc/54/52/88/821545288.db2.gz WDTRMEZEPCWFRO-INIZCTEOSA-N 1 0 390.443 4.336 20 5 GIBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181389382 821801089 /nfs/dbraw/zinc/80/10/89/821801089.db2.gz FKXKIIRNBCHTML-SJORKVTESA-N 1 0 379.254 4.132 20 5 GIBDRO Cc1c([C@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181392538 821802686 /nfs/dbraw/zinc/80/26/86/821802686.db2.gz YJQWRFUAJHMNOQ-BLLLJJGKSA-N 1 0 379.254 4.050 20 5 GIBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000181551470 821877805 /nfs/dbraw/zinc/87/78/05/821877805.db2.gz AIOUGZKTMRSDPU-OAHLLOKOSA-N 1 0 381.354 4.293 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000181826465 822008149 /nfs/dbraw/zinc/00/81/49/822008149.db2.gz GEYURIKCZWSMMA-KGLIPLIRSA-N 1 0 375.856 4.085 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000181828404 822009701 /nfs/dbraw/zinc/00/97/01/822009701.db2.gz HPRLSDFVLHRSFZ-ZIAGYGMSSA-N 1 0 391.418 4.052 20 5 GIBDRO CCC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000181848861 822016408 /nfs/dbraw/zinc/01/64/08/822016408.db2.gz OSCBUFPMPYMLEE-MRXNPFEDSA-N 1 0 395.381 4.344 20 5 GIBDRO COc1ccc([C@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1F ZINC000182002077 822059058 /nfs/dbraw/zinc/05/90/58/822059058.db2.gz FETPFQADQVGXMS-ZDUSSCGKSA-N 1 0 385.395 4.291 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000182160820 822123914 /nfs/dbraw/zinc/12/39/14/822123914.db2.gz GPUVYYFUWGGACV-LCIZUOBNSA-N 1 0 392.402 4.453 20 5 GIBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000178168025 822339335 /nfs/dbraw/zinc/33/93/35/822339335.db2.gz IJYSGHHVCSFTOC-HNNXBMFYSA-N 1 0 392.253 4.037 20 5 GIBDRO C[C@H]([NH3+])c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000178217718 822354776 /nfs/dbraw/zinc/35/47/76/822354776.db2.gz ZFQRNVJNTBVNBK-NSHDSACASA-N 1 0 396.369 4.074 20 5 GIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182788802 822367585 /nfs/dbraw/zinc/36/75/85/822367585.db2.gz RREGZFKPLBFVQW-CYBMUJFWSA-N 1 0 380.391 4.407 20 5 GIBDRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178683168 822402732 /nfs/dbraw/zinc/40/27/32/822402732.db2.gz UWLQFXRYWSFBSV-CHWSQXEVSA-N 1 0 391.855 4.243 20 5 GIBDRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178683181 822402753 /nfs/dbraw/zinc/40/27/53/822402753.db2.gz UWLQFXRYWSFBSV-QWHCGFSZSA-N 1 0 391.855 4.243 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1[N+](=O)[O-] ZINC000178686530 822402866 /nfs/dbraw/zinc/40/28/66/822402866.db2.gz GMPBWUDEMHUXOO-AWEZNQCLSA-N 1 0 378.428 4.349 20 5 GIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178684882 822402974 /nfs/dbraw/zinc/40/29/74/822402974.db2.gz SPGBYKCCUSYAEV-JKSUJKDBSA-N 1 0 380.448 4.319 20 5 GIBDRO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000183257636 822449294 /nfs/dbraw/zinc/44/92/94/822449294.db2.gz JQTCRPHMWBEKEX-IBGZPJMESA-N 1 0 381.432 4.235 20 5 GIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183581807 822497318 /nfs/dbraw/zinc/49/73/18/822497318.db2.gz BDHRJAJBMVWEES-INIZCTEOSA-N 1 0 380.448 4.419 20 5 GIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1F ZINC000179632985 822516636 /nfs/dbraw/zinc/51/66/36/822516636.db2.gz BBTILVVVWBSKDN-MRXNPFEDSA-N 1 0 377.391 4.251 20 5 GIBDRO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000046794633 822517796 /nfs/dbraw/zinc/51/77/96/822517796.db2.gz ZVJSXBMTVBWKBQ-KRWDZBQOSA-N 1 0 381.476 4.208 20 5 GIBDRO COc1cc(C[N@H+](C)Cc2ccncc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000183743712 822520823 /nfs/dbraw/zinc/52/08/23/822520823.db2.gz OUCVNTYCMSEERU-UHFFFAOYSA-N 1 0 393.443 4.209 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179684443 822526690 /nfs/dbraw/zinc/52/66/90/822526690.db2.gz OZQPDEZFLFNEND-INIZCTEOSA-N 1 0 393.443 4.428 20 5 GIBDRO Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000183775169 822526787 /nfs/dbraw/zinc/52/67/87/822526787.db2.gz MRJVGKOJUMKBFM-UHFFFAOYSA-N 1 0 390.871 4.059 20 5 GIBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000179693284 822528627 /nfs/dbraw/zinc/52/86/27/822528627.db2.gz GYLPKHUEUINVPA-QGZVFWFLSA-N 1 0 393.443 4.298 20 5 GIBDRO COc1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000183821068 822532048 /nfs/dbraw/zinc/53/20/48/822532048.db2.gz OQYQETBKAHJFPW-UHFFFAOYSA-N 1 0 390.237 4.137 20 5 GIBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179723476 822535364 /nfs/dbraw/zinc/53/53/64/822535364.db2.gz RCZNQNCQWOSOKJ-OCCSQVGLSA-N 1 0 393.390 4.264 20 5 GIBDRO O=C(C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000180139257 822624389 /nfs/dbraw/zinc/62/43/89/822624389.db2.gz KDXURMNVDYVEAL-GOSISDBHSA-N 1 0 393.365 4.293 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000180155060 822628433 /nfs/dbraw/zinc/62/84/33/822628433.db2.gz XVWXTNNYWBIJJX-DNVCBOLYSA-N 1 0 393.409 4.158 20 5 GIBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000184520982 822649934 /nfs/dbraw/zinc/64/99/34/822649934.db2.gz WPSPNXMMPHEEPX-YCRPNKLZSA-N 1 0 399.466 4.138 20 5 GIBDRO COc1ccc(COCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000180263351 822650791 /nfs/dbraw/zinc/65/07/91/822650791.db2.gz PTQYTMVDARLBKP-UHFFFAOYSA-N 1 0 399.472 4.033 20 5 GIBDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184628639 822668192 /nfs/dbraw/zinc/66/81/92/822668192.db2.gz NGBYRTFRTJEIPR-SOLBZPMBSA-N 1 0 399.466 4.007 20 5 GIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2ccccc2)c1 ZINC000180381870 822673280 /nfs/dbraw/zinc/67/32/80/822673280.db2.gz QXFPRBNOXPUHHO-LJQANCHMSA-N 1 0 393.409 4.301 20 5 GIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000180407949 822676639 /nfs/dbraw/zinc/67/66/39/822676639.db2.gz JKDNAKWMBWIMAF-KRWDZBQOSA-N 1 0 381.476 4.380 20 5 GIBDRO Cn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2cccs2)n1 ZINC000180431958 822680652 /nfs/dbraw/zinc/68/06/52/822680652.db2.gz JSQCIWPEPDHJAK-UHFFFAOYSA-N 1 0 398.488 4.100 20 5 GIBDRO COCCC1(C[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000184722934 822682011 /nfs/dbraw/zinc/68/20/11/822682011.db2.gz HDAHFECKCJJWQP-AWEZNQCLSA-N 1 0 397.903 4.152 20 5 GIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cc(F)c(F)c(F)c1 ZINC000180490538 822690358 /nfs/dbraw/zinc/69/03/58/822690358.db2.gz ZAUJRALSSAZHFI-UHFFFAOYSA-N 1 0 391.349 4.342 20 5 GIBDRO CC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000455947636 822756109 /nfs/dbraw/zinc/75/61/09/822756109.db2.gz XPUOHXPHTFCSFA-VQTJNVASSA-N 1 0 382.464 4.417 20 5 GIBDRO CSC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOCC1 ZINC000174564287 822805518 /nfs/dbraw/zinc/80/55/18/822805518.db2.gz VYEYHYBNBWDKFT-UHFFFAOYSA-N 1 0 378.519 4.325 20 5 GIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174827357 822842624 /nfs/dbraw/zinc/84/26/24/822842624.db2.gz QQDBQJXCULJPJR-UHFFFAOYSA-N 1 0 383.876 4.080 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)c1 ZINC000186434328 822894780 /nfs/dbraw/zinc/89/47/80/822894780.db2.gz VQVYQMPTTDLQFA-QFIPXVFZSA-N 1 0 376.412 4.486 20 5 GIBDRO CSc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000186563333 822913891 /nfs/dbraw/zinc/91/38/91/822913891.db2.gz LNLNUVRDLCETDH-MRXNPFEDSA-N 1 0 399.516 4.053 20 5 GIBDRO Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458260292 822974864 /nfs/dbraw/zinc/97/48/64/822974864.db2.gz HGXLSHZSBMAQOR-UHFFFAOYSA-N 1 0 381.354 4.236 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000411189578 823555608 /nfs/dbraw/zinc/55/56/08/823555608.db2.gz SVFUXRWMGQEJRL-IBGZPJMESA-N 1 0 383.448 4.078 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000061003532 823572335 /nfs/dbraw/zinc/57/23/35/823572335.db2.gz GYYZLZLOOVJAMZ-UHFFFAOYSA-N 1 0 376.840 4.434 20 5 GIBDRO COc1ccc([C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000061013601 823572863 /nfs/dbraw/zinc/57/28/63/823572863.db2.gz JAWZEKYBCYYDDD-QFIPXVFZSA-N 1 0 383.492 4.229 20 5 GIBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000411888213 823613159 /nfs/dbraw/zinc/61/31/59/823613159.db2.gz PYPCFHZSOIGSSZ-HNNXBMFYSA-N 1 0 380.391 4.488 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412240459 823638891 /nfs/dbraw/zinc/63/88/91/823638891.db2.gz FZUYKBLOMHPHIN-LEWJYISDSA-N 1 0 387.524 4.059 20 5 GIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000191189063 823657799 /nfs/dbraw/zinc/65/77/99/823657799.db2.gz UFVVRLNNSFLXJG-UHFFFAOYSA-N 1 0 389.459 4.499 20 5 GIBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000191381450 823678586 /nfs/dbraw/zinc/67/85/86/823678586.db2.gz UPNCDJWDFVLHSJ-SFHVURJKSA-N 1 0 388.512 4.187 20 5 GIBDRO CCC[NH+](CCC)CCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000461696592 823683025 /nfs/dbraw/zinc/68/30/25/823683025.db2.gz CKFZOPKIYMNZMF-LJQANCHMSA-N 1 0 379.526 4.071 20 5 GIBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000063739014 823692768 /nfs/dbraw/zinc/69/27/68/823692768.db2.gz CGUXFWRYDPQCSV-QGZVFWFLSA-N 1 0 381.476 4.358 20 5 GIBDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000063777845 823695256 /nfs/dbraw/zinc/69/52/56/823695256.db2.gz YIPZONFFOSNORX-UHFFFAOYSA-N 1 0 382.464 4.293 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000574587262 823772872 /nfs/dbraw/zinc/77/28/72/823772872.db2.gz XKZZSJLOZGNGIL-INIZCTEOSA-N 1 0 399.413 4.286 20 5 GIBDRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000064236929 823777875 /nfs/dbraw/zinc/77/78/75/823777875.db2.gz AJICFSBMCVVCTF-UWJYYQICSA-N 1 0 396.491 4.101 20 5 GIBDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000574834864 823837497 /nfs/dbraw/zinc/83/74/97/823837497.db2.gz RQTMAUIZQRNHNU-IPELMVKDSA-N 1 0 399.495 4.049 20 5 GIBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000192037337 823840106 /nfs/dbraw/zinc/84/01/06/823840106.db2.gz KXXNVUMAYMCZSD-QAPCUYQASA-N 1 0 380.803 4.016 20 5 GIBDRO CSc1nnc(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1CC(C)C ZINC000165675333 823858362 /nfs/dbraw/zinc/85/83/62/823858362.db2.gz JOGBQAPAEFFZOW-HNNXBMFYSA-N 1 0 391.541 4.156 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192107621 823862731 /nfs/dbraw/zinc/86/27/31/823862731.db2.gz KHEDBMQKIRUHKY-SJLPKXTDSA-N 1 0 380.803 4.016 20 5 GIBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)C2 ZINC000574979293 823878607 /nfs/dbraw/zinc/87/86/07/823878607.db2.gz BKUAGZXWVGNVSS-UHFFFAOYSA-N 1 0 386.448 4.254 20 5 GIBDRO CCC[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414181605 823924003 /nfs/dbraw/zinc/92/40/03/823924003.db2.gz MOFUWOOWQUVMMY-QILLFSRXSA-N 1 0 376.478 4.360 20 5 GIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000462390531 823956682 /nfs/dbraw/zinc/95/66/82/823956682.db2.gz VEOBPYKARVKTGH-QUCCMNQESA-N 1 0 399.491 4.100 20 5 GIBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCC[NH2+]C2)ccc1Oc1ccccc1Cl ZINC000414831122 824040405 /nfs/dbraw/zinc/04/04/05/824040405.db2.gz POGXGXVGBFKXMG-OAHLLOKOSA-N 1 0 375.856 4.130 20 5 GIBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414937609 824052461 /nfs/dbraw/zinc/05/24/61/824052461.db2.gz HWEOIIKKTAQMAH-CJNGLKHVSA-N 1 0 375.856 4.128 20 5 GIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc([N+](=O)[O-])ccn4)CC3)CC2)cc1 ZINC001164760244 721042078 /nfs/dbraw/zinc/04/20/78/721042078.db2.gz BWDRNYLOOHBCCI-UHFFFAOYSA-N 1 0 380.492 4.181 20 5 GIBDRO Cc1ccc(-c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)cc1[N+](=O)[O-] ZINC001165050116 721973972 /nfs/dbraw/zinc/97/39/72/721973972.db2.gz UKVPDBZBPBMUBD-LJQANCHMSA-N 1 0 395.507 4.205 20 5 GIBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993240 722195070 /nfs/dbraw/zinc/19/50/70/722195070.db2.gz DFUQTJKRZLRUHE-LJQANCHMSA-N 1 0 390.846 4.027 20 5 GIBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000175831187 823050088 /nfs/dbraw/zinc/05/00/88/823050088.db2.gz GVTKXOPIWSORBT-AEFFLSMTSA-N 1 0 376.478 4.013 20 5 GIBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175842478 823052740 /nfs/dbraw/zinc/05/27/40/823052740.db2.gz APNYZKYLIFICON-WBVHZDCISA-N 1 0 376.478 4.143 20 5 GIBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc([C@H]([NH3+])CC(C)C)no2)cc1 ZINC000570718079 823075448 /nfs/dbraw/zinc/07/54/48/823075448.db2.gz OFVFMUNBNVGCMQ-QGZVFWFLSA-N 1 0 398.419 4.492 20 5 GIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000056196780 823100849 /nfs/dbraw/zinc/10/08/49/823100849.db2.gz HKSGGEBYVJPXEO-VXGBXAGGSA-N 1 0 381.354 4.291 20 5 GIBDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000121129738 823123302 /nfs/dbraw/zinc/12/33/02/823123302.db2.gz AYAOSMIGOBJVRT-GFCCVEGCSA-N 1 0 381.354 4.121 20 5 GIBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121419097 823180983 /nfs/dbraw/zinc/18/09/83/823180983.db2.gz YKEWEXJOTLRDMD-CJNGLKHVSA-N 1 0 382.395 4.162 20 5 GIBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1Cl ZINC000176611301 823248242 /nfs/dbraw/zinc/24/82/42/823248242.db2.gz UDEMNHSEZFOIBY-UHFFFAOYSA-N 1 0 398.246 4.094 20 5 GIBDRO C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000188512152 823253896 /nfs/dbraw/zinc/25/38/96/823253896.db2.gz VHFPMSJIEMZOKL-QGZVFWFLSA-N 1 0 381.476 4.074 20 5 GIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCCC[C@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000121824132 823258113 /nfs/dbraw/zinc/25/81/13/823258113.db2.gz AZGZARKHDNEHSZ-WMLDXEAASA-N 1 0 385.420 4.197 20 5 GIBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1-n1cccn1 ZINC000121880198 823269338 /nfs/dbraw/zinc/26/93/38/823269338.db2.gz ZSEDWUZGAOIURJ-KRWDZBQOSA-N 1 0 391.475 4.100 20 5 GIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2cccnc2)cc1 ZINC000176747357 823283707 /nfs/dbraw/zinc/28/37/07/823283707.db2.gz SVNMTUAUDXYMMH-HNNXBMFYSA-N 1 0 391.427 4.374 20 5 GIBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460131290 823290777 /nfs/dbraw/zinc/29/07/77/823290777.db2.gz ZZMCDVJNWRHGIV-IBGZPJMESA-N 1 0 382.464 4.032 20 5 GIBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000008269360 818027259 /nfs/dbraw/zinc/02/72/59/818027259.db2.gz AKXOIBXXFYONRL-CQSZACIVSA-N 1 0 379.416 4.046 20 5 GIBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000011102289 818051899 /nfs/dbraw/zinc/05/18/99/818051899.db2.gz GPTXYYSGYPCTST-DJJJIMSYSA-N 1 0 389.427 4.056 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1 ZINC000188800145 823308256 /nfs/dbraw/zinc/30/82/56/823308256.db2.gz HZXXSOLYVXASTF-HOCLYGCPSA-N 1 0 376.840 4.291 20 5 GIBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000122163556 823315306 /nfs/dbraw/zinc/31/53/06/823315306.db2.gz VMCDHAFMPHPVPX-CQSZACIVSA-N 1 0 390.509 4.252 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cc1[N+](=O)[O-] ZINC000122335651 823340130 /nfs/dbraw/zinc/34/01/30/823340130.db2.gz IFCPHYWEGDHKHH-QGZVFWFLSA-N 1 0 382.508 4.289 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000019538790 818593959 /nfs/dbraw/zinc/59/39/59/818593959.db2.gz ZASXAJKPWDWOBJ-JOCHJYFZSA-N 1 0 389.455 4.415 20 5 GIBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000122443271 823354891 /nfs/dbraw/zinc/35/48/91/823354891.db2.gz MHPFUQCLIVOMFI-MRXNPFEDSA-N 1 0 391.493 4.113 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCC(F)(F)F)CC3CC3)o2)c1 ZINC000177172814 823390801 /nfs/dbraw/zinc/39/08/01/823390801.db2.gz BMGZXPXOMYLPLO-UHFFFAOYSA-N 1 0 383.370 4.457 20 5 GIBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000460471400 823400211 /nfs/dbraw/zinc/40/02/11/823400211.db2.gz MWAJKNCOHRONCH-UHFFFAOYSA-N 1 0 389.883 4.197 20 5 GIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572805112 823402243 /nfs/dbraw/zinc/40/22/43/823402243.db2.gz HMEXRYXNPPUFHZ-LJQANCHMSA-N 1 0 396.491 4.327 20 5 GIBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177344606 823440811 /nfs/dbraw/zinc/44/08/11/823440811.db2.gz YERVUFQIKOUKKH-UHFFFAOYSA-N 1 0 391.855 4.026 20 5 GIBDRO COc1cc(NC2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000177370409 823447302 /nfs/dbraw/zinc/44/73/02/823447302.db2.gz BGIMVPHIHSHUSS-HNNXBMFYSA-N 1 0 385.464 4.250 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000026925082 820165123 /nfs/dbraw/zinc/16/51/23/820165123.db2.gz DEFGMJHYMWABRK-AWEZNQCLSA-N 1 0 397.431 4.371 20 5 GIBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028167576 820314727 /nfs/dbraw/zinc/31/47/27/820314727.db2.gz QNGKDTVNFJUXSR-OAHLLOKOSA-N 1 0 385.489 4.310 20 5 GIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000410379435 823481286 /nfs/dbraw/zinc/48/12/86/823481286.db2.gz DKMSPYQUCIIDKZ-INIZCTEOSA-N 1 0 382.464 4.291 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000123291871 823491442 /nfs/dbraw/zinc/49/14/42/823491442.db2.gz AVYXRVOJWOOLLU-CCNLRDMRSA-N 1 0 389.496 4.484 20 5 GIBDRO CCO[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000177583435 823496395 /nfs/dbraw/zinc/49/63/95/823496395.db2.gz IOFQYDGPZLQJMX-HXUWFJFHSA-N 1 0 386.496 4.070 20 5 GIBDRO CCCNC(=O)CN1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000030911856 820707469 /nfs/dbraw/zinc/70/74/69/820707469.db2.gz VUOHLTUNDOVIEM-UHFFFAOYSA-N 1 0 389.543 4.073 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccsc1 ZINC000031985611 820884462 /nfs/dbraw/zinc/88/44/62/820884462.db2.gz QJZMNQKWOFIQJF-QGZVFWFLSA-N 1 0 393.534 4.191 20 5 GIBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000123764658 823538606 /nfs/dbraw/zinc/53/86/06/823538606.db2.gz JWXQCNLPLNJOJT-UHFFFAOYSA-N 1 0 381.904 4.222 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)c3ccccc3Cl)cs2)c1 ZINC000123795051 823541505 /nfs/dbraw/zinc/54/15/05/823541505.db2.gz CYJZXNLRQMIUAQ-QGZVFWFLSA-N 1 0 389.864 4.195 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000180719423 821416261 /nfs/dbraw/zinc/41/62/61/821416261.db2.gz NTFRXNSKXJFYGE-UHFFFAOYSA-N 1 0 387.505 4.087 20 5 GIBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000180719957 821416277 /nfs/dbraw/zinc/41/62/77/821416277.db2.gz JTGGOKSJKTZZJO-UHFFFAOYSA-N 1 0 387.505 4.087 20 5 GIBDRO Cc1c([C@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)cccc1[N+](=O)[O-] ZINC000180901504 821525474 /nfs/dbraw/zinc/52/54/74/821525474.db2.gz LXUQCACWLOIYKQ-ZDUSSCGKSA-N 1 0 386.839 4.500 20 5 GIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181006297 821588600 /nfs/dbraw/zinc/58/86/00/821588600.db2.gz ZDWZVQCIVLVINB-HNNXBMFYSA-N 1 0 382.489 4.267 20 5 GIBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000044877271 821676341 /nfs/dbraw/zinc/67/63/41/821676341.db2.gz QVCBUQGSIRBFTM-HGZMWJMZSA-N 1 0 393.487 4.156 20 5 GIBDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181234511 821711108 /nfs/dbraw/zinc/71/11/08/821711108.db2.gz RJZQHHXFQBAWRK-GJZGRUSLSA-N 1 0 391.493 4.077 20 5 GIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181388546 821800614 /nfs/dbraw/zinc/80/06/14/821800614.db2.gz MZZCHBWWZGRFPZ-SJKOYZFVSA-N 1 0 379.254 4.050 20 5 GIBDRO CCC[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181799530 821997549 /nfs/dbraw/zinc/99/75/49/821997549.db2.gz XIFWXZPPOANFGL-NQIIRXRSSA-N 1 0 381.476 4.074 20 5 GIBDRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835556 822012364 /nfs/dbraw/zinc/01/23/64/822012364.db2.gz JSIFFFPCBLRHQZ-RHSMWYFYSA-N 1 0 387.505 4.151 20 5 GIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182431893 822240779 /nfs/dbraw/zinc/24/07/79/822240779.db2.gz LGOPQQIFPZZTKG-LBPRGKRZSA-N 1 0 381.354 4.211 20 5 GIBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182556958 822300569 /nfs/dbraw/zinc/30/05/69/822300569.db2.gz PHWSXWXOMSXGPG-UHFFFAOYSA-N 1 0 381.904 4.109 20 5 GIBDRO COc1ccccc1NC(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182858192 822380344 /nfs/dbraw/zinc/38/03/44/822380344.db2.gz IHHUCJACETUKTQ-INIZCTEOSA-N 1 0 397.475 4.324 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000178682120 822402435 /nfs/dbraw/zinc/40/24/35/822402435.db2.gz DPKMLKHCMXWFCI-STQMWFEESA-N 1 0 393.390 4.182 20 5 GIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000178683492 822402685 /nfs/dbraw/zinc/40/26/85/822402685.db2.gz MSNNWIGDEYYWPB-NWDGAFQWSA-N 1 0 379.819 4.374 20 5 GIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000179208153 822451201 /nfs/dbraw/zinc/45/12/01/822451201.db2.gz XMDKJSQDECCOPD-INIZCTEOSA-N 1 0 377.238 4.143 20 5 GIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000179501824 822492293 /nfs/dbraw/zinc/49/22/93/822492293.db2.gz JNMYZSKPKYEARN-APPDUMDISA-N 1 0 382.819 4.170 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC(F)F)c1 ZINC000179574751 822505683 /nfs/dbraw/zinc/50/56/83/822505683.db2.gz RTAUJADAVIAHNQ-SNVBAGLBSA-N 1 0 399.781 4.139 20 5 GIBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000179611883 822512623 /nfs/dbraw/zinc/51/26/23/822512623.db2.gz BVPCOQIEMGVSSY-CYBMUJFWSA-N 1 0 393.390 4.184 20 5 GIBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184469341 822641371 /nfs/dbraw/zinc/64/13/71/822641371.db2.gz NSGZRYARLDRMBD-LBPRGKRZSA-N 1 0 376.482 4.028 20 5 GIBDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3C)oc21 ZINC000180357126 822669730 /nfs/dbraw/zinc/66/97/30/822669730.db2.gz KGFDQBHWWUFSGI-AWEZNQCLSA-N 1 0 397.431 4.337 20 5 GIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180456516 822685747 /nfs/dbraw/zinc/68/57/47/822685747.db2.gz YPACZCXNXKKYMT-LLVKDONJSA-N 1 0 381.404 4.199 20 5 GIBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180456766 822685793 /nfs/dbraw/zinc/68/57/93/822685793.db2.gz HYRDXWFHWBLGDW-KRWDZBQOSA-N 1 0 389.455 4.475 20 5 GIBDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000185006588 822724469 /nfs/dbraw/zinc/72/44/69/822724469.db2.gz JDUTVBULZILWHJ-FZKQIMNGSA-N 1 0 393.484 4.098 20 5 GIBDRO O=[N+]([O-])c1cc(Cl)c(NC2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000185204446 822749230 /nfs/dbraw/zinc/74/92/30/822749230.db2.gz JGXSQNVQCNNNJV-UHFFFAOYSA-N 1 0 381.263 4.373 20 5 GIBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 ZINC000456281977 822793742 /nfs/dbraw/zinc/79/37/42/822793742.db2.gz RPTNRLBHQVYTNY-INIZCTEOSA-N 1 0 393.365 4.415 20 5 GIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000052994056 822817942 /nfs/dbraw/zinc/81/79/42/822817942.db2.gz WOLYLRAURVMOGZ-UHFFFAOYSA-N 1 0 391.537 4.045 20 5 GIBDRO Cn1nc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000186481722 822902469 /nfs/dbraw/zinc/90/24/69/822902469.db2.gz MVDDUDDJJYWSLA-LPHOPBHVSA-N 1 0 378.476 4.025 20 5 GIBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569614240 822944884 /nfs/dbraw/zinc/94/48/84/822944884.db2.gz JKXJFBXUJBJZKX-DLBZAZTESA-N 1 0 393.438 4.034 20 5 GIBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186735758 822947378 /nfs/dbraw/zinc/94/73/78/822947378.db2.gz MWYLKWVCIWUQIV-DOTOQJQBSA-N 1 0 399.516 4.100 20 5 GIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000570116698 823007278 /nfs/dbraw/zinc/00/72/78/823007278.db2.gz BKIAOEZYYRVGKU-MRXNPFEDSA-N 1 0 385.464 4.058 20 5 GIBDRO CSc1cccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000187109520 823011708 /nfs/dbraw/zinc/01/17/08/823011708.db2.gz GKBPPBWXVXQLIK-UHFFFAOYSA-N 1 0 379.526 4.091 20 5 GIBDRO Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000175647461 823012527 /nfs/dbraw/zinc/01/25/27/823012527.db2.gz FCTSUTWDKQKVLH-QGZVFWFLSA-N 1 0 396.491 4.059 20 5 GIBDRO Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000175732473 823028611 /nfs/dbraw/zinc/02/86/11/823028611.db2.gz JZUKWZHAIVMGLS-QGZVFWFLSA-N 1 0 398.507 4.304 20 5 GIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411177630 823554694 /nfs/dbraw/zinc/55/46/94/823554694.db2.gz WHCKTPRSTQABDH-MRXNPFEDSA-N 1 0 389.477 4.003 20 5 GIBDRO Cc1cc(NC[C@H](c2ccccc2)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858207 823562740 /nfs/dbraw/zinc/56/27/40/823562740.db2.gz YTQKMVBZUUXWRO-LJQANCHMSA-N 1 0 377.448 4.075 20 5 GIBDRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000461095838 823576086 /nfs/dbraw/zinc/57/60/86/823576086.db2.gz DSTLPTLBGRMVGO-YOEHRIQHSA-N 1 0 390.505 4.152 20 5 GIBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCCCF)c1ccccc1 ZINC000461099568 823576990 /nfs/dbraw/zinc/57/69/90/823576990.db2.gz SYGAEMYTYVXJGR-QGZVFWFLSA-N 1 0 379.819 4.267 20 5 GIBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000411725245 823600440 /nfs/dbraw/zinc/60/04/40/823600440.db2.gz NPWKOBKGDXYRGK-KXBFYZLASA-N 1 0 383.448 4.015 20 5 GIBDRO Cn1cc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124539559 823604803 /nfs/dbraw/zinc/60/48/03/823604803.db2.gz QNIIPHCTFQWRAQ-UHFFFAOYSA-N 1 0 392.459 4.081 20 5 GIBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000461274336 823610657 /nfs/dbraw/zinc/61/06/57/823610657.db2.gz XFLRZHOBLDQBPO-KRWDZBQOSA-N 1 0 397.475 4.334 20 5 GIBDRO CC(C)Oc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000412381657 823651014 /nfs/dbraw/zinc/65/10/14/823651014.db2.gz UOCBGYWWQBPDCC-SFHVURJKSA-N 1 0 383.448 4.183 20 5 GIBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461561632 823660004 /nfs/dbraw/zinc/66/00/04/823660004.db2.gz BRZUWBSPENBAIB-UHFFFAOYSA-N 1 0 393.487 4.256 20 5 GIBDRO COc1cccc(-c2noc([C@H](C)[NH2+][C@H](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000191565777 823700830 /nfs/dbraw/zinc/70/08/30/823700830.db2.gz CPWKJKATJIZXIA-CABCVRRESA-N 1 0 396.447 4.325 20 5 GIBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125777534 823707956 /nfs/dbraw/zinc/70/79/56/823707956.db2.gz WDJXTQZXXOGMLV-MRXNPFEDSA-N 1 0 393.553 4.193 20 5 GIBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413208827 823728412 /nfs/dbraw/zinc/72/84/12/823728412.db2.gz SLYQKYRPQTWDTJ-GFCCVEGCSA-N 1 0 395.385 4.041 20 5 GIBDRO C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125939409 823749289 /nfs/dbraw/zinc/74/92/89/823749289.db2.gz YGFZOZNNGQWXTH-YJYMSZOUSA-N 1 0 381.457 4.201 20 5 GIBDRO Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2ccnn2C)c1 ZINC000574826870 823835853 /nfs/dbraw/zinc/83/58/53/823835853.db2.gz MOOOFZHFTKYJGL-UHFFFAOYSA-N 1 0 376.460 4.468 20 5 GIBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000192037332 823840010 /nfs/dbraw/zinc/84/00/10/823840010.db2.gz KXXNVUMAYMCZSD-MAUKXSAKSA-N 1 0 380.803 4.016 20 5 GIBDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000126420694 823862201 /nfs/dbraw/zinc/86/22/01/823862201.db2.gz XRIGNAHCWDKUPX-FQEVSTJZSA-N 1 0 382.416 4.029 20 5 GIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cs2)c1 ZINC000168894518 823906560 /nfs/dbraw/zinc/90/65/60/823906560.db2.gz VFIMDHSPTVYMMP-KSZLIROESA-N 1 0 385.489 4.156 20 5 GIBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000462390532 823956623 /nfs/dbraw/zinc/95/66/23/823956623.db2.gz VEOBPYKARVKTGH-UYAOXDASSA-N 1 0 399.491 4.100 20 5 GIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(c4ccncn4)CC3)s2)cc1 ZINC000414473832 823991161 /nfs/dbraw/zinc/99/11/61/823991161.db2.gz WJONTDAHWGPEFO-UHFFFAOYSA-N 1 0 380.473 4.493 20 5 GIBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414599042 824017222 /nfs/dbraw/zinc/01/72/22/824017222.db2.gz YXKWMFYFWDFVLP-RTBURBONSA-N 1 0 394.427 4.421 20 5 GIBDRO