smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005447438 204209948 /nfs/dbraw/zinc/20/99/48/204209948.db2.gz QYHGDUIFCYJAES-MJGOQNOKSA-N 1 1 351.406 3.351 50 5 FGBAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1[N+](=O)[O-] ZINC000006857628 204276929 /nfs/dbraw/zinc/27/69/29/204276929.db2.gz LWUYHGORGFTNIW-HNNXBMFYSA-N 1 1 374.422 3.082 50 5 FGBAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1[N+](=O)[O-] ZINC000006857628 204276931 /nfs/dbraw/zinc/27/69/31/204276931.db2.gz LWUYHGORGFTNIW-HNNXBMFYSA-N 1 1 374.422 3.082 50 5 FGBAMO Cc1c(NC(=O)CC[N@H+](C[C@H](C)O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000058357686 205272666 /nfs/dbraw/zinc/27/26/66/205272666.db2.gz TWHZOBKNZGVAKM-AWEZNQCLSA-N 1 1 363.458 3.247 50 5 FGBAMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000052715263 206222313 /nfs/dbraw/zinc/22/23/13/206222313.db2.gz DCKVMESPPLJNGH-LJQANCHMSA-N 1 1 369.421 3.249 50 5 FGBAMO COc1ccc(NC(=O)CC[N@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000072305249 494150036 /nfs/dbraw/zinc/15/00/36/494150036.db2.gz IDIUXGRAFBTGHQ-INIZCTEOSA-N 1 1 367.471 3.005 50 5 FGBAMO CCOc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000058162922 206391679 /nfs/dbraw/zinc/39/16/79/206391679.db2.gz RYOSNUFGNJSMIG-CQSZACIVSA-N 1 1 363.458 3.234 50 5 FGBAMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000057799194 136130166 /nfs/dbraw/zinc/13/01/66/136130166.db2.gz NWJQQSWRIMKTEW-UHFFFAOYSA-N 1 1 359.401 3.325 50 5 FGBAMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCc2ccccc2C1 ZINC000029174544 493822942 /nfs/dbraw/zinc/82/29/42/493822942.db2.gz GYCJOMIBWJVPSS-MRXNPFEDSA-N 1 1 373.478 3.469 50 5 FGBAMO CN1CCC([N@@H+](C)C[C@@H](Nc2ncccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000058439954 205275527 /nfs/dbraw/zinc/27/55/27/205275527.db2.gz ZJQXIHGARKTEOR-GOSISDBHSA-N 1 1 369.469 3.169 50 5 FGBAMO CN(C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1)C1CC[NH+](C)CC1 ZINC000058439954 205275532 /nfs/dbraw/zinc/27/55/32/205275532.db2.gz ZJQXIHGARKTEOR-GOSISDBHSA-N 1 1 369.469 3.169 50 5 FGBAMO COc1ccc(C[NH+]2CCN(c3cc(C)c(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000063121404 136132889 /nfs/dbraw/zinc/13/28/89/136132889.db2.gz JGOYVWLVUAMBDM-UHFFFAOYSA-N 1 1 359.401 3.373 50 5 FGBAMO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCc2ccccc2C1 ZINC000029174547 493823140 /nfs/dbraw/zinc/82/31/40/493823140.db2.gz GYCJOMIBWJVPSS-INIZCTEOSA-N 1 1 373.478 3.469 50 5 FGBAMO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(Cl)c2)CC1 ZINC000004755433 493891844 /nfs/dbraw/zinc/89/18/44/493891844.db2.gz LIZRITYTXIVFEU-UHFFFAOYSA-N 1 1 374.828 3.252 50 5 FGBAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000012776487 494257903 /nfs/dbraw/zinc/25/79/03/494257903.db2.gz QFUKBHFPDYXATQ-SFHVURJKSA-N 1 1 369.421 3.430 50 5 FGBAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000095430322 494974772 /nfs/dbraw/zinc/97/47/72/494974772.db2.gz UFVFVONGLZTRAY-NSHDSACASA-N 1 1 363.801 3.206 50 5 FGBAMO C[NH+]1CCN(C(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)CC1 ZINC000114193322 571321263 /nfs/dbraw/zinc/32/12/63/571321263.db2.gz BLSWPPPBUQFKHH-UHFFFAOYSA-N 1 1 364.405 3.131 50 5 in-vitro FGBAMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3cccc(Cl)c3)CC2)cc1 ZINC000057383345 136129087 /nfs/dbraw/zinc/12/90/87/136129087.db2.gz FBCOWDGYXKKURZ-UHFFFAOYSA-N 1 1 361.829 3.449 50 5 FGBAMO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000012785122 494259149 /nfs/dbraw/zinc/25/91/49/494259149.db2.gz VKDDHFNCUOXJQE-MSOLQXFVSA-N 1 1 373.796 3.303 50 5 FGBAMO Fc1ccc2c(c1)c1nc3ccccc3nc1n2CC[NH+]1CCOCC1 ZINC000020624788 494478032 /nfs/dbraw/zinc/47/80/32/494478032.db2.gz JNHJATFQKBFXFU-UHFFFAOYSA-N 1 1 350.397 3.209 50 5 FGBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004524269 204144276 /nfs/dbraw/zinc/14/42/76/204144276.db2.gz QYHGDUIFCYJAES-HKUYNNGSSA-N 1 1 351.406 3.351 50 5 FGBAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000030658079 204911819 /nfs/dbraw/zinc/91/18/19/204911819.db2.gz LKKSVDDGWOGIHP-UHFFFAOYSA-N 1 1 364.405 3.386 50 5 FGBAMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000058245777 205267797 /nfs/dbraw/zinc/26/77/97/205267797.db2.gz LUKRCOSRGIBZJN-KGLIPLIRSA-N 1 1 351.422 3.251 50 5 FGBAMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@H]1C[NH+]2CCC1CC2 ZINC000004688313 206238108 /nfs/dbraw/zinc/23/81/08/206238108.db2.gz OLXWBBKSCMYOAT-JTQLQIEISA-N 1 1 360.292 3.028 50 5 FGBAMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(F)cccc3Cl)C2)nc1 ZINC000084339049 494064259 /nfs/dbraw/zinc/06/42/59/494064259.db2.gz QSRJSMNDKHJHHJ-LLVKDONJSA-N 1 1 350.781 3.469 50 5 FGBAMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C2)nc1 ZINC000084339049 494064263 /nfs/dbraw/zinc/06/42/63/494064263.db2.gz QSRJSMNDKHJHHJ-LLVKDONJSA-N 1 1 350.781 3.469 50 5 FGBAMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C2)nc1 ZINC000084339048 494064845 /nfs/dbraw/zinc/06/48/45/494064845.db2.gz QSRJSMNDKHJHHJ-NSHDSACASA-N 1 1 350.781 3.469 50 5 FGBAMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C2)nc1 ZINC000084339048 494064849 /nfs/dbraw/zinc/06/48/49/494064849.db2.gz QSRJSMNDKHJHHJ-NSHDSACASA-N 1 1 350.781 3.469 50 5 FGBAMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000252494668 497305953 /nfs/dbraw/zinc/30/59/53/497305953.db2.gz OBMPDNIPVDHJPH-LLVKDONJSA-N 1 1 360.241 3.060 50 5 FGBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOc1ccccc1F ZINC000008852627 206218649 /nfs/dbraw/zinc/21/86/49/206218649.db2.gz PBCCOPLGFLVFTL-ZDUSSCGKSA-N 1 1 361.373 3.072 50 5 FGBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOc1ccccc1F ZINC000008852627 206218651 /nfs/dbraw/zinc/21/86/51/206218651.db2.gz PBCCOPLGFLVFTL-ZDUSSCGKSA-N 1 1 361.373 3.072 50 5 FGBAMO Cc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000014112912 206309938 /nfs/dbraw/zinc/30/99/38/206309938.db2.gz SEKAUMHXIDZEPL-OAHLLOKOSA-N 1 1 357.410 3.241 50 5 FGBAMO Cc1ccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000014112912 206309941 /nfs/dbraw/zinc/30/99/41/206309941.db2.gz SEKAUMHXIDZEPL-OAHLLOKOSA-N 1 1 357.410 3.241 50 5 FGBAMO CC[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000029909618 493866607 /nfs/dbraw/zinc/86/66/07/493866607.db2.gz YVZJPSAXROZUOX-LJQANCHMSA-N 1 1 367.449 3.090 50 5 FGBAMO O=[N+]([O-])c1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019810083 494461277 /nfs/dbraw/zinc/46/12/77/494461277.db2.gz OJVSLDZJERQPIN-UHFFFAOYSA-N 1 1 356.451 3.109 50 5 FGBAMO CCc1cc(N2CC[N@@H+](C)C[C@H]2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000252507127 497308394 /nfs/dbraw/zinc/30/83/94/497308394.db2.gz YXIOJLILVYGCBX-SFHVURJKSA-N 1 1 369.469 3.391 50 5 FGBAMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)s1 ZINC000328592200 498870587 /nfs/dbraw/zinc/87/05/87/498870587.db2.gz MFKWGWHTVKSDQT-OAHLLOKOSA-N 1 1 373.478 3.230 50 5 FGBAMO CC[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000003899164 204114098 /nfs/dbraw/zinc/11/40/98/204114098.db2.gz CGYVIPZWIMYSQA-UHFFFAOYSA-N 1 1 355.394 3.106 50 5 FGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000007420717 204298485 /nfs/dbraw/zinc/29/84/85/204298485.db2.gz UFHTYUBOCHOBKX-CQSZACIVSA-N 1 1 357.410 3.371 50 5 FGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC000007420717 204298489 /nfs/dbraw/zinc/29/84/89/204298489.db2.gz UFHTYUBOCHOBKX-CQSZACIVSA-N 1 1 357.410 3.371 50 5 FGBAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000054668620 205202249 /nfs/dbraw/zinc/20/22/49/205202249.db2.gz CVLKMPMJZUIVBF-KRWDZBQOSA-N 1 1 355.394 3.039 50 5 FGBAMO CCOc1ccc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000001174801 493788297 /nfs/dbraw/zinc/78/82/97/493788297.db2.gz PDBWAAKKLMOQKG-UHFFFAOYSA-N 1 1 355.438 3.311 50 5 FGBAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029838637 493860491 /nfs/dbraw/zinc/86/04/91/493860491.db2.gz WCCXGGDUFXNCKA-UHFFFAOYSA-N 1 1 373.840 3.426 50 5 FGBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000024572884 494642946 /nfs/dbraw/zinc/64/29/46/494642946.db2.gz SCQONUOLROHJMJ-UHFFFAOYSA-N 1 1 366.343 3.331 50 5 FGBAMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095995139 494993772 /nfs/dbraw/zinc/99/37/72/494993772.db2.gz IOZZOXUFQQJALR-CRAIPNDOSA-N 1 1 353.422 3.235 50 5 FGBAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000008709659 204339545 /nfs/dbraw/zinc/33/95/45/204339545.db2.gz HCFYBJKCCRWESL-INIZCTEOSA-N 1 1 357.435 3.383 50 5 FGBAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000008709659 204339549 /nfs/dbraw/zinc/33/95/49/204339549.db2.gz HCFYBJKCCRWESL-INIZCTEOSA-N 1 1 357.435 3.383 50 5 FGBAMO CCOc1ccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000001175962 493787900 /nfs/dbraw/zinc/78/79/00/493787900.db2.gz MBPZORHTBNGRQX-UHFFFAOYSA-N 1 1 355.438 3.311 50 5 FGBAMO COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000024235133 494614916 /nfs/dbraw/zinc/61/49/16/494614916.db2.gz DOHJWYBBZZSTOM-MRXNPFEDSA-N 1 1 358.398 3.028 50 5 FGBAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000024960853 494685041 /nfs/dbraw/zinc/68/50/41/494685041.db2.gz CXOVEULDMFTKFL-GASCZTMLSA-N 1 1 369.421 3.456 50 5 FGBAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000024960853 494685045 /nfs/dbraw/zinc/68/50/45/494685045.db2.gz CXOVEULDMFTKFL-GASCZTMLSA-N 1 1 369.421 3.456 50 5 FGBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000025120667 494701946 /nfs/dbraw/zinc/70/19/46/494701946.db2.gz UUJDHAIWAJHKKA-UHFFFAOYSA-N 1 1 355.394 3.207 50 5 FGBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000025120667 494701954 /nfs/dbraw/zinc/70/19/54/494701954.db2.gz UUJDHAIWAJHKKA-UHFFFAOYSA-N 1 1 355.394 3.207 50 5 FGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000007420715 207195745 /nfs/dbraw/zinc/19/57/45/207195745.db2.gz UFHTYUBOCHOBKX-AWEZNQCLSA-N 1 1 357.410 3.371 50 5 FGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000007420715 207195748 /nfs/dbraw/zinc/19/57/48/207195748.db2.gz UFHTYUBOCHOBKX-AWEZNQCLSA-N 1 1 357.410 3.371 50 5 FGBAMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000058245774 493837651 /nfs/dbraw/zinc/83/76/51/493837651.db2.gz LUKRCOSRGIBZJN-UONOGXRCSA-N 1 1 351.422 3.251 50 5 FGBAMO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000014245049 494312732 /nfs/dbraw/zinc/31/27/32/494312732.db2.gz QAZWEBRXKYBMRD-QGZVFWFLSA-N 1 1 357.410 3.453 50 5 FGBAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000055543208 494357924 /nfs/dbraw/zinc/35/79/24/494357924.db2.gz QKJCRISMEXUAQW-CYBMUJFWSA-N 1 1 353.850 3.329 50 5 FGBAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000055543208 494357926 /nfs/dbraw/zinc/35/79/26/494357926.db2.gz QKJCRISMEXUAQW-CYBMUJFWSA-N 1 1 353.850 3.329 50 5 FGBAMO Cc1cccc2c1NC1(CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC1)NC2=O ZINC000034812198 208110968 /nfs/dbraw/zinc/11/09/68/208110968.db2.gz ZGUPCJRZOFDPOG-UHFFFAOYSA-N 1 1 366.421 3.051 50 5 FGBAMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000002139157 493802411 /nfs/dbraw/zinc/80/24/11/493802411.db2.gz XFFHLKFEYXGVGD-FZKQIMNGSA-N 1 1 372.421 3.265 50 5 FGBAMO CCCC[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000059394349 535218272 /nfs/dbraw/zinc/21/82/72/535218272.db2.gz SLIOQKKBWSUJPM-UHFFFAOYSA-N 1 1 350.419 3.451 50 5 FGBAMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000032927260 208057472 /nfs/dbraw/zinc/05/74/72/208057472.db2.gz IWKRCNDMRZXWEB-CYBMUJFWSA-N 1 1 357.410 3.285 50 5 FGBAMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000032927260 208057478 /nfs/dbraw/zinc/05/74/78/208057478.db2.gz IWKRCNDMRZXWEB-CYBMUJFWSA-N 1 1 357.410 3.285 50 5 FGBAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000008709660 207243787 /nfs/dbraw/zinc/24/37/87/207243787.db2.gz HCFYBJKCCRWESL-MRXNPFEDSA-N 1 1 357.435 3.383 50 5 FGBAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000008709660 207243790 /nfs/dbraw/zinc/24/37/90/207243790.db2.gz HCFYBJKCCRWESL-MRXNPFEDSA-N 1 1 357.435 3.383 50 5 FGBAMO CN1CC[NH+](C(C)(C)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012561411 207394031 /nfs/dbraw/zinc/39/40/31/207394031.db2.gz AGNYKNKJPGNFHI-UHFFFAOYSA-N 1 1 360.380 3.052 50 5 FGBAMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000030001641 208000012 /nfs/dbraw/zinc/00/00/12/208000012.db2.gz KHZPVYUWVBFKNQ-GASCZTMLSA-N 1 1 356.426 3.211 50 5 FGBAMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030224130 493881278 /nfs/dbraw/zinc/88/12/78/493881278.db2.gz LFRRDVIHILNILU-RHSMWYFYSA-N 1 1 362.451 3.405 50 5 FGBAMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000053076306 494089624 /nfs/dbraw/zinc/08/96/24/494089624.db2.gz OAWKASZBGYROLI-QGZVFWFLSA-N 1 1 357.385 3.040 50 5 FGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000007421251 207195896 /nfs/dbraw/zinc/19/58/96/207195896.db2.gz OTQYPUGGLLLABP-CQSZACIVSA-N 1 1 357.410 3.371 50 5 FGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000007421251 207195900 /nfs/dbraw/zinc/19/59/00/207195900.db2.gz OTQYPUGGLLLABP-CQSZACIVSA-N 1 1 357.410 3.371 50 5 FGBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019782445 220297192 /nfs/dbraw/zinc/29/71/92/220297192.db2.gz URCZYSZWKKSPPH-UHFFFAOYSA-N 1 1 364.405 3.034 50 5 FGBAMO 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353.422 3.320 50 5 FGBAMO CC[NH+]1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004168636 493868505 /nfs/dbraw/zinc/86/85/05/493868505.db2.gz QEASJMCWITVOBW-UHFFFAOYSA-N 1 1 350.438 3.112 50 5 FGBAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000755564 210267826 /nfs/dbraw/zinc/26/78/26/210267826.db2.gz ACBHUKLQYWDWKE-CQSZACIVSA-N 1 1 353.850 3.329 50 5 FGBAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000755564 210267828 /nfs/dbraw/zinc/26/78/28/210267828.db2.gz ACBHUKLQYWDWKE-CQSZACIVSA-N 1 1 353.850 3.329 50 5 FGBAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000004026911 210228447 /nfs/dbraw/zinc/22/84/47/210228447.db2.gz XFFHLKFEYXGVGD-UGSOOPFHSA-N 1 1 372.421 3.265 50 5 FGBAMO O=C(CN1CCC[N@@H+](CC2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000054318025 494220177 /nfs/dbraw/zinc/22/01/77/494220177.db2.gz MFMGZYFCFIRXFH-UHFFFAOYSA-N 1 1 374.485 3.121 50 5 FGBAMO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000014245050 494312775 /nfs/dbraw/zinc/31/27/75/494312775.db2.gz QAZWEBRXKYBMRD-KRWDZBQOSA-N 1 1 357.410 3.453 50 5 FGBAMO COc1ccc2c(c1)c1nc3ccccc3nc1n2CC[NH+]1CCOCC1 ZINC000020547695 211285373 /nfs/dbraw/zinc/28/53/73/211285373.db2.gz PVQYVYPIUHVSCJ-UHFFFAOYSA-N 1 1 362.433 3.079 50 5 FGBAMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030224128 493881565 /nfs/dbraw/zinc/88/15/65/493881565.db2.gz LFRRDVIHILNILU-PBHICJAKSA-N 1 1 362.451 3.405 50 5 FGBAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000006205603 493955365 /nfs/dbraw/zinc/95/53/65/493955365.db2.gz DWTZEZQDUGIOQU-HNNXBMFYSA-N 1 1 358.423 3.463 50 5 FGBAMO CCOc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1O ZINC000019536803 494449152 /nfs/dbraw/zinc/44/91/52/494449152.db2.gz ORASIKRGBFIIJY-UHFFFAOYSA-N 1 1 357.410 3.021 50 5 FGBAMO COc1ccc(C(=O)OC[C@H]2CCC[N@@H+]2Cc2ccco2)cc1[N+](=O)[O-] ZINC000089466061 523770709 /nfs/dbraw/zinc/77/07/09/523770709.db2.gz MBNWYGGBWFKNCB-CQSZACIVSA-N 1 1 360.366 3.018 50 5 FGBAMO COc1ccc(C(=O)OC[C@H]2CCC[N@H+]2Cc2ccco2)cc1[N+](=O)[O-] ZINC000089466061 523770717 /nfs/dbraw/zinc/77/07/17/523770717.db2.gz MBNWYGGBWFKNCB-CQSZACIVSA-N 1 1 360.366 3.018 50 5 FGBAMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000015509592 211130980 /nfs/dbraw/zinc/13/09/80/211130980.db2.gz MHLWVXNRPMGIKZ-CHWSQXEVSA-N 1 1 373.409 3.290 50 5 FGBAMO CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000005064756 493911431 /nfs/dbraw/zinc/91/14/31/493911431.db2.gz FSRSBDFGQBERFO-UHFFFAOYSA-N 1 1 356.220 3.028 50 5 FGBAMO CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)[N@H+]1CCc2ccccc2C1 ZINC000032445939 493990460 /nfs/dbraw/zinc/99/04/60/493990460.db2.gz NBXAEFPQZBHLET-SFHVURJKSA-N 1 1 367.449 3.470 50 5 FGBAMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000034889309 494069017 /nfs/dbraw/zinc/06/90/17/494069017.db2.gz LFRRDVIHILNILU-YOEHRIQHSA-N 1 1 362.451 3.405 50 5 FGBAMO CN(C(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000025441753 494741289 /nfs/dbraw/zinc/74/12/89/494741289.db2.gz UZJHMNNGERKCNX-IBGZPJMESA-N 1 1 353.422 3.265 50 5 FGBAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000031662730 493954246 /nfs/dbraw/zinc/95/42/46/493954246.db2.gz NCWUXEUGADEKLS-UHFFFAOYSA-N 1 1 354.410 3.165 50 5 FGBAMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000058245776 212000178 /nfs/dbraw/zinc/00/01/78/212000178.db2.gz LUKRCOSRGIBZJN-ZIAGYGMSSA-N 1 1 351.422 3.251 50 5 FGBAMO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000032754397 494012396 /nfs/dbraw/zinc/01/23/96/494012396.db2.gz YYPPUPBPEQOLCT-ZDUSSCGKSA-N 1 1 373.409 3.244 50 5 FGBAMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000032754397 494012397 /nfs/dbraw/zinc/01/23/97/494012397.db2.gz YYPPUPBPEQOLCT-ZDUSSCGKSA-N 1 1 373.409 3.244 50 5 FGBAMO CN1CCC([N@@H+](C)C[C@H](Nc2ncccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000058439952 212010288 /nfs/dbraw/zinc/01/02/88/212010288.db2.gz ZJQXIHGARKTEOR-SFHVURJKSA-N 1 1 369.469 3.169 50 5 FGBAMO CN(C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1)C1CC[NH+](C)CC1 ZINC000058439952 212010292 /nfs/dbraw/zinc/01/02/92/212010292.db2.gz ZJQXIHGARKTEOR-SFHVURJKSA-N 1 1 369.469 3.169 50 5 FGBAMO CCOc1ccc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000001178819 210330282 /nfs/dbraw/zinc/33/02/82/210330282.db2.gz PSNZITHFEGRQJS-UHFFFAOYSA-N 1 1 355.438 3.311 50 5 FGBAMO COc1ccccc1N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000004923900 493901035 /nfs/dbraw/zinc/90/10/35/493901035.db2.gz KJMFKFSAOJIZAG-SOFGYWHQSA-N 1 1 353.422 3.439 50 5 FGBAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000095430323 494974902 /nfs/dbraw/zinc/97/49/02/494974902.db2.gz UFVFVONGLZTRAY-LLVKDONJSA-N 1 1 363.801 3.206 50 5 FGBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000006857645 493983268 /nfs/dbraw/zinc/98/32/68/493983268.db2.gz PXRUSSQOZFNDPD-NFBGWVBBSA-N 1 1 370.434 3.414 50 5 FGBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000006857645 493983270 /nfs/dbraw/zinc/98/32/70/493983270.db2.gz PXRUSSQOZFNDPD-NFBGWVBBSA-N 1 1 370.434 3.414 50 5 FGBAMO O=[N+]([O-])c1c(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc2sccn21 ZINC000009157086 494115727 /nfs/dbraw/zinc/11/57/27/494115727.db2.gz LJUIKDZRLFNSDZ-QPJJXVBHSA-N 1 1 369.450 3.139 50 5 FGBAMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000010229047 494146841 /nfs/dbraw/zinc/14/68/41/494146841.db2.gz QZMPCOSFRJPUMC-IBGZPJMESA-N 1 1 369.421 3.403 50 5 FGBAMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000010229047 494146844 /nfs/dbraw/zinc/14/68/44/494146844.db2.gz QZMPCOSFRJPUMC-IBGZPJMESA-N 1 1 369.421 3.403 50 5 FGBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000006857601 493983191 /nfs/dbraw/zinc/98/31/91/493983191.db2.gz PXRUSSQOZFNDPD-SZTZYQKNSA-N 1 1 370.434 3.414 50 5 FGBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000006857601 493983196 /nfs/dbraw/zinc/98/31/96/493983196.db2.gz PXRUSSQOZFNDPD-SZTZYQKNSA-N 1 1 370.434 3.414 50 5 FGBAMO C[N@@H+](CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000040043402 494127635 /nfs/dbraw/zinc/12/76/35/494127635.db2.gz QMZBYWIDSWREIY-OUKQBFOZSA-N 1 1 353.422 3.246 50 5 FGBAMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000015509757 494357930 /nfs/dbraw/zinc/35/79/30/494357930.db2.gz YYOFAVYBNDZBLK-CHWSQXEVSA-N 1 1 373.409 3.290 50 5 FGBAMO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000012785136 220028954 /nfs/dbraw/zinc/02/89/54/220028954.db2.gz VKDDHFNCUOXJQE-ZWKOTPCHSA-N 1 1 373.796 3.303 50 5 FGBAMO Cc1ccc([N+](=O)[O-])c(OCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000002880030 493824353 /nfs/dbraw/zinc/82/43/53/493824353.db2.gz VDEHCCRDIPENOS-UHFFFAOYSA-N 1 1 369.465 3.490 50 5 FGBAMO CC(=O)c1ccc(NCC2([NH+]3CCCCC3)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000078457560 494299240 /nfs/dbraw/zinc/29/92/40/494299240.db2.gz SFVKZPCHGUVUBX-UHFFFAOYSA-N 1 1 374.485 3.160 50 5 FGBAMO Cc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000025629818 494763962 /nfs/dbraw/zinc/76/39/62/494763962.db2.gz ZCYZOMRFWHAORR-OAHLLOKOSA-N 1 1 353.422 3.080 50 5 FGBAMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000015509759 220155220 /nfs/dbraw/zinc/15/52/20/220155220.db2.gz YYOFAVYBNDZBLK-QWHCGFSZSA-N 1 1 373.409 3.290 50 5 FGBAMO CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000032445817 493990404 /nfs/dbraw/zinc/99/04/04/493990404.db2.gz BPHRVRJRKZIMQA-SFHVURJKSA-N 1 1 353.422 3.162 50 5 FGBAMO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000025120352 220475348 /nfs/dbraw/zinc/47/53/48/220475348.db2.gz JWODUUFTJCEPGZ-UHFFFAOYSA-N 1 1 355.394 3.207 50 5 FGBAMO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000025120352 220475351 /nfs/dbraw/zinc/47/53/51/220475351.db2.gz JWODUUFTJCEPGZ-UHFFFAOYSA-N 1 1 355.394 3.207 50 5 FGBAMO Cc1nn(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(C)c1[N+](=O)[O-] ZINC000054466273 221052669 /nfs/dbraw/zinc/05/26/69/221052669.db2.gz SQOGSTYHFKLTFA-AWEZNQCLSA-N 1 1 355.398 3.386 50 5 FGBAMO Cc1nn(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(C)c1[N+](=O)[O-] ZINC000054466273 221052673 /nfs/dbraw/zinc/05/26/73/221052673.db2.gz SQOGSTYHFKLTFA-AWEZNQCLSA-N 1 1 355.398 3.386 50 5 FGBAMO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1Cc1ccccc1 ZINC000097165437 222165987 /nfs/dbraw/zinc/16/59/87/222165987.db2.gz KKSLMRBQJFQEHV-HXUWFJFHSA-N 1 1 353.422 3.379 50 5 FGBAMO Cc1cccc2c1NC1(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC1)NC2=O ZINC000034812203 494068814 /nfs/dbraw/zinc/06/88/14/494068814.db2.gz VVOGKMDTOOKVBJ-UHFFFAOYSA-N 1 1 366.421 3.051 50 5 FGBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1 ZINC000006857607 493983301 /nfs/dbraw/zinc/98/33/01/493983301.db2.gz ITPYIYQYRMPSCP-LFAOLKIESA-N 1 1 370.434 3.414 50 5 FGBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1 ZINC000006857607 493983304 /nfs/dbraw/zinc/98/33/04/493983304.db2.gz ITPYIYQYRMPSCP-LFAOLKIESA-N 1 1 370.434 3.414 50 5 FGBAMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2sccc2C)c([N+](=O)[O-])c1 ZINC000032797293 494017731 /nfs/dbraw/zinc/01/77/31/494017731.db2.gz URLRVFHYBBAHKP-GFCCVEGCSA-N 1 1 363.439 3.432 50 5 FGBAMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2sccc2C)c([N+](=O)[O-])c1 ZINC000032797293 494017734 /nfs/dbraw/zinc/01/77/34/494017734.db2.gz URLRVFHYBBAHKP-GFCCVEGCSA-N 1 1 363.439 3.432 50 5 FGBAMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)s1 ZINC000328592199 223114499 /nfs/dbraw/zinc/11/44/99/223114499.db2.gz MFKWGWHTVKSDQT-HNNXBMFYSA-N 1 1 373.478 3.230 50 5 FGBAMO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000055030586 221057644 /nfs/dbraw/zinc/05/76/44/221057644.db2.gz SRPQMWZXEOWSAB-UHFFFAOYSA-N 1 1 354.410 3.381 50 5 FGBAMO O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000055027662 221057607 /nfs/dbraw/zinc/05/76/07/221057607.db2.gz QZVJOEBJDUFJJY-UHFFFAOYSA-N 1 1 360.458 3.191 50 5 FGBAMO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000052534154 136124361 /nfs/dbraw/zinc/12/43/61/136124361.db2.gz VJYJMDFQQRELEE-UHFFFAOYSA-N 1 1 369.421 3.012 50 5 FGBAMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006849132 493983448 /nfs/dbraw/zinc/98/34/48/493983448.db2.gz PMXPUWYGMVEWND-UHFFFAOYSA-N 1 1 363.801 3.198 50 5 FGBAMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006849132 493983452 /nfs/dbraw/zinc/98/34/52/493983452.db2.gz PMXPUWYGMVEWND-UHFFFAOYSA-N 1 1 363.801 3.198 50 5 FGBAMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000032848472 494022115 /nfs/dbraw/zinc/02/21/15/494022115.db2.gz RXFTUKCGNZNPKN-VAWYXSNFSA-N 1 1 365.433 3.343 50 5 FGBAMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000005275492 493923145 /nfs/dbraw/zinc/92/31/45/493923145.db2.gz XFFHLKFEYXGVGD-ACJLOTCBSA-N 1 1 372.421 3.265 50 5 FGBAMO CN(C(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000025441750 494740127 /nfs/dbraw/zinc/74/01/27/494740127.db2.gz UZJHMNNGERKCNX-LJQANCHMSA-N 1 1 353.422 3.265 50 5 FGBAMO CC[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000029909614 493866190 /nfs/dbraw/zinc/86/61/90/493866190.db2.gz YVZJPSAXROZUOX-IBGZPJMESA-N 1 1 367.449 3.090 50 5 FGBAMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@@H]1C[NH+]2CCC1CC2 ZINC000004688311 493887856 /nfs/dbraw/zinc/88/78/56/493887856.db2.gz OLXWBBKSCMYOAT-SNVBAGLBSA-N 1 1 360.292 3.028 50 5 FGBAMO CC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)[N@H+]1CCc2ccccc2C1 ZINC000032445940 493989981 /nfs/dbraw/zinc/98/99/81/493989981.db2.gz NBXAEFPQZBHLET-GOSISDBHSA-N 1 1 367.449 3.470 50 5 FGBAMO CC(C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000012561413 494242513 /nfs/dbraw/zinc/24/25/13/494242513.db2.gz IYYGHYKYAYYIFR-MRXNPFEDSA-N 1 1 374.407 3.298 50 5 FGBAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000755563 695535789 /nfs/dbraw/zinc/53/57/89/695535789.db2.gz ACBHUKLQYWDWKE-AWEZNQCLSA-N 1 1 353.850 3.329 50 5 FGBAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000755563 695535790 /nfs/dbraw/zinc/53/57/90/695535790.db2.gz ACBHUKLQYWDWKE-AWEZNQCLSA-N 1 1 353.850 3.329 50 5 FGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000007421248 204297634 /nfs/dbraw/zinc/29/76/34/204297634.db2.gz OTQYPUGGLLLABP-AWEZNQCLSA-N 1 1 357.410 3.371 50 5 FGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000007421248 204297636 /nfs/dbraw/zinc/29/76/36/204297636.db2.gz OTQYPUGGLLLABP-AWEZNQCLSA-N 1 1 357.410 3.371 50 5 FGBAMO Cc1nn(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(C)c1[N+](=O)[O-] ZINC000054466276 206335564 /nfs/dbraw/zinc/33/55/64/206335564.db2.gz SQOGSTYHFKLTFA-CQSZACIVSA-N 1 1 355.398 3.386 50 5 FGBAMO Cc1nn(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(C)c1[N+](=O)[O-] ZINC000054466276 206335568 /nfs/dbraw/zinc/33/55/68/206335568.db2.gz SQOGSTYHFKLTFA-CQSZACIVSA-N 1 1 355.398 3.386 50 5 FGBAMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095995138 494993966 /nfs/dbraw/zinc/99/39/66/494993966.db2.gz IOZZOXUFQQJALR-MAUKXSAKSA-N 1 1 353.422 3.235 50 5 FGBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1 ZINC000006857653 204277426 /nfs/dbraw/zinc/27/74/26/204277426.db2.gz ITPYIYQYRMPSCP-LQYUOIDQSA-N 1 1 370.434 3.414 50 5 FGBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1 ZINC000006857653 204277428 /nfs/dbraw/zinc/27/74/28/204277428.db2.gz ITPYIYQYRMPSCP-LQYUOIDQSA-N 1 1 370.434 3.414 50 5 FGBAMO O=C(c1ccccc1)c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000048333505 205159831 /nfs/dbraw/zinc/15/98/31/205159831.db2.gz FUFXOIFVOZMGNB-MRXNPFEDSA-N 1 1 351.406 3.474 50 5 FGBAMO O=C(c1ccccc1)c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000048333505 205159834 /nfs/dbraw/zinc/15/98/34/205159834.db2.gz FUFXOIFVOZMGNB-MRXNPFEDSA-N 1 1 351.406 3.474 50 5 FGBAMO CC[NH+]1CCN(c2cc(N3CCCCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004168679 493868168 /nfs/dbraw/zinc/86/81/68/493868168.db2.gz QSUKZBUCLHGIHZ-UHFFFAOYSA-N 1 1 350.438 3.256 50 5 FGBAMO C[NH+]1CCN(c2cc(N3CCc4ccccc4C3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004168595 493868575 /nfs/dbraw/zinc/86/85/75/493868575.db2.gz HIRFJJHUBGHUDC-UHFFFAOYSA-N 1 1 370.428 3.048 50 5 FGBAMO Cc1cccc(N2CC[NH+](CCNc3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000031577189 493949575 /nfs/dbraw/zinc/94/95/75/493949575.db2.gz XHMSCKHHQOTCGZ-UHFFFAOYSA-N 1 1 358.417 3.276 50 5 FGBAMO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000032445861 493990167 /nfs/dbraw/zinc/99/01/67/493990167.db2.gz IZFJBMXJYVMCKD-SFHVURJKSA-N 1 1 353.422 3.162 50 5 FGBAMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2sccc2C)c([N+](=O)[O-])c1 ZINC000032797294 494017718 /nfs/dbraw/zinc/01/77/18/494017718.db2.gz URLRVFHYBBAHKP-LBPRGKRZSA-N 1 1 363.439 3.432 50 5 FGBAMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2sccc2C)c([N+](=O)[O-])c1 ZINC000032797294 494017724 /nfs/dbraw/zinc/01/77/24/494017724.db2.gz URLRVFHYBBAHKP-LBPRGKRZSA-N 1 1 363.439 3.432 50 5 FGBAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000019877542 494462828 /nfs/dbraw/zinc/46/28/28/494462828.db2.gz VJBMQYUIVTVQOK-INIZCTEOSA-N 1 1 353.422 3.043 50 5 FGBAMO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000032445862 493989975 /nfs/dbraw/zinc/98/99/75/493989975.db2.gz IZFJBMXJYVMCKD-GOSISDBHSA-N 1 1 353.422 3.162 50 5 FGBAMO CC(C)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000027110326 494852960 /nfs/dbraw/zinc/85/29/60/494852960.db2.gz XMZUJLQBGQJRCH-UHFFFAOYSA-N 1 1 370.247 3.416 50 5 FGBAMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000010229043 204392531 /nfs/dbraw/zinc/39/25/31/204392531.db2.gz QZMPCOSFRJPUMC-LJQANCHMSA-N 1 1 369.421 3.403 50 5 FGBAMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000010229043 204392535 /nfs/dbraw/zinc/39/25/35/204392535.db2.gz QZMPCOSFRJPUMC-LJQANCHMSA-N 1 1 369.421 3.403 50 5 FGBAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000055543209 205220768 /nfs/dbraw/zinc/22/07/68/205220768.db2.gz QKJCRISMEXUAQW-ZDUSSCGKSA-N 1 1 353.850 3.329 50 5 FGBAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000055543209 205220770 /nfs/dbraw/zinc/22/07/70/205220770.db2.gz QKJCRISMEXUAQW-ZDUSSCGKSA-N 1 1 353.850 3.329 50 5 FGBAMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)C[C@H](C)O1 ZINC000030001617 493872825 /nfs/dbraw/zinc/87/28/25/493872825.db2.gz XXKIGIDULQUANZ-GASCZTMLSA-N 1 1 356.426 3.211 50 5 FGBAMO Cc1cc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000032398863 493984497 /nfs/dbraw/zinc/98/44/97/493984497.db2.gz FTTZIUXNEPFNBY-UHFFFAOYSA-N 1 1 353.422 3.081 50 5 FGBAMO Cc1nc2n(c1C[NH+]1CCN(c3ccc([N+](=O)[O-])c(C)c3)CC1)CCCC2 ZINC000095467517 132211487 /nfs/dbraw/zinc/21/14/87/132211487.db2.gz DQFCKXHVYGACHR-UHFFFAOYSA-N 1 1 369.469 3.067 50 5 FGBAMO COC(=O)[C@@H](C)C[N@@H+](Cc1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000096003606 494995394 /nfs/dbraw/zinc/99/53/94/494995394.db2.gz PCGQAVHGWWBIRW-JTQLQIEISA-N 1 1 371.231 3.131 50 5 FGBAMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000003184594 204080700 /nfs/dbraw/zinc/08/07/00/204080700.db2.gz RYRVHOYZLMHDEN-QGZVFWFLSA-N 1 1 374.360 3.301 50 5 FGBAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000024960839 206413031 /nfs/dbraw/zinc/41/30/31/206413031.db2.gz CXOVEULDMFTKFL-HUUCEWRRSA-N 1 1 369.421 3.456 50 5 FGBAMO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000012785132 494259078 /nfs/dbraw/zinc/25/90/78/494259078.db2.gz VKDDHFNCUOXJQE-QZTJIDSGSA-N 1 1 373.796 3.303 50 5 FGBAMO CCOc1ccccc1N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000036393244 494091712 /nfs/dbraw/zinc/09/17/12/494091712.db2.gz GCHJOOHUDUKWOB-UHFFFAOYSA-N 1 1 371.437 3.195 50 5 FGBAMO CSCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000078302934 571141163 /nfs/dbraw/zinc/14/11/63/571141163.db2.gz JLLMBKRQCLNCTA-OAHLLOKOSA-N 1 1 357.439 3.222 50 5 FGBAMO Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000020363033 494470821 /nfs/dbraw/zinc/47/08/21/494470821.db2.gz UYHRNRKCUITLFJ-UHFFFAOYSA-N 1 1 354.410 3.253 50 5 FGBAMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000020363172 494471249 /nfs/dbraw/zinc/47/12/49/494471249.db2.gz RSKYODHOLOQGNL-UHFFFAOYSA-N 1 1 354.410 3.253 50 5 FGBAMO Cc1cc(NC(=O)CNC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000025389011 494730958 /nfs/dbraw/zinc/73/09/58/494730958.db2.gz YRDQIRLBYVWYBD-IBGZPJMESA-N 1 1 370.453 3.043 50 5 FGBAMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000095369378 494967041 /nfs/dbraw/zinc/96/70/41/494967041.db2.gz HOKSLWFWSCAEFI-AWEZNQCLSA-N 1 1 374.828 3.494 50 5 FGBAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000004555598 207028275 /nfs/dbraw/zinc/02/82/75/207028275.db2.gz HFUNUAJRXGKGDD-OAHLLOKOSA-N 1 1 358.423 3.463 50 5 FGBAMO Cc1c(NC(=O)CC[N@H+](C[C@@H](C)O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000058357685 493846340 /nfs/dbraw/zinc/84/63/40/493846340.db2.gz TWHZOBKNZGVAKM-CQSZACIVSA-N 1 1 363.458 3.247 50 5 FGBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004524506 493881355 /nfs/dbraw/zinc/88/13/55/493881355.db2.gz QYHGDUIFCYJAES-PKOBYXMFSA-N 1 1 351.406 3.351 50 5 FGBAMO Cc1cc(NC(=O)CNC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000025389018 494731649 /nfs/dbraw/zinc/73/16/49/494731649.db2.gz YRDQIRLBYVWYBD-LJQANCHMSA-N 1 1 370.453 3.043 50 5 FGBAMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000019877540 494462485 /nfs/dbraw/zinc/46/24/85/494462485.db2.gz VJBMQYUIVTVQOK-MRXNPFEDSA-N 1 1 353.422 3.043 50 5 FGBAMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000024960863 494685327 /nfs/dbraw/zinc/68/53/27/494685327.db2.gz CXOVEULDMFTKFL-GJZGRUSLSA-N 1 1 369.421 3.456 50 5 FGBAMO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C3)n1 ZINC000241124397 497352413 /nfs/dbraw/zinc/35/24/13/497352413.db2.gz JHYREGUZMADZTA-AUUYWEPGSA-N 1 1 372.425 3.361 50 5 FGBAMO CC(C)c1noc([C@@]23CCC[C@@H]2CN(Cc2cc([O-])ccc2[N+](=O)[O-])C3)n1 ZINC000241124397 497352417 /nfs/dbraw/zinc/35/24/17/497352417.db2.gz JHYREGUZMADZTA-AUUYWEPGSA-N 1 1 372.425 3.361 50 5 FGBAMO C[N@H+]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000032803845 208044795 /nfs/dbraw/zinc/04/47/95/208044795.db2.gz DBCJRUQIVDEYHY-UHFFFAOYSA-N 1 1 365.231 3.047 50 5 FGBAMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000032927258 208057962 /nfs/dbraw/zinc/05/79/62/208057962.db2.gz IWKRCNDMRZXWEB-ZDUSSCGKSA-N 1 1 357.410 3.285 50 5 FGBAMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000032927258 208057967 /nfs/dbraw/zinc/05/79/67/208057967.db2.gz IWKRCNDMRZXWEB-ZDUSSCGKSA-N 1 1 357.410 3.285 50 5 FGBAMO CC[N@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000012557688 494242308 /nfs/dbraw/zinc/24/23/08/494242308.db2.gz HYDMGRXIMDAYST-SNVBAGLBSA-N 1 1 362.308 3.418 50 5 FGBAMO CCOc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1OC ZINC000055543588 136126907 /nfs/dbraw/zinc/12/69/07/136126907.db2.gz GAXNTMGYFVCRBK-UHFFFAOYSA-N 1 1 371.437 3.324 50 5 FGBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOc1ccccc1F ZINC000008852628 494106372 /nfs/dbraw/zinc/10/63/72/494106372.db2.gz PBCCOPLGFLVFTL-CYBMUJFWSA-N 1 1 361.373 3.072 50 5 FGBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOc1ccccc1F ZINC000008852628 494106377 /nfs/dbraw/zinc/10/63/77/494106377.db2.gz PBCCOPLGFLVFTL-CYBMUJFWSA-N 1 1 361.373 3.072 50 5 FGBAMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000015509590 494356735 /nfs/dbraw/zinc/35/67/35/494356735.db2.gz MHLWVXNRPMGIKZ-STQMWFEESA-N 1 1 373.409 3.290 50 5 FGBAMO CCOc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000040121343 208231336 /nfs/dbraw/zinc/23/13/36/208231336.db2.gz GTJSLUJJGPHFPV-GASCZTMLSA-N 1 1 363.458 3.091 50 5 FGBAMO COc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000058210364 493833942 /nfs/dbraw/zinc/83/39/42/493833942.db2.gz WSZDEEVSLJCIAV-IJEWVQPXSA-N 1 1 361.442 3.081 50 5 FGBAMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000015509594 494356795 /nfs/dbraw/zinc/35/67/95/494356795.db2.gz MHLWVXNRPMGIKZ-QWHCGFSZSA-N 1 1 373.409 3.290 50 5 FGBAMO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1Cl ZINC000027354100 494863601 /nfs/dbraw/zinc/86/36/01/494863601.db2.gz BHTLAUKUQWNNNC-GFCCVEGCSA-N 1 1 359.813 3.488 50 5 FGBAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000048324052 209331260 /nfs/dbraw/zinc/33/12/60/209331260.db2.gz OBQZJEYPDXCQTD-UHFFFAOYSA-N 1 1 354.341 3.158 50 5 FGBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000010974618 207308760 /nfs/dbraw/zinc/30/87/60/207308760.db2.gz YIJRIRSBHFPIOU-UHFFFAOYSA-N 1 1 357.385 3.082 50 5 FGBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000010974618 207308764 /nfs/dbraw/zinc/30/87/64/207308764.db2.gz YIJRIRSBHFPIOU-UHFFFAOYSA-N 1 1 357.385 3.082 50 5 FGBAMO COc1cccc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000004980368 493906058 /nfs/dbraw/zinc/90/60/58/493906058.db2.gz ILDLMJDSJJWLFS-FNORWQNLSA-N 1 1 353.422 3.439 50 5 FGBAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012780691 494258595 /nfs/dbraw/zinc/25/85/95/494258595.db2.gz ZBMWCRNTWUIZNB-LJQANCHMSA-N 1 1 369.421 3.403 50 5 FGBAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012780691 494258598 /nfs/dbraw/zinc/25/85/98/494258598.db2.gz ZBMWCRNTWUIZNB-LJQANCHMSA-N 1 1 369.421 3.403 50 5 FGBAMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000015509753 494358105 /nfs/dbraw/zinc/35/81/05/494358105.db2.gz YYOFAVYBNDZBLK-OLZOCXBDSA-N 1 1 373.409 3.290 50 5 FGBAMO COc1ccc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000106149920 209272451 /nfs/dbraw/zinc/27/24/51/209272451.db2.gz WSZDEEVSLJCIAV-LZWOXQAQSA-N 1 1 361.442 3.081 50 5 FGBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1 ZINC000006857605 207172577 /nfs/dbraw/zinc/17/25/77/207172577.db2.gz QOCHASNCRCUSRF-NFAHFFEMSA-N 1 1 370.434 3.414 50 5 FGBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1 ZINC000006857605 207172580 /nfs/dbraw/zinc/17/25/80/207172580.db2.gz QOCHASNCRCUSRF-NFAHFFEMSA-N 1 1 370.434 3.414 50 5 FGBAMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095995141 209093210 /nfs/dbraw/zinc/09/32/10/209093210.db2.gz IOZZOXUFQQJALR-QAPCUYQASA-N 1 1 353.422 3.235 50 5 FGBAMO Cc1cc(OCCC[NH+]2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000002881608 493824620 /nfs/dbraw/zinc/82/46/20/493824620.db2.gz ZOZZSEQNQKZZGQ-UHFFFAOYSA-N 1 1 369.465 3.490 50 5 FGBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1 ZINC000006857651 207172330 /nfs/dbraw/zinc/17/23/30/207172330.db2.gz QOCHASNCRCUSRF-LLYBFZRZSA-N 1 1 370.434 3.414 50 5 FGBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1 ZINC000006857651 207172336 /nfs/dbraw/zinc/17/23/36/207172336.db2.gz QOCHASNCRCUSRF-LLYBFZRZSA-N 1 1 370.434 3.414 50 5 FGBAMO C[N@H+](CCOc1ccccc1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016561170 494394347 /nfs/dbraw/zinc/39/43/47/494394347.db2.gz LHJOCJNJEBICND-UHFFFAOYSA-N 1 1 363.801 3.198 50 5 FGBAMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016561170 494394350 /nfs/dbraw/zinc/39/43/50/494394350.db2.gz LHJOCJNJEBICND-UHFFFAOYSA-N 1 1 363.801 3.198 50 5 FGBAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000004555597 493882799 /nfs/dbraw/zinc/88/27/99/493882799.db2.gz HFUNUAJRXGKGDD-HNNXBMFYSA-N 1 1 358.423 3.463 50 5 FGBAMO O=[N+]([O-])c1ccc(NC(=S)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000004749345 493891409 /nfs/dbraw/zinc/89/14/09/493891409.db2.gz FJAPPODYOJIPAG-UHFFFAOYSA-N 1 1 370.478 3.152 50 5 FGBAMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000048368493 570952940 /nfs/dbraw/zinc/95/29/40/570952940.db2.gz FFQDVTGTIORWQV-UHFFFAOYSA-N 1 1 374.485 3.365 50 5 FGBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017073298 211176801 /nfs/dbraw/zinc/17/68/01/211176801.db2.gz DQWQRWMZAFWJOX-UHFFFAOYSA-N 1 1 354.410 3.253 50 5 FGBAMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000052715260 221038680 /nfs/dbraw/zinc/03/86/80/221038680.db2.gz DCKVMESPPLJNGH-IBGZPJMESA-N 1 1 369.421 3.249 50 5 FGBAMO Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)nc2c3ccccc3oc(=O)c12 ZINC000006472068 493965101 /nfs/dbraw/zinc/96/51/01/493965101.db2.gz MARHTLVJGKCLPL-AWEZNQCLSA-N 1 1 365.433 3.463 50 5 FGBAMO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)nc2c3ccccc3oc(=O)c12 ZINC000006472068 493965104 /nfs/dbraw/zinc/96/51/04/493965104.db2.gz MARHTLVJGKCLPL-AWEZNQCLSA-N 1 1 365.433 3.463 50 5 FGBAMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000015509588 494356965 /nfs/dbraw/zinc/35/69/65/494356965.db2.gz MHLWVXNRPMGIKZ-OLZOCXBDSA-N 1 1 373.409 3.290 50 5 FGBAMO CN(C(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000012889137 211003184 /nfs/dbraw/zinc/00/31/84/211003184.db2.gz BWKVLSCPGWBSME-UHFFFAOYSA-N 1 1 357.385 3.361 50 5 FGBAMO CN(C(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000012889137 211003188 /nfs/dbraw/zinc/00/31/88/211003188.db2.gz BWKVLSCPGWBSME-UHFFFAOYSA-N 1 1 357.385 3.361 50 5 FGBAMO Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000069778987 221328132 /nfs/dbraw/zinc/32/81/32/221328132.db2.gz MJUVCGKRHOQWIJ-AWEZNQCLSA-N 1 1 353.426 3.256 50 5 FGBAMO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1Cc1ccccc1 ZINC000097165438 222166320 /nfs/dbraw/zinc/16/63/20/222166320.db2.gz KKSLMRBQJFQEHV-FQEVSTJZSA-N 1 1 353.422 3.379 50 5 FGBAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004555599 493882640 /nfs/dbraw/zinc/88/26/40/493882640.db2.gz PZMOPVDNTADDLN-HNNXBMFYSA-N 1 1 358.423 3.463 50 5 FGBAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000030658543 493902995 /nfs/dbraw/zinc/90/29/95/493902995.db2.gz VIRAADGNGDHEGV-UHFFFAOYSA-N 1 1 364.405 3.386 50 5 FGBAMO C[N@H+](CCOc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006637705 493972226 /nfs/dbraw/zinc/97/22/26/493972226.db2.gz WEVWZSBUDWIYDU-UHFFFAOYSA-N 1 1 363.801 3.198 50 5 FGBAMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006637705 493972229 /nfs/dbraw/zinc/97/22/29/493972229.db2.gz WEVWZSBUDWIYDU-UHFFFAOYSA-N 1 1 363.801 3.198 50 5 FGBAMO COC(=O)[C@H](C)C[N@@H+](Cc1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000096003607 494995703 /nfs/dbraw/zinc/99/57/03/494995703.db2.gz PCGQAVHGWWBIRW-SNVBAGLBSA-N 1 1 371.231 3.131 50 5 FGBAMO CC[N@@H+]1CCc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000022698987 211361067 /nfs/dbraw/zinc/36/10/67/211361067.db2.gz LNJZHAHDVNEGJL-VOTSOKGWSA-N 1 1 358.423 3.081 50 5 FGBAMO CC[N@H+]1CCc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000022698987 211361069 /nfs/dbraw/zinc/36/10/69/211361069.db2.gz LNJZHAHDVNEGJL-VOTSOKGWSA-N 1 1 358.423 3.081 50 5 FGBAMO C[N@H+](CCOc1ccccc1)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003534287 493851378 /nfs/dbraw/zinc/85/13/78/493851378.db2.gz HKSXFXSXWZQLQM-UHFFFAOYSA-N 1 1 363.801 3.198 50 5 FGBAMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003534287 493851380 /nfs/dbraw/zinc/85/13/80/493851380.db2.gz HKSXFXSXWZQLQM-UHFFFAOYSA-N 1 1 363.801 3.198 50 5 FGBAMO Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029837744 493860613 /nfs/dbraw/zinc/86/06/13/493860613.db2.gz DCBXYDDXGAHORF-UHFFFAOYSA-N 1 1 353.422 3.081 50 5 FGBAMO CC[NH+]1CCN(c2cc(N3CCCCCC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004168653 493868214 /nfs/dbraw/zinc/86/82/14/493868214.db2.gz JGVLXCIFUSRHLH-UHFFFAOYSA-N 1 1 350.438 3.256 50 5 FGBAMO O=C(C[NH+]1CCCCCC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000005064575 493911627 /nfs/dbraw/zinc/91/16/27/493911627.db2.gz RHTUQQMQAVBSGS-UHFFFAOYSA-N 1 1 356.220 3.172 50 5 FGBAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000006205609 493955438 /nfs/dbraw/zinc/95/54/38/493955438.db2.gz DWTZEZQDUGIOQU-OAHLLOKOSA-N 1 1 358.423 3.463 50 5 FGBAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000012776491 494257779 /nfs/dbraw/zinc/25/77/79/494257779.db2.gz QFUKBHFPDYXATQ-GOSISDBHSA-N 1 1 369.421 3.430 50 5 FGBAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012780687 494259037 /nfs/dbraw/zinc/25/90/37/494259037.db2.gz ZBMWCRNTWUIZNB-IBGZPJMESA-N 1 1 369.421 3.403 50 5 FGBAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012780687 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220107917 /nfs/dbraw/zinc/10/79/17/220107917.db2.gz SEKAUMHXIDZEPL-HNNXBMFYSA-N 1 1 357.410 3.241 50 5 FGBAMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000014112915 220107922 /nfs/dbraw/zinc/10/79/22/220107922.db2.gz SEKAUMHXIDZEPL-HNNXBMFYSA-N 1 1 357.410 3.241 50 5 FGBAMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000002735200 493817167 /nfs/dbraw/zinc/81/71/67/493817167.db2.gz ULMSFEKPZQIGBE-IBGZPJMESA-N 1 1 367.449 3.465 50 5 FGBAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000030658347 493902860 /nfs/dbraw/zinc/90/28/60/493902860.db2.gz HILGJNRXYDBFET-UHFFFAOYSA-N 1 1 350.378 3.078 50 5 FGBAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000040118836 494133606 /nfs/dbraw/zinc/13/36/06/494133606.db2.gz ZCUOMGIPGMAYAV-GASCZTMLSA-N 1 1 374.485 3.267 50 5 FGBAMO CC(C)[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000012561415 494242533 /nfs/dbraw/zinc/24/25/33/494242533.db2.gz 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