smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176460885 823212448 /nfs/dbraw/zinc/21/24/48/823212448.db2.gz UVBVDJPCOXVBTD-UHFFFAOYSA-N 1 2 390.443 4.366 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCCCc2ccccc21 ZINC000460489804 823406089 /nfs/dbraw/zinc/40/60/89/823406089.db2.gz PCMZUDXVHCZKJR-UHFFFAOYSA-N 1 2 376.416 4.154 20 5 GIBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000410308126 823458766 /nfs/dbraw/zinc/45/87/66/823458766.db2.gz KPYLZXQEYLGQOC-UHFFFAOYSA-N 1 2 394.431 4.046 20 5 GIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000181242900 821715663 /nfs/dbraw/zinc/71/56/63/821715663.db2.gz XAVAFYJESGUWIC-UHFFFAOYSA-N 1 2 388.493 4.112 20 5 GIBDLO CC(C)[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1F ZINC000181635835 821915672 /nfs/dbraw/zinc/91/56/72/821915672.db2.gz MRBVDZMXBQOGRU-GOSISDBHSA-N 1 2 388.374 4.410 20 5 GIBDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182625130 822327524 /nfs/dbraw/zinc/32/75/24/822327524.db2.gz YAPVLBJUOZDDLO-ZDUSSCGKSA-N 1 2 377.391 4.203 20 5 GIBDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182625130 822327534 /nfs/dbraw/zinc/32/75/34/822327534.db2.gz YAPVLBJUOZDDLO-ZDUSSCGKSA-N 1 2 377.391 4.203 20 5 GIBDLO CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000178295086 822364210 /nfs/dbraw/zinc/36/42/10/822364210.db2.gz IEICBUABFCHYEI-UHFFFAOYSA-N 1 2 394.460 4.122 20 5 GIBDLO COc1cc(F)c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc1OC ZINC000183476947 822481642 /nfs/dbraw/zinc/48/16/42/822481642.db2.gz UBBCUKJYDCKYKO-ZDUSSCGKSA-N 1 2 392.427 4.389 20 5 GIBDLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000179745817 822541593 /nfs/dbraw/zinc/54/15/93/822541593.db2.gz IIXPCNQEFYZENJ-KRWDZBQOSA-N 1 2 382.420 4.284 20 5 GIBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184882007 822706388 /nfs/dbraw/zinc/70/63/88/822706388.db2.gz CPLTVDZMVAGTOC-HUUCEWRRSA-N 1 2 394.431 4.236 20 5 GIBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050561738 822733651 /nfs/dbraw/zinc/73/36/51/822733651.db2.gz LCUUFDWNYJEYMQ-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO C[N@@H+](Cc1csc2ccccc12)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052806286 822811534 /nfs/dbraw/zinc/81/15/34/822811534.db2.gz DOXLLVJBFPJGBO-UHFFFAOYSA-N 1 2 380.429 4.492 20 5 GIBDLO C[N@H+](Cc1csc2ccccc12)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052806286 822811537 /nfs/dbraw/zinc/81/15/37/822811537.db2.gz DOXLLVJBFPJGBO-UHFFFAOYSA-N 1 2 380.429 4.492 20 5 GIBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458018751 822950864 /nfs/dbraw/zinc/95/08/64/822950864.db2.gz CZCAXOMEMDTQHT-RTBURBONSA-N 1 2 390.443 4.189 20 5 GIBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458081517 822956347 /nfs/dbraw/zinc/95/63/47/822956347.db2.gz HPCXBBNXZHQQSP-MOPGFXCFSA-N 1 2 390.443 4.189 20 5 GIBDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])n2)cc1F ZINC000570463003 823041212 /nfs/dbraw/zinc/04/12/12/823041212.db2.gz OCOWQDZMAMSMRH-YVEFUNNKSA-N 1 2 382.395 4.430 20 5 GIBDLO Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055779755 823043391 /nfs/dbraw/zinc/04/33/91/823043391.db2.gz OGBAWDNJHFWWEC-SFHVURJKSA-N 1 2 376.416 4.066 20 5 GIBDLO CC(C)CCOc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000064752229 823880576 /nfs/dbraw/zinc/88/05/76/823880576.db2.gz KUQAEIMRHCYRAA-UHFFFAOYSA-N 1 2 394.431 4.458 20 5 GIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000126499827 823884773 /nfs/dbraw/zinc/88/47/73/823884773.db2.gz OKHFVACCTKUCSG-UHFFFAOYSA-N 1 2 376.294 4.052 20 5 GIBDLO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000192354285 823956634 /nfs/dbraw/zinc/95/66/34/823956634.db2.gz FMDNSKGTOWYNMT-SJKOYZFVSA-N 1 2 380.404 4.079 20 5 GIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC000176310068 823178810 /nfs/dbraw/zinc/17/88/10/823178810.db2.gz VGCQPDZKVCWRSW-LLVKDONJSA-N 1 2 394.884 4.189 20 5 GIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC000176310068 823178813 /nfs/dbraw/zinc/17/88/13/823178813.db2.gz VGCQPDZKVCWRSW-LLVKDONJSA-N 1 2 394.884 4.189 20 5 GIBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000459699022 823252844 /nfs/dbraw/zinc/25/28/44/823252844.db2.gz IZELRZYNSFAAPT-UHFFFAOYSA-N 1 2 394.479 4.068 20 5 GIBDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000007362071 817824486 /nfs/dbraw/zinc/82/44/86/817824486.db2.gz NQJLNLVQGYSUAM-UHFFFAOYSA-N 1 2 381.354 4.074 20 5 GIBDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000007362071 817824496 /nfs/dbraw/zinc/82/44/96/817824496.db2.gz NQJLNLVQGYSUAM-UHFFFAOYSA-N 1 2 381.354 4.074 20 5 GIBDLO O=C(Nc1ccc(SC(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000016018801 818385561 /nfs/dbraw/zinc/38/55/61/818385561.db2.gz PTWBPCIUFMPSPV-UHFFFAOYSA-N 1 2 390.371 4.348 20 5 GIBDLO Cc1cc(F)cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1[N+](=O)[O-] ZINC000176960848 823335346 /nfs/dbraw/zinc/33/53/46/823335346.db2.gz CHSCVOMRWQALAI-UHFFFAOYSA-N 1 2 394.406 4.494 20 5 GIBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000022290441 818790980 /nfs/dbraw/zinc/79/09/80/818790980.db2.gz GDOCTRLHLVUSSQ-UHFFFAOYSA-N 1 2 392.506 4.011 20 5 GIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000025423714 819978342 /nfs/dbraw/zinc/97/83/42/819978342.db2.gz PBSCAAVLEKTKNN-IAQYHMDHSA-N 1 2 379.869 4.474 20 5 GIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000025423714 819978347 /nfs/dbraw/zinc/97/83/47/819978347.db2.gz PBSCAAVLEKTKNN-IAQYHMDHSA-N 1 2 379.869 4.474 20 5 GIBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029525914 820468655 /nfs/dbraw/zinc/46/86/55/820468655.db2.gz QOXBDKLIXODXMH-SFHVURJKSA-N 1 2 395.381 4.099 20 5 GIBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000042510565 821309604 /nfs/dbraw/zinc/30/96/04/821309604.db2.gz MMDZNRKPRAAWRN-MGPUTAFESA-N 1 2 379.416 4.202 20 5 GIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000181583337 821889299 /nfs/dbraw/zinc/88/92/99/821889299.db2.gz VIIGVBIXJMXPRH-PBHICJAKSA-N 1 2 388.493 4.015 20 5 GIBDLO COc1cc(C[NH2+][C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1OC(F)F ZINC000181997847 822058052 /nfs/dbraw/zinc/05/80/52/822058052.db2.gz LLVTZSVXJZAGOD-VIFPVBQESA-N 1 2 388.317 4.334 20 5 GIBDLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000182538252 822290532 /nfs/dbraw/zinc/29/05/32/822290532.db2.gz SVXGSDXVHYSZIM-STQMWFEESA-N 1 2 395.419 4.015 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000045196219 822369628 /nfs/dbraw/zinc/36/96/28/822369628.db2.gz RJUFLCDFLSUPOW-UHFFFAOYSA-N 1 2 396.834 4.239 20 5 GIBDLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000179748442 822542036 /nfs/dbraw/zinc/54/20/36/822542036.db2.gz XMULDEAXAIXBLA-KRWDZBQOSA-N 1 2 382.420 4.284 20 5 GIBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cccc1[N+](=O)[O-] ZINC000184486477 822644105 /nfs/dbraw/zinc/64/41/05/822644105.db2.gz RNILGSGITHBDFL-STQMWFEESA-N 1 2 390.509 4.335 20 5 GIBDLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000185616064 822802652 /nfs/dbraw/zinc/80/26/52/822802652.db2.gz MXYMNNCZLRTFJO-OAHLLOKOSA-N 1 2 398.488 4.190 20 5 GIBDLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000185616110 822802672 /nfs/dbraw/zinc/80/26/72/822802672.db2.gz UOAKSXQZOQZMOV-OAHLLOKOSA-N 1 2 398.488 4.190 20 5 GIBDLO COc1cc(C[N@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F ZINC000054172898 822865613 /nfs/dbraw/zinc/86/56/13/822865613.db2.gz DDYKEJXBZUQZAR-UHFFFAOYSA-N 1 2 384.404 4.431 20 5 GIBDLO COc1cc(C[N@@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F ZINC000054172898 822865615 /nfs/dbraw/zinc/86/56/15/822865615.db2.gz DDYKEJXBZUQZAR-UHFFFAOYSA-N 1 2 384.404 4.431 20 5 GIBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458018748 822950890 /nfs/dbraw/zinc/95/08/90/822950890.db2.gz CZCAXOMEMDTQHT-RBUKOAKNSA-N 1 2 390.443 4.189 20 5 GIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc3sc4c(c3c(N)n2)CCCC4)cc1[N+](=O)[O-] ZINC000411472730 823578845 /nfs/dbraw/zinc/57/88/45/823578845.db2.gz IAVAYCZRWJQMEK-GFCCVEGCSA-N 1 2 397.504 4.220 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1CC1CCCCC1 ZINC000061569922 823604479 /nfs/dbraw/zinc/60/44/79/823604479.db2.gz DUHQATNJDKLGFC-SFHVURJKSA-N 1 2 382.464 4.356 20 5 GIBDLO CCOc1ccc(-c2noc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 ZINC000064350008 823798325 /nfs/dbraw/zinc/79/83/25/823798325.db2.gz GDASFAOPNXFKRP-UHFFFAOYSA-N 1 2 396.447 4.454 20 5 GIBDLO CCOc1ccc(-c2noc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 ZINC000064350008 823798333 /nfs/dbraw/zinc/79/83/33/823798333.db2.gz GDASFAOPNXFKRP-UHFFFAOYSA-N 1 2 396.447 4.454 20 5 GIBDLO CCCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000055989719 823075521 /nfs/dbraw/zinc/07/55/21/823075521.db2.gz DZVPYLTXOUOBGJ-UHFFFAOYSA-N 1 2 380.404 4.130 20 5 GIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572082909 823280252 /nfs/dbraw/zinc/28/02/52/823280252.db2.gz BBHBNKCVOFMXHC-MRXNPFEDSA-N 1 2 397.479 4.102 20 5 GIBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)s1 ZINC000122485095 823361372 /nfs/dbraw/zinc/36/13/72/823361372.db2.gz QBGNRNHEXYUJLL-UHFFFAOYSA-N 1 2 393.896 4.013 20 5 GIBDLO O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032160721 820899842 /nfs/dbraw/zinc/89/98/42/820899842.db2.gz CLIVKEBTUQEVFH-UHFFFAOYSA-N 1 2 392.415 4.354 20 5 GIBDLO C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000043647475 821435999 /nfs/dbraw/zinc/43/59/99/821435999.db2.gz RAIYPYUVHJFSOM-UHFFFAOYSA-N 1 2 382.338 4.112 20 5 GIBDLO C[N@H+](Cc1ccccc1C(F)(F)F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000043647475 821436002 /nfs/dbraw/zinc/43/60/02/821436002.db2.gz RAIYPYUVHJFSOM-UHFFFAOYSA-N 1 2 382.338 4.112 20 5 GIBDLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000182627696 822328628 /nfs/dbraw/zinc/32/86/28/822328628.db2.gz VSAVGJRCVPVAGY-AWEZNQCLSA-N 1 2 382.420 4.283 20 5 GIBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000045507434 822391698 /nfs/dbraw/zinc/39/16/98/822391698.db2.gz UZJCVZOEDYRBQD-HNNXBMFYSA-N 1 2 394.431 4.012 20 5 GIBDLO CC(=O)N1CCC[N@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000179811536 822557939 /nfs/dbraw/zinc/55/79/39/822557939.db2.gz LDEMEDMMJMTORY-UHFFFAOYSA-N 1 2 399.516 4.109 20 5 GIBDLO CC(=O)N1CCC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000179811536 822557940 /nfs/dbraw/zinc/55/79/40/822557940.db2.gz LDEMEDMMJMTORY-UHFFFAOYSA-N 1 2 399.516 4.109 20 5 GIBDLO C[C@@H]([NH2+]Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)c1cccc([N+](=O)[O-])c1 ZINC000180412215 822677518 /nfs/dbraw/zinc/67/75/18/822677518.db2.gz LAJOBPHDHQPVRX-NWDGAFQWSA-N 1 2 397.504 4.157 20 5 GIBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184881988 822706365 /nfs/dbraw/zinc/70/63/65/822706365.db2.gz CPLTVDZMVAGTOC-GJZGRUSLSA-N 1 2 394.431 4.236 20 5 GIBDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000185616046 822802707 /nfs/dbraw/zinc/80/27/07/822802707.db2.gz MXYMNNCZLRTFJO-HNNXBMFYSA-N 1 2 398.488 4.190 20 5 GIBDLO Cc1cc(C)c(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000456858942 822838699 /nfs/dbraw/zinc/83/86/99/822838699.db2.gz MLEDIECFPHFSHO-UHFFFAOYSA-N 1 2 399.394 4.034 20 5 GIBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000175242376 822912237 /nfs/dbraw/zinc/91/22/37/822912237.db2.gz LUPPGEHPRYKSEU-UHFFFAOYSA-N 1 2 386.292 4.310 20 5 GIBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000175242376 822912239 /nfs/dbraw/zinc/91/22/39/822912239.db2.gz LUPPGEHPRYKSEU-UHFFFAOYSA-N 1 2 386.292 4.310 20 5 GIBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1C(F)(F)F ZINC000190197478 823549607 /nfs/dbraw/zinc/54/96/07/823549607.db2.gz UTBQPZBMWUYWCG-ZDUSSCGKSA-N 1 2 384.358 4.055 20 5 GIBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1C(F)(F)F ZINC000190197478 823549608 /nfs/dbraw/zinc/54/96/08/823549608.db2.gz UTBQPZBMWUYWCG-ZDUSSCGKSA-N 1 2 384.358 4.055 20 5 GIBDLO O=C(C[NH+]1CCC(OC2CCCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000125575483 823686653 /nfs/dbraw/zinc/68/66/53/823686653.db2.gz IYRIFMOOWPICLR-UHFFFAOYSA-N 1 2 395.887 4.000 20 5 GIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175961267 823083056 /nfs/dbraw/zinc/08/30/56/823083056.db2.gz NUTPJBRFWWCCFN-UHFFFAOYSA-N 1 2 377.187 4.340 20 5 GIBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000121172564 823131919 /nfs/dbraw/zinc/13/19/19/823131919.db2.gz GJQGXPNEMJVQDE-UHFFFAOYSA-N 1 2 376.294 4.256 20 5 GIBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1nccn1-c1ccccc1 ZINC000571360314 823170772 /nfs/dbraw/zinc/17/07/72/823170772.db2.gz VQKPJZYKOMNSGP-ZDUSSCGKSA-N 1 2 388.374 4.233 20 5 GIBDLO CC1CC[NH+](Cc2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC000176310325 823179089 /nfs/dbraw/zinc/17/90/89/823179089.db2.gz YBQZWHQRZXKAQL-UHFFFAOYSA-N 1 2 394.884 4.189 20 5 GIBDLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000121747306 823242085 /nfs/dbraw/zinc/24/20/85/823242085.db2.gz LJVBLSFWPBMIGD-FUHWJXTLSA-N 1 2 390.443 4.107 20 5 GIBDLO Cc1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(C)C)s1 ZINC000057400539 823291138 /nfs/dbraw/zinc/29/11/38/823291138.db2.gz XTACVRRPALBVOV-UHFFFAOYSA-N 1 2 384.461 4.201 20 5 GIBDLO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000008262156 818026082 /nfs/dbraw/zinc/02/60/82/818026082.db2.gz JUQZJNPAXJJEQG-AWEZNQCLSA-N 1 2 396.472 4.023 20 5 GIBDLO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000008262156 818026090 /nfs/dbraw/zinc/02/60/90/818026090.db2.gz JUQZJNPAXJJEQG-AWEZNQCLSA-N 1 2 396.472 4.023 20 5 GIBDLO O=[N+]([O-])c1ccccc1Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000029003349 820382411 /nfs/dbraw/zinc/38/24/11/820382411.db2.gz KJJADPOVHOSTJP-UHFFFAOYSA-N 1 2 395.488 4.313 20 5 GIBDLO COc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1[N+](=O)[O-] ZINC000044568207 821610263 /nfs/dbraw/zinc/61/02/63/821610263.db2.gz FJPMWWQHBIIYCV-UHFFFAOYSA-N 1 2 392.415 4.056 20 5 GIBDLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000181968225 822048421 /nfs/dbraw/zinc/04/84/21/822048421.db2.gz XQZLUCRMYBLBHK-CYBMUJFWSA-N 1 2 383.404 4.118 20 5 GIBDLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000179530918 822497998 /nfs/dbraw/zinc/49/79/98/822497998.db2.gz BZCVJMXCAVMNCT-AWEZNQCLSA-N 1 2 382.420 4.283 20 5 GIBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC(F)F)cc1 ZINC000179601883 822510744 /nfs/dbraw/zinc/51/07/44/822510744.db2.gz KPLCKKZBJDMTIV-LLVKDONJSA-N 1 2 390.346 4.097 20 5 GIBDLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000179677775 822525161 /nfs/dbraw/zinc/52/51/61/822525161.db2.gz WFQJUBPTZLCGHO-AWEZNQCLSA-N 1 2 382.420 4.283 20 5 GIBDLO COc1cc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c([N+](=O)[O-])cc1F ZINC000184264955 822605437 /nfs/dbraw/zinc/60/54/37/822605437.db2.gz HQKRLWMVPFFJRF-ZDUSSCGKSA-N 1 2 378.425 4.041 20 5 GIBDLO COc1cc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c([N+](=O)[O-])cc1F ZINC000184264955 822605441 /nfs/dbraw/zinc/60/54/41/822605441.db2.gz HQKRLWMVPFFJRF-ZDUSSCGKSA-N 1 2 378.425 4.041 20 5 GIBDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052070712 822789620 /nfs/dbraw/zinc/78/96/20/822789620.db2.gz VUKYCYNWWQXEPT-UHFFFAOYSA-N 1 2 383.231 4.400 20 5 GIBDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052070712 822789623 /nfs/dbraw/zinc/78/96/23/822789623.db2.gz VUKYCYNWWQXEPT-UHFFFAOYSA-N 1 2 383.231 4.400 20 5 GIBDLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000185610945 822801969 /nfs/dbraw/zinc/80/19/69/822801969.db2.gz CERXWFMTSYJBQR-OAHLLOKOSA-N 1 2 398.488 4.190 20 5 GIBDLO Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055768951 823040995 /nfs/dbraw/zinc/04/09/95/823040995.db2.gz BNIZPGWCONBGFD-UHFFFAOYSA-N 1 2 380.404 4.128 20 5 GIBDLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000190421478 823571466 /nfs/dbraw/zinc/57/14/66/823571466.db2.gz SPPVSJNALOFYMU-SNVBAGLBSA-N 1 2 383.217 4.356 20 5 GIBDLO O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000125254124 823662694 /nfs/dbraw/zinc/66/26/94/823662694.db2.gz LJFQFWHULCQIBS-UHFFFAOYSA-N 1 2 399.819 4.296 20 5 GIBDLO Cc1ccccc1C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000170954561 824016144 /nfs/dbraw/zinc/01/61/44/824016144.db2.gz MIAXCQSXBPYMHS-UHFFFAOYSA-N 1 2 390.443 4.109 20 5 GIBDLO C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000187419467 823060240 /nfs/dbraw/zinc/06/02/40/823060240.db2.gz PAFBJLMICOYGJY-SNVBAGLBSA-N 1 2 375.226 4.084 20 5 GIBDLO CCCCOc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000056028310 823080026 /nfs/dbraw/zinc/08/00/26/823080026.db2.gz PJBLLZGKDHZCFA-UHFFFAOYSA-N 1 2 380.404 4.212 20 5 GIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CCO)c1ccccc1Br ZINC000572872125 823412202 /nfs/dbraw/zinc/41/22/02/823412202.db2.gz LGQVPXAFARNWLU-OAHLLOKOSA-N 1 2 399.672 4.224 20 5 GIBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000032475811 820954313 /nfs/dbraw/zinc/95/43/13/820954313.db2.gz KNLNPLVAMKEBOE-OAHLLOKOSA-N 1 2 386.411 4.425 20 5 GIBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000033239935 821053544 /nfs/dbraw/zinc/05/35/44/821053544.db2.gz YBVZOOIMPLKOMH-MRXNPFEDSA-N 1 2 384.823 4.315 20 5 GIBDLO O=C(Nc1nc(-c2cccs2)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000042631232 821316268 /nfs/dbraw/zinc/31/62/68/821316268.db2.gz GXDWDUJRPZBTKK-UHFFFAOYSA-N 1 2 397.441 4.218 20 5 GIBDLO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000180696603 821399921 /nfs/dbraw/zinc/39/99/21/821399921.db2.gz PGYFYGAYYUXGRP-ZIAGYGMSSA-N 1 2 382.420 4.455 20 5 GIBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)s1 ZINC000182302695 822193921 /nfs/dbraw/zinc/19/39/21/822193921.db2.gz FQFVBGRIULORGC-UHFFFAOYSA-N 1 2 393.896 4.013 20 5 GIBDLO CN(Cc1cccc2ccccc21)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045186790 822368723 /nfs/dbraw/zinc/36/87/23/822368723.db2.gz VTKRCRFSHLGDLX-UHFFFAOYSA-N 1 2 386.411 4.206 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccncc1 ZINC000183239125 822446586 /nfs/dbraw/zinc/44/65/86/822446586.db2.gz NOSYOKKTFBDENM-UHFFFAOYSA-N 1 2 399.410 4.023 20 5 GIBDLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000179675931 822524624 /nfs/dbraw/zinc/52/46/24/822524624.db2.gz CWRGBAOUPWWAAY-CQSZACIVSA-N 1 2 382.420 4.283 20 5 GIBDLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000179745830 822541667 /nfs/dbraw/zinc/54/16/67/822541667.db2.gz IIXPCNQEFYZENJ-QGZVFWFLSA-N 1 2 382.420 4.284 20 5 GIBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184882027 822706548 /nfs/dbraw/zinc/70/65/48/822706548.db2.gz CPLTVDZMVAGTOC-LSDHHAIUSA-N 1 2 394.431 4.236 20 5 GIBDLO O=C(Nc1ccccc1CC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174448346 822790994 /nfs/dbraw/zinc/79/09/94/822790994.db2.gz BBSGMHYPEZKDSP-UHFFFAOYSA-N 1 2 390.321 4.138 20 5 GIBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224729 822869609 /nfs/dbraw/zinc/86/96/09/822869609.db2.gz LVRIVVIVSIQNSX-LBPRGKRZSA-N 1 2 386.408 4.039 20 5 GIBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000175281483 822923269 /nfs/dbraw/zinc/92/32/69/822923269.db2.gz YZNZLVKTUCRBND-UHFFFAOYSA-N 1 2 397.406 4.432 20 5 GIBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458018743 822950899 /nfs/dbraw/zinc/95/08/99/822950899.db2.gz CZCAXOMEMDTQHT-MOPGFXCFSA-N 1 2 390.443 4.189 20 5 GIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175420141 822964300 /nfs/dbraw/zinc/96/43/00/822964300.db2.gz WYNLMWZYKMITAJ-QZXCRCNTSA-N 1 2 390.505 4.312 20 5 GIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175420141 822964305 /nfs/dbraw/zinc/96/43/05/822964305.db2.gz WYNLMWZYKMITAJ-QZXCRCNTSA-N 1 2 390.505 4.312 20 5 GIBDLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060861897 823563102 /nfs/dbraw/zinc/56/31/02/823563102.db2.gz HJCQSPGHBSJSAV-UHFFFAOYSA-N 1 2 386.415 4.158 20 5 GIBDLO CC(=O)c1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000572428310 823337051 /nfs/dbraw/zinc/33/70/51/823337051.db2.gz VYPYBKNKJHKUIN-UHFFFAOYSA-N 1 2 389.402 4.152 20 5 GIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000572851602 823409563 /nfs/dbraw/zinc/40/95/63/823409563.db2.gz SSMWXCAWDORIIC-UHFFFAOYSA-N 1 2 385.468 4.078 20 5 GIBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000025918022 820039077 /nfs/dbraw/zinc/03/90/77/820039077.db2.gz VBPRTDZVFCVANT-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000025918022 820039088 /nfs/dbraw/zinc/03/90/88/820039088.db2.gz VBPRTDZVFCVANT-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO CC[C@H]1CCc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)sc2C1 ZINC000059318007 823491541 /nfs/dbraw/zinc/49/15/41/823491541.db2.gz NOEGZMFMEQMQIX-LBPRGKRZSA-N 1 2 397.460 4.004 20 5 GIBDLO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032487684 820958610 /nfs/dbraw/zinc/95/86/10/820958610.db2.gz IJCRMXARSSYWOC-UHFFFAOYSA-N 1 2 392.459 4.350 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032638959 820982419 /nfs/dbraw/zinc/98/24/19/820982419.db2.gz BUAOPAUVGZWGFA-QGZVFWFLSA-N 1 2 396.834 4.411 20 5 GIBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000182538306 822290443 /nfs/dbraw/zinc/29/04/43/822290443.db2.gz SVXGSDXVHYSZIM-CHWSQXEVSA-N 1 2 395.419 4.015 20 5 GIBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184468980 822641349 /nfs/dbraw/zinc/64/13/49/822641349.db2.gz CMCAKUICKNCGAU-NWDGAFQWSA-N 1 2 376.482 4.027 20 5 GIBDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184494104 822645193 /nfs/dbraw/zinc/64/51/93/822645193.db2.gz QKCXXEZBPVZGEU-NEPJUHHUSA-N 1 2 376.482 4.027 20 5 GIBDLO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184500833 822646298 /nfs/dbraw/zinc/64/62/98/822646298.db2.gz MKFUHUQAPDBBGK-JTQLQIEISA-N 1 2 396.900 4.292 20 5 GIBDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052048237 822789041 /nfs/dbraw/zinc/78/90/41/822789041.db2.gz ZJPULJJQNWTFCR-UHFFFAOYSA-N 1 2 382.338 4.112 20 5 GIBDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052048237 822789044 /nfs/dbraw/zinc/78/90/44/822789044.db2.gz ZJPULJJQNWTFCR-UHFFFAOYSA-N 1 2 382.338 4.112 20 5 GIBDLO Cc1ccc(Sc2ccc(C(=O)N[C@H](C)Cn3cc[nH+]c3)cc2[N+](=O)[O-])cc1 ZINC000052749642 822809479 /nfs/dbraw/zinc/80/94/79/822809479.db2.gz JWAPPVRWALQLSO-OAHLLOKOSA-N 1 2 396.472 4.069 20 5 GIBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458081519 822956361 /nfs/dbraw/zinc/95/63/61/822956361.db2.gz HPCXBBNXZHQQSP-RBUKOAKNSA-N 1 2 390.443 4.189 20 5 GIBDLO C[C@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000064141563 823754073 /nfs/dbraw/zinc/75/40/73/823754073.db2.gz SLEFGRWUIHFCME-OAHLLOKOSA-N 1 2 395.484 4.329 20 5 GIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000462443546 823977318 /nfs/dbraw/zinc/97/73/18/823977318.db2.gz FRIXKWPMZQRYLH-HNNXBMFYSA-N 1 2 382.395 4.127 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121053894 823109602 /nfs/dbraw/zinc/10/96/02/823109602.db2.gz MYDCGZSJDBFVOO-CQSZACIVSA-N 1 2 390.509 4.423 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121053894 823109606 /nfs/dbraw/zinc/10/96/06/823109606.db2.gz MYDCGZSJDBFVOO-CQSZACIVSA-N 1 2 390.509 4.423 20 5 GIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(Cl)s1 ZINC000018939205 818581193 /nfs/dbraw/zinc/58/11/93/818581193.db2.gz BFKWRULJAMTIMZ-SECBINFHSA-N 1 2 388.276 4.422 20 5 GIBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000018939205 818581199 /nfs/dbraw/zinc/58/11/99/818581199.db2.gz BFKWRULJAMTIMZ-SECBINFHSA-N 1 2 388.276 4.422 20 5 GIBDLO CC(C)c1nc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2o1 ZINC000032178611 820901508 /nfs/dbraw/zinc/90/15/08/820901508.db2.gz NSFVLTGFUWZUCI-UHFFFAOYSA-N 1 2 391.387 4.297 20 5 GIBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000032475812 820954565 /nfs/dbraw/zinc/95/45/65/820954565.db2.gz KNLNPLVAMKEBOE-HNNXBMFYSA-N 1 2 386.411 4.425 20 5 GIBDLO Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)onc1C1CCCCC1 ZINC000410878209 823520410 /nfs/dbraw/zinc/52/04/10/823520410.db2.gz WKRNOZXIIQOOLX-UHFFFAOYSA-N 1 2 395.419 4.377 20 5 GIBDLO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000178207063 822352571 /nfs/dbraw/zinc/35/25/71/822352571.db2.gz UNCZVWMLZDFIKM-ZDUSSCGKSA-N 1 2 382.445 4.008 20 5 GIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000183971505 822555922 /nfs/dbraw/zinc/55/59/22/822555922.db2.gz LOQIKVHZFRNJMN-HNNXBMFYSA-N 1 2 388.493 4.184 20 5 GIBDLO COc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c([N+](=O)[O-])cc1F ZINC000184264939 822605523 /nfs/dbraw/zinc/60/55/23/822605523.db2.gz HQKRLWMVPFFJRF-CYBMUJFWSA-N 1 2 378.425 4.041 20 5 GIBDLO COc1cc(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c([N+](=O)[O-])cc1F ZINC000184264939 822605525 /nfs/dbraw/zinc/60/55/25/822605525.db2.gz HQKRLWMVPFFJRF-CYBMUJFWSA-N 1 2 378.425 4.041 20 5 GIBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cccc1[N+](=O)[O-] ZINC000184486513 822644047 /nfs/dbraw/zinc/64/40/47/822644047.db2.gz RNILGSGITHBDFL-QWHCGFSZSA-N 1 2 390.509 4.335 20 5 GIBDLO CC1CC[NH+](Cc2csc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)CC1 ZINC000052609560 822804910 /nfs/dbraw/zinc/80/49/10/822804910.db2.gz BFUKUWOTJOAYGB-UHFFFAOYSA-N 1 2 399.476 4.017 20 5 GIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000175025795 822870121 /nfs/dbraw/zinc/87/01/21/822870121.db2.gz QNPOVLFSTRLXKS-MNOVXSKESA-N 1 2 395.818 4.074 20 5 GIBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458082416 822956272 /nfs/dbraw/zinc/95/62/72/822956272.db2.gz HPCXBBNXZHQQSP-RTBURBONSA-N 1 2 390.443 4.189 20 5 GIBDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])n2)cc1F ZINC000570463001 823041013 /nfs/dbraw/zinc/04/10/13/823041013.db2.gz OCOWQDZMAMSMRH-SJCJKPOMSA-N 1 2 382.395 4.430 20 5 GIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000191363297 823676798 /nfs/dbraw/zinc/67/67/98/823676798.db2.gz XUSTZVWFKKVFFH-OAHLLOKOSA-N 1 2 388.493 4.184 20 5 GIBDLO COc1ccc(C[N@H+](C)Cc2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000063742039 823693160 /nfs/dbraw/zinc/69/31/60/823693160.db2.gz UQWWBRJWFWIDLJ-UHFFFAOYSA-N 1 2 383.217 4.137 20 5 GIBDLO COc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000063742039 823693162 /nfs/dbraw/zinc/69/31/62/823693162.db2.gz UQWWBRJWFWIDLJ-UHFFFAOYSA-N 1 2 383.217 4.137 20 5 GIBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(Br)c1 ZINC000462388750 823955241 /nfs/dbraw/zinc/95/52/41/823955241.db2.gz LQRUBCJSBSBMKF-UHFFFAOYSA-N 1 2 391.200 4.294 20 5 GIBDLO CC(C)CNC(=O)[C@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000007098597 204232212 /nfs/dbraw/zinc/23/22/12/204232212.db2.gz ONBKFANGQJXGOL-AWEZNQCLSA-N 1 2 378.501 4.289 20 5 GIBDLO CC(C)CNC(=O)[C@@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000007098592 204232785 /nfs/dbraw/zinc/23/27/85/204232785.db2.gz ONBKFANGQJXGOL-CQSZACIVSA-N 1 2 378.501 4.289 20 5 GIBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1nccn1-c1ccccc1 ZINC000571360313 823170764 /nfs/dbraw/zinc/17/07/64/823170764.db2.gz VQKPJZYKOMNSGP-CYBMUJFWSA-N 1 2 388.374 4.233 20 5 GIBDLO COc1cc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000459636801 823234696 /nfs/dbraw/zinc/23/46/96/823234696.db2.gz RBHOJRGMVWTZPM-SECBINFHSA-N 1 2 399.419 4.001 20 5 GIBDLO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000121747712 823242379 /nfs/dbraw/zinc/24/23/79/823242379.db2.gz LJVBLSFWPBMIGD-AEFFLSMTSA-N 1 2 390.443 4.107 20 5 GIBDLO Cc1cc(Nc2ncnc3sc([N+](=O)[O-])cc32)c[nH+]c1N1CCCC[C@@H]1C ZINC000572146496 823290208 /nfs/dbraw/zinc/29/02/08/823290208.db2.gz XDCSDRNFSDYLAY-LBPRGKRZSA-N 1 2 384.465 4.425 20 5 GIBDLO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409729699 823292478 /nfs/dbraw/zinc/29/24/78/823292478.db2.gz FKELCBFHEDPBFL-ZFWWWQNUSA-N 1 2 384.864 4.480 20 5 GIBDLO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409729699 823292479 /nfs/dbraw/zinc/29/24/79/823292479.db2.gz FKELCBFHEDPBFL-ZFWWWQNUSA-N 1 2 384.864 4.480 20 5 GIBDLO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409729697 823292642 /nfs/dbraw/zinc/29/26/42/823292642.db2.gz FKELCBFHEDPBFL-HIFRSBDPSA-N 1 2 384.864 4.480 20 5 GIBDLO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409729697 823292645 /nfs/dbraw/zinc/29/26/45/823292645.db2.gz FKELCBFHEDPBFL-HIFRSBDPSA-N 1 2 384.864 4.480 20 5 GIBDLO C[N@H+](Cc1ccc(Br)s1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176988647 823343423 /nfs/dbraw/zinc/34/34/23/823343423.db2.gz KVRVDVXSGCVRHQ-UHFFFAOYSA-N 1 2 382.239 4.192 20 5 GIBDLO C[N@@H+](Cc1ccc(Br)s1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176988647 823343429 /nfs/dbraw/zinc/34/34/29/823343429.db2.gz KVRVDVXSGCVRHQ-UHFFFAOYSA-N 1 2 382.239 4.192 20 5 GIBDLO C[C@@H](c1nnc(Sc2ccccc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000029001437 820382497 /nfs/dbraw/zinc/38/24/97/820382497.db2.gz MWIVOAJVYPOFGA-LBPRGKRZSA-N 1 2 387.440 4.088 20 5 GIBDLO Cc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1[N+](=O)[O-] ZINC000044567159 821609651 /nfs/dbraw/zinc/60/96/51/821609651.db2.gz DZUJTXNADGXFCV-UHFFFAOYSA-N 1 2 376.416 4.355 20 5 GIBDLO Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000044567596 821609735 /nfs/dbraw/zinc/60/97/35/821609735.db2.gz IXTYBDMFCRMRGT-UHFFFAOYSA-N 1 2 376.416 4.355 20 5 GIBDLO Cc1cc(C)c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000178760289 822407577 /nfs/dbraw/zinc/40/75/77/822407577.db2.gz ZROSFMRJQWTXKY-UHFFFAOYSA-N 1 2 378.226 4.238 20 5 GIBDLO O=C(c1ccccc1)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000179155633 822445244 /nfs/dbraw/zinc/44/52/44/822445244.db2.gz DGLYLVYIRLSAKU-UHFFFAOYSA-N 1 2 391.427 4.345 20 5 GIBDLO O=[N+]([O-])c1ccc(-c2nc(Cn3nc(C(F)(F)F)c4c[nH+]ccc43)co2)cc1 ZINC000179932277 822579467 /nfs/dbraw/zinc/57/94/67/822579467.db2.gz FRQGYQARHPDJKD-UHFFFAOYSA-N 1 2 389.293 4.062 20 5 GIBDLO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184469013 822641411 /nfs/dbraw/zinc/64/14/11/822641411.db2.gz CMCAKUICKNCGAU-VXGBXAGGSA-N 1 2 376.482 4.027 20 5 GIBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184500853 822646323 /nfs/dbraw/zinc/64/63/23/822646323.db2.gz MKFUHUQAPDBBGK-SNVBAGLBSA-N 1 2 396.900 4.292 20 5 GIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1 ZINC000184779067 822689819 /nfs/dbraw/zinc/68/98/19/822689819.db2.gz FCCYGICNABZCPX-UHFFFAOYSA-N 1 2 388.374 4.171 20 5 GIBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185228518 822751974 /nfs/dbraw/zinc/75/19/74/822751974.db2.gz XRYVJZYEJXCNQU-LBPRGKRZSA-N 1 2 394.884 4.220 20 5 GIBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000051499949 822763113 /nfs/dbraw/zinc/76/31/13/822763113.db2.gz MVMKCVDXWZDKNS-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000051499949 822763116 /nfs/dbraw/zinc/76/31/16/822763116.db2.gz MVMKCVDXWZDKNS-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000192354294 823957330 /nfs/dbraw/zinc/95/73/30/823957330.db2.gz FMDNSKGTOWYNMT-PXAZEXFGSA-N 1 2 380.404 4.079 20 5 GIBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000570551032 823053283 /nfs/dbraw/zinc/05/32/83/823053283.db2.gz NQFAKIRAHYXLLD-GOSISDBHSA-N 1 2 396.472 4.091 20 5 GIBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000570714767 823074844 /nfs/dbraw/zinc/07/48/44/823074844.db2.gz MWNRSQFNAUYXLO-UHFFFAOYSA-N 1 2 390.321 4.111 20 5 GIBDLO Cc1noc(C2C[NH+](Cc3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2)n1 ZINC000459604282 823228655 /nfs/dbraw/zinc/22/86/55/823228655.db2.gz JLTNTBBYWGVSSX-UHFFFAOYSA-N 1 2 396.472 4.345 20 5 GIBDLO O=C(NCc1ccc(Cl)cc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015303706 818310650 /nfs/dbraw/zinc/31/06/50/818310650.db2.gz AUOUPRLVXAONPC-UHFFFAOYSA-N 1 2 391.214 4.017 20 5 GIBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000122322006 823337952 /nfs/dbraw/zinc/33/79/52/823337952.db2.gz PVSRQLSVNTXPIZ-UHFFFAOYSA-N 1 2 395.806 4.096 20 5 GIBDLO CC(C)(C)c1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000024751417 819873568 /nfs/dbraw/zinc/87/35/68/819873568.db2.gz DESJZQLHWXSIKL-UHFFFAOYSA-N 1 2 392.459 4.067 20 5 GIBDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000025414694 819977131 /nfs/dbraw/zinc/97/71/31/819977131.db2.gz OKFXAYXILGJKHX-QGZVFWFLSA-N 1 2 389.839 4.032 20 5 GIBDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000025414694 819977135 /nfs/dbraw/zinc/97/71/35/819977135.db2.gz OKFXAYXILGJKHX-QGZVFWFLSA-N 1 2 389.839 4.032 20 5 GIBDLO O=[N+]([O-])c1ccc2nc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)sc2c1 ZINC000059644214 823497308 /nfs/dbraw/zinc/49/73/08/823497308.db2.gz GWWATJFMDJHWGE-UHFFFAOYSA-N 1 2 388.880 4.180 20 5 GIBDLO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000180696570 821400200 /nfs/dbraw/zinc/40/02/00/821400200.db2.gz PGYFYGAYYUXGRP-KGLIPLIRSA-N 1 2 382.420 4.455 20 5 GIBDLO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000181235038 821711628 /nfs/dbraw/zinc/71/16/28/821711628.db2.gz FYQUEYXGRYDTGJ-ZIAGYGMSSA-N 1 2 383.427 4.343 20 5 GIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000181583371 821889199 /nfs/dbraw/zinc/88/91/99/821889199.db2.gz VIIGVBIXJMXPRH-RHSMWYFYSA-N 1 2 388.493 4.015 20 5 GIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000181809695 822001710 /nfs/dbraw/zinc/00/17/10/822001710.db2.gz DWQMVOSOLSUCPV-SNVBAGLBSA-N 1 2 392.337 4.221 20 5 GIBDLO Cc1cccc(C[NH+](CCOc2ccccc2[N+](=O)[O-])Cc2cccc(C)n2)n1 ZINC000177999327 822276801 /nfs/dbraw/zinc/27/68/01/822276801.db2.gz URZMNXKSODKNNJ-UHFFFAOYSA-N 1 2 392.459 4.083 20 5 GIBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(OC(F)F)c1 ZINC000179590129 822508283 /nfs/dbraw/zinc/50/82/83/822508283.db2.gz TWHDLIIRXVPUEX-LLVKDONJSA-N 1 2 390.346 4.097 20 5 GIBDLO COc1cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180135284 822623377 /nfs/dbraw/zinc/62/33/77/822623377.db2.gz FJMVQUARAVCWMQ-LBPRGKRZSA-N 1 2 396.390 4.146 20 5 GIBDLO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180135284 822623380 /nfs/dbraw/zinc/62/33/80/822623380.db2.gz FJMVQUARAVCWMQ-LBPRGKRZSA-N 1 2 396.390 4.146 20 5 GIBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C(C)(C)C)cs1 ZINC000184451149 822637414 /nfs/dbraw/zinc/63/74/14/822637414.db2.gz YPPQOFKYGYGTHN-SNVBAGLBSA-N 1 2 396.900 4.292 20 5 GIBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050331853 822725857 /nfs/dbraw/zinc/72/58/57/822725857.db2.gz YLKGMLUAZPYHKI-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc([N+](=O)[O-])c1C ZINC000051424281 822759592 /nfs/dbraw/zinc/75/95/92/822759592.db2.gz CXLUOJMCCRVOPE-UHFFFAOYSA-N 1 2 395.381 4.383 20 5 GIBDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc([N+](=O)[O-])c1C ZINC000051424281 822759594 /nfs/dbraw/zinc/75/95/94/822759594.db2.gz CXLUOJMCCRVOPE-UHFFFAOYSA-N 1 2 395.381 4.383 20 5 GIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175420166 822964668 /nfs/dbraw/zinc/96/46/68/822964668.db2.gz WYNLMWZYKMITAJ-RXAIFQJESA-N 1 2 390.505 4.312 20 5 GIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175420166 822964671 /nfs/dbraw/zinc/96/46/71/822964671.db2.gz WYNLMWZYKMITAJ-RXAIFQJESA-N 1 2 390.505 4.312 20 5 GIBDLO CCCCn1c(SCc2ccc(F)cc2[N+](=O)[O-])nnc1[C@H](CC)[NH+](C)C ZINC000569867536 822978370 /nfs/dbraw/zinc/97/83/70/822978370.db2.gz JUQDMPMCXVHGNJ-HNNXBMFYSA-N 1 2 395.504 4.431 20 5 GIBDLO CCCOc1cc(C)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055619185 822988203 /nfs/dbraw/zinc/98/82/03/822988203.db2.gz SPHXDHMPGQNWAE-UHFFFAOYSA-N 1 2 380.404 4.130 20 5 GIBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000570076006 823003788 /nfs/dbraw/zinc/00/37/88/823003788.db2.gz RWNNEOCVYBLWBJ-UHFFFAOYSA-N 1 2 390.443 4.429 20 5 GIBDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187282775 823036414 /nfs/dbraw/zinc/03/64/14/823036414.db2.gz GDKVQTVFGXKHPE-ZDUSSCGKSA-N 1 2 396.896 4.201 20 5 GIBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000124037826 823561964 /nfs/dbraw/zinc/56/19/64/823561964.db2.gz BIABUGKTNCOQEM-CYBMUJFWSA-N 1 2 384.461 4.363 20 5 GIBDLO C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000030030763 820571772 /nfs/dbraw/zinc/57/17/72/820571772.db2.gz UTQGWPRONFZLHC-HXUWFJFHSA-N 1 2 381.476 4.021 20 5 GIBDLO C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000030030763 820571777 /nfs/dbraw/zinc/57/17/77/820571777.db2.gz UTQGWPRONFZLHC-HXUWFJFHSA-N 1 2 381.476 4.021 20 5 GIBDLO CC(C)C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032636814 820981695 /nfs/dbraw/zinc/98/16/95/820981695.db2.gz GKRORRBYOIRWBC-GOSISDBHSA-N 1 2 378.432 4.298 20 5 GIBDLO O=[N+]([O-])c1ccc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(F)c1 ZINC000042097211 821265047 /nfs/dbraw/zinc/26/50/47/821265047.db2.gz JICCERUDQPSSSY-UHFFFAOYSA-N 1 2 399.451 4.062 20 5 GIBDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000178017375 822283699 /nfs/dbraw/zinc/28/36/99/822283699.db2.gz MTIATUKNBCFARW-UHFFFAOYSA-N 1 2 383.876 4.080 20 5 GIBDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000182547911 822296240 /nfs/dbraw/zinc/29/62/40/822296240.db2.gz GDDICTUNYDYUHI-ZDUSSCGKSA-N 1 2 380.404 4.059 20 5 GIBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000045507436 822391680 /nfs/dbraw/zinc/39/16/80/822391680.db2.gz UZJCVZOEDYRBQD-OAHLLOKOSA-N 1 2 394.431 4.012 20 5 GIBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000046644620 822497329 /nfs/dbraw/zinc/49/73/29/822497329.db2.gz ZNBGYMYZXZIIDY-CQSZACIVSA-N 1 2 382.395 4.143 20 5 GIBDLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000179529653 822497797 /nfs/dbraw/zinc/49/77/97/822497797.db2.gz LGRRREMHHRPKIL-CQSZACIVSA-N 1 2 382.420 4.283 20 5 GIBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(OC(F)F)c1 ZINC000179590118 822508243 /nfs/dbraw/zinc/50/82/43/822508243.db2.gz TWHDLIIRXVPUEX-NSHDSACASA-N 1 2 390.346 4.097 20 5 GIBDLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000179665132 822523080 /nfs/dbraw/zinc/52/30/80/822523080.db2.gz YYVQTWQPDLMVBB-AWEZNQCLSA-N 1 2 382.420 4.283 20 5 GIBDLO C[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1cccc([N+](=O)[O-])c1 ZINC000183988287 822558628 /nfs/dbraw/zinc/55/86/28/822558628.db2.gz CLNVPLIMLWRABN-GFCCVEGCSA-N 1 2 384.461 4.436 20 5 GIBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184461315 822639653 /nfs/dbraw/zinc/63/96/53/822639653.db2.gz SNNJMFYMDPKDTB-NWDGAFQWSA-N 1 2 376.482 4.027 20 5 GIBDLO Cc1ccc(Sc2ccc(C(=O)N[C@@H](C)Cn3cc[nH+]c3)cc2[N+](=O)[O-])cc1 ZINC000052749641 822809540 /nfs/dbraw/zinc/80/95/40/822809540.db2.gz JWAPPVRWALQLSO-HNNXBMFYSA-N 1 2 396.472 4.069 20 5 GIBDLO C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000186224375 822862365 /nfs/dbraw/zinc/86/23/65/822862365.db2.gz DSUITIZEPSRPOL-QFIPXVFZSA-N 1 2 390.443 4.018 20 5 GIBDLO 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COc1cc(CNc2ccc3c(c2)CCC[NH2+]3)c([N+](=O)[O-])cc1OCC(F)F ZINC000414851626 824042255 /nfs/dbraw/zinc/04/22/55/824042255.db2.gz ONJDWBLWDDOEOF-UHFFFAOYSA-N 1 2 393.390 4.218 20 5 GIBDLO COc1ccc([C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000192642586 824054324 /nfs/dbraw/zinc/05/43/24/824054324.db2.gz AVXVZZPOQUZLRR-NHCUHLMSSA-N 1 2 392.459 4.094 20 5 GIBDLO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000175872035 823060682 /nfs/dbraw/zinc/06/06/82/823060682.db2.gz WOINGXXGMPDKPT-UHFFFAOYSA-N 1 2 395.525 4.268 20 5 GIBDLO COCc1nc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cs1 ZINC000571486361 823190180 /nfs/dbraw/zinc/19/01/80/823190180.db2.gz CDDGAHXGZGYFQF-UHFFFAOYSA-N 1 2 398.488 4.255 20 5 GIBDLO O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176801333 823296162 /nfs/dbraw/zinc/29/61/62/823296162.db2.gz ZGACWPZEPBPFMG-UHFFFAOYSA-N 1 2 389.371 4.051 20 5 GIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000008120247 818003526 /nfs/dbraw/zinc/00/35/26/818003526.db2.gz NBLGMFUMFWHDIA-UHFFFAOYSA-N 1 2 382.247 4.281 20 5 GIBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000008120247 818003536 /nfs/dbraw/zinc/00/35/36/818003536.db2.gz NBLGMFUMFWHDIA-UHFFFAOYSA-N 1 2 382.247 4.281 20 5 GIBDLO COc1ccc(C[N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cc1F ZINC000023846793 818986106 /nfs/dbraw/zinc/98/61/06/818986106.db2.gz GGKNNQXHVINRDU-UHFFFAOYSA-N 1 2 377.397 4.109 20 5 GIBDLO COc1ccc(C[N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cc1F ZINC000023846793 818986112 /nfs/dbraw/zinc/98/61/12/818986112.db2.gz GGKNNQXHVINRDU-UHFFFAOYSA-N 1 2 377.397 4.109 20 5 GIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000025423718 819978489 /nfs/dbraw/zinc/97/84/89/819978489.db2.gz PBSCAAVLEKTKNN-XHDPSFHLSA-N 1 2 379.869 4.474 20 5 GIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000025423718 819978495 /nfs/dbraw/zinc/97/84/95/819978495.db2.gz PBSCAAVLEKTKNN-XHDPSFHLSA-N 1 2 379.869 4.474 20 5 GIBDLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000060445252 823528571 /nfs/dbraw/zinc/52/85/71/823528571.db2.gz YIQAHOVAPSKFQI-UHFFFAOYSA-N 1 2 398.850 4.150 20 5 GIBDLO O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000041779150 821229085 /nfs/dbraw/zinc/22/90/85/821229085.db2.gz JQOGMSFHNLUMRM-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044520839 821598838 /nfs/dbraw/zinc/59/88/38/821598838.db2.gz GPRASGXBKGRCOT-AWEZNQCLSA-N 1 2 397.859 4.016 20 5 GIBDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044520838 821598915 /nfs/dbraw/zinc/59/89/15/821598915.db2.gz GPRASGXBKGRCOT-CQSZACIVSA-N 1 2 397.859 4.016 20 5 GIBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cccc1Cl ZINC000181732315 821966360 /nfs/dbraw/zinc/96/63/60/821966360.db2.gz DVUYNUDCFGLIQV-SECBINFHSA-N 1 2 386.210 4.330 20 5 GIBDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177978226 822266786 /nfs/dbraw/zinc/26/67/86/822266786.db2.gz PANRHTDIJKLHHU-UHFFFAOYSA-N 1 2 391.855 4.108 20 5 GIBDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177978226 822266792 /nfs/dbraw/zinc/26/67/92/822266792.db2.gz PANRHTDIJKLHHU-UHFFFAOYSA-N 1 2 391.855 4.108 20 5 GIBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178273423 822361983 /nfs/dbraw/zinc/36/19/83/822361983.db2.gz TVVVHMMYMMHJGJ-QGZVFWFLSA-N 1 2 384.483 4.216 20 5 GIBDLO C[N@@H+](Cc1csc2ccccc12)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000046089661 822440686 /nfs/dbraw/zinc/44/06/86/822440686.db2.gz ZTNZBCYCVJNBJJ-UHFFFAOYSA-N 1 2 380.429 4.492 20 5 GIBDLO C[N@H+](Cc1csc2ccccc12)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000046089661 822440687 /nfs/dbraw/zinc/44/06/87/822440687.db2.gz ZTNZBCYCVJNBJJ-UHFFFAOYSA-N 1 2 380.429 4.492 20 5 GIBDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179605447 822511243 /nfs/dbraw/zinc/51/12/43/822511243.db2.gz FHOKPHGDSBMDSX-UHFFFAOYSA-N 1 2 395.381 4.383 20 5 GIBDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179605447 822511244 /nfs/dbraw/zinc/51/12/44/822511244.db2.gz FHOKPHGDSBMDSX-UHFFFAOYSA-N 1 2 395.381 4.383 20 5 GIBDLO Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)c1 ZINC000183773385 822526385 /nfs/dbraw/zinc/52/63/85/822526385.db2.gz CDPODEGRLAAJMS-GOSISDBHSA-N 1 2 390.443 4.027 20 5 GIBDLO Cn1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nc2cc(C(F)(F)F)ccc21 ZINC000183802448 822529906 /nfs/dbraw/zinc/52/99/06/822529906.db2.gz STSMLJWFDWZGGF-UHFFFAOYSA-N 1 2 398.772 4.444 20 5 GIBDLO CC(=O)c1ccc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000052473588 822801174 /nfs/dbraw/zinc/80/11/74/822801174.db2.gz DJKRVMHSQFUTRA-UHFFFAOYSA-N 1 2 389.402 4.152 20 5 GIBDLO NC(=O)c1ccc(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000053314786 822830126 /nfs/dbraw/zinc/83/01/26/822830126.db2.gz QCSBIRYRZDWMKS-UHFFFAOYSA-N 1 2 394.258 4.165 20 5 GIBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000053314786 822830128 /nfs/dbraw/zinc/83/01/28/822830128.db2.gz QCSBIRYRZDWMKS-UHFFFAOYSA-N 1 2 394.258 4.165 20 5 GIBDLO C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000054174667 822865950 /nfs/dbraw/zinc/86/59/50/822865950.db2.gz GPUWUJFCGQRSNN-UHFFFAOYSA-N 1 2 375.428 4.479 20 5 GIBDLO C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000054174667 822865954 /nfs/dbraw/zinc/86/59/54/822865954.db2.gz GPUWUJFCGQRSNN-UHFFFAOYSA-N 1 2 375.428 4.479 20 5 GIBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1[N+](=O)[O-] ZINC000186465638 822899686 /nfs/dbraw/zinc/89/96/86/822899686.db2.gz PDOBHHFWTLQGEJ-ZDUSSCGKSA-N 1 2 385.855 4.203 20 5 GIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186566707 822914418 /nfs/dbraw/zinc/91/44/18/822914418.db2.gz POLXYUCDZDHKOO-UHFFFAOYSA-N 1 2 382.464 4.294 20 5 GIBDLO O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000413300338 823748032 /nfs/dbraw/zinc/74/80/32/823748032.db2.gz VRSHBLMVVRLXRY-HAQNSBGRSA-N 1 2 381.358 4.239 20 5 GIBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000192493123 824010477 /nfs/dbraw/zinc/01/04/77/824010477.db2.gz KPWUOGIZQUXLCO-UHFFFAOYSA-N 1 2 376.416 4.355 20 5 GIBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)n2)c1 ZINC000192598372 824041925 /nfs/dbraw/zinc/04/19/25/824041925.db2.gz DMTJJPHZKVJXLA-UHFFFAOYSA-N 1 2 380.379 4.073 20 5 GIBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)n2)c1 ZINC000192598372 824041927 /nfs/dbraw/zinc/04/19/27/824041927.db2.gz DMTJJPHZKVJXLA-UHFFFAOYSA-N 1 2 380.379 4.073 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000120990052 823098472 /nfs/dbraw/zinc/09/84/72/823098472.db2.gz HNLORSXLTBAVJM-AWEZNQCLSA-N 1 2 390.509 4.423 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000120990052 823098475 /nfs/dbraw/zinc/09/84/75/823098475.db2.gz HNLORSXLTBAVJM-AWEZNQCLSA-N 1 2 390.509 4.423 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000120990218 823098484 /nfs/dbraw/zinc/09/84/84/823098484.db2.gz HNLORSXLTBAVJM-CQSZACIVSA-N 1 2 390.509 4.423 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000120990218 823098493 /nfs/dbraw/zinc/09/84/93/823098493.db2.gz HNLORSXLTBAVJM-CQSZACIVSA-N 1 2 390.509 4.423 20 5 GIBDLO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000056207784 823103130 /nfs/dbraw/zinc/10/31/30/823103130.db2.gz AKLWBZFQTLLPHK-OAQYLSRUSA-N 1 2 391.427 4.073 20 5 GIBDLO Cc1ccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)cc1[N+](=O)[O-] ZINC000571202777 823147744 /nfs/dbraw/zinc/14/77/44/823147744.db2.gz NMGILUNXRLBRFV-GOSISDBHSA-N 1 2 396.472 4.091 20 5 GIBDLO O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000014907978 818276024 /nfs/dbraw/zinc/27/60/24/818276024.db2.gz IWTUANRXDQIAOD-UHFFFAOYSA-N 1 2 391.431 4.023 20 5 GIBDLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000016443113 818442888 /nfs/dbraw/zinc/44/28/88/818442888.db2.gz LQDWFLOYECVNJN-UHFFFAOYSA-N 1 2 382.247 4.362 20 5 GIBDLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000016443113 818442893 /nfs/dbraw/zinc/44/28/93/818442893.db2.gz LQDWFLOYECVNJN-UHFFFAOYSA-N 1 2 382.247 4.362 20 5 GIBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000460342371 823358852 /nfs/dbraw/zinc/35/88/52/823358852.db2.gz GUMAAOQEISENKN-UHFFFAOYSA-N 1 2 387.399 4.107 20 5 GIBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC(C(C)(C)C)CC1 ZINC000410059449 823382125 /nfs/dbraw/zinc/38/21/25/823382125.db2.gz ZQQRXKBSUBUZJT-UHFFFAOYSA-N 1 2 384.480 4.457 20 5 GIBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025442635 819980725 /nfs/dbraw/zinc/98/07/25/819980725.db2.gz SXKFWYRPTQXPOW-INIZCTEOSA-N 1 2 377.803 4.163 20 5 GIBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025442635 819980730 /nfs/dbraw/zinc/98/07/30/819980730.db2.gz SXKFWYRPTQXPOW-INIZCTEOSA-N 1 2 377.803 4.163 20 5 GIBDLO CC(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000410330489 823465407 /nfs/dbraw/zinc/46/54/07/823465407.db2.gz YASGUPGHRKAOPM-QGZVFWFLSA-N 1 2 396.491 4.271 20 5 GIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000028677621 820349111 /nfs/dbraw/zinc/34/91/11/820349111.db2.gz KNRFGEACLZEMSS-LLVKDONJSA-N 1 2 394.884 4.189 20 5 GIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000028677621 820349122 /nfs/dbraw/zinc/34/91/22/820349122.db2.gz KNRFGEACLZEMSS-LLVKDONJSA-N 1 2 394.884 4.189 20 5 GIBDLO O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000059887685 823501654 /nfs/dbraw/zinc/50/16/54/823501654.db2.gz JIGNRZUERFIJGG-UHFFFAOYSA-N 1 2 385.383 4.095 20 5 GIBDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032158224 820900161 /nfs/dbraw/zinc/90/01/61/820900161.db2.gz QYMAERHSOZPOFH-CQSZACIVSA-N 1 2 390.399 4.360 20 5 GIBDLO CCc1cc(NCCCCNc2cccc[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060369813 823520686 /nfs/dbraw/zinc/52/06/86/823520686.db2.gz PYWFIKCSMOXRHY-UHFFFAOYSA-N 1 2 392.463 4.313 20 5 GIBDLO O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000042631162 821316187 /nfs/dbraw/zinc/31/61/87/821316187.db2.gz YWOKQFHXGJPIIM-UHFFFAOYSA-N 1 2 377.187 4.340 20 5 GIBDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccc(F)c(F)c1 ZINC000181426396 821820790 /nfs/dbraw/zinc/82/07/90/821820790.db2.gz PZGQDHIZWNCHCG-SFHVURJKSA-N 1 2 380.391 4.138 20 5 GIBDLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000182538290 822290268 /nfs/dbraw/zinc/29/02/68/822290268.db2.gz SVXGSDXVHYSZIM-QWHCGFSZSA-N 1 2 395.419 4.015 20 5 GIBDLO C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045248224 822373292 /nfs/dbraw/zinc/37/32/92/822373292.db2.gz CMTWTLMHDLSRSD-ZDUSSCGKSA-N 1 2 384.823 4.267 20 5 GIBDLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000179529662 822497706 /nfs/dbraw/zinc/49/77/06/822497706.db2.gz LGRRREMHHRPKIL-AWEZNQCLSA-N 1 2 382.420 4.283 20 5 GIBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(OC(F)F)c1 ZINC000179592362 822508674 /nfs/dbraw/zinc/50/86/74/822508674.db2.gz SMMCTLVGQPWNOT-NSHDSACASA-N 1 2 390.346 4.097 20 5 GIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000183971521 822555861 /nfs/dbraw/zinc/55/58/61/822555861.db2.gz LOQIKVHZFRNJMN-OAHLLOKOSA-N 1 2 388.493 4.184 20 5 GIBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000179909041 822575124 /nfs/dbraw/zinc/57/51/24/822575124.db2.gz MSBNSDMRIXMAAQ-UHFFFAOYSA-N 1 2 378.432 4.028 20 5 GIBDLO Cc1cccc(C2=CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)c1 ZINC000180457508 822685762 /nfs/dbraw/zinc/68/57/62/822685762.db2.gz FPXGVTMNILRWMI-UHFFFAOYSA-N 1 2 388.427 4.018 20 5 GIBDLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])n2)cc1F ZINC000570463000 823041133 /nfs/dbraw/zinc/04/11/33/823041133.db2.gz OCOWQDZMAMSMRH-PXAZEXFGSA-N 1 2 382.395 4.430 20 5 GIBDLO COc1cc(C[N@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1O ZINC000125944616 823750178 /nfs/dbraw/zinc/75/01/78/823750178.db2.gz KODMGAGLWHJJGO-UHFFFAOYSA-N 1 2 385.445 4.065 20 5 GIBDLO COc1cc(C[N@@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1O ZINC000125944616 823750185 /nfs/dbraw/zinc/75/01/85/823750185.db2.gz KODMGAGLWHJJGO-UHFFFAOYSA-N 1 2 385.445 4.065 20 5 GIBDLO O=C(Nc1cccc(-c2nccs2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000064833830 823896571 /nfs/dbraw/zinc/89/65/71/823896571.db2.gz BDAQNWVQDACJCF-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000570551033 823053207 /nfs/dbraw/zinc/05/32/07/823053207.db2.gz NQFAKIRAHYXLLD-SFHVURJKSA-N 1 2 396.472 4.091 20 5 GIBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187753059 823125812 /nfs/dbraw/zinc/12/58/12/823125812.db2.gz JTOZWJZLFBKXNB-UHFFFAOYSA-N 1 2 397.475 4.111 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121186823 823134602 /nfs/dbraw/zinc/13/46/02/823134602.db2.gz BJUYGNGSHSMIOW-AWEZNQCLSA-N 1 2 390.509 4.139 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121186823 823134603 /nfs/dbraw/zinc/13/46/03/823134603.db2.gz BJUYGNGSHSMIOW-AWEZNQCLSA-N 1 2 390.509 4.139 20 5 GIBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000571693078 823219792 /nfs/dbraw/zinc/21/97/92/823219792.db2.gz UXHPBGFXYVCTEJ-UHFFFAOYSA-N 1 2 376.294 4.052 20 5 GIBDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000409466786 823226802 /nfs/dbraw/zinc/22/68/02/823226802.db2.gz UQDPULRITMXSII-CQSZACIVSA-N 1 2 390.399 4.326 20 5 GIBDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[nH]1 ZINC000459673559 823247736 /nfs/dbraw/zinc/24/77/36/823247736.db2.gz BBEURFBFSDTDCN-UHFFFAOYSA-N 1 2 399.426 4.232 20 5 GIBDLO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)s1 ZINC000409717830 823289711 /nfs/dbraw/zinc/28/97/11/823289711.db2.gz CAPOPPGFPUSAFX-UHFFFAOYSA-N 1 2 387.292 4.435 20 5 GIBDLO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000008262152 818026415 /nfs/dbraw/zinc/02/64/15/818026415.db2.gz JUQZJNPAXJJEQG-CQSZACIVSA-N 1 2 396.472 4.023 20 5 GIBDLO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000008262152 818026423 /nfs/dbraw/zinc/02/64/23/818026423.db2.gz JUQZJNPAXJJEQG-CQSZACIVSA-N 1 2 396.472 4.023 20 5 GIBDLO CCC1CCC([N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C2CC2)CC1 ZINC000057821316 823337677 /nfs/dbraw/zinc/33/76/77/823337677.db2.gz RQZKCBKDXJIWEB-UHFFFAOYSA-N 1 2 396.491 4.209 20 5 GIBDLO CCC1CCC([N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C2CC2)CC1 ZINC000057821316 823337681 /nfs/dbraw/zinc/33/76/81/823337681.db2.gz RQZKCBKDXJIWEB-UHFFFAOYSA-N 1 2 396.491 4.209 20 5 GIBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000057823018 823338067 /nfs/dbraw/zinc/33/80/67/823338067.db2.gz LVWLFZGVKXLPGX-LJQANCHMSA-N 1 2 396.491 4.211 20 5 GIBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000057823018 823338072 /nfs/dbraw/zinc/33/80/72/823338072.db2.gz LVWLFZGVKXLPGX-LJQANCHMSA-N 1 2 396.491 4.211 20 5 GIBDLO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000018936151 818580968 /nfs/dbraw/zinc/58/09/68/818580968.db2.gz HRRWGYAMODZWOL-UHFFFAOYSA-N 1 2 397.884 4.169 20 5 GIBDLO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000018936151 818580975 /nfs/dbraw/zinc/58/09/75/818580975.db2.gz HRRWGYAMODZWOL-UHFFFAOYSA-N 1 2 397.884 4.169 20 5 GIBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025442638 819980878 /nfs/dbraw/zinc/98/08/78/819980878.db2.gz SXKFWYRPTQXPOW-MRXNPFEDSA-N 1 2 377.803 4.163 20 5 GIBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025442638 819980882 /nfs/dbraw/zinc/98/08/82/819980882.db2.gz SXKFWYRPTQXPOW-MRXNPFEDSA-N 1 2 377.803 4.163 20 5 GIBDLO CCn1c(SCc2[nH+]cc(C)c(OC)c2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123693794 823532328 /nfs/dbraw/zinc/53/23/28/823532328.db2.gz ZODDHQWXOOSZEY-UHFFFAOYSA-N 1 2 399.476 4.186 20 5 GIBDLO CCCCn1c(SCc2ccccc2[N+](=O)[O-])nnc1[C@H](CC)[NH+](C)C ZINC000044172350 821539413 /nfs/dbraw/zinc/53/94/13/821539413.db2.gz RKMXRAIJMLWNEQ-HNNXBMFYSA-N 1 2 377.514 4.291 20 5 GIBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000181750144 821975965 /nfs/dbraw/zinc/97/59/65/821975965.db2.gz UHXAPTXONAEKQL-QWRGUYRKSA-N 1 2 395.818 4.074 20 5 GIBDLO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)co2)cc1 ZINC000182444140 822244693 /nfs/dbraw/zinc/24/46/93/822244693.db2.gz ZMJGGNFTECAIGQ-CQSZACIVSA-N 1 2 395.415 4.196 20 5 GIBDLO CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045395370 822383294 /nfs/dbraw/zinc/38/32/94/822383294.db2.gz OIPABAWCRAGKDH-UHFFFAOYSA-N 1 2 384.823 4.096 20 5 GIBDLO CCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Cl ZINC000046667433 822501034 /nfs/dbraw/zinc/50/10/34/822501034.db2.gz MTESYELKNSUTMY-UHFFFAOYSA-N 1 2 386.795 4.085 20 5 GIBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000184226866 822599413 /nfs/dbraw/zinc/59/94/13/822599413.db2.gz IBKWJCWHLXKHQW-MRXNPFEDSA-N 1 2 390.411 4.097 20 5 GIBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000184226866 822599417 /nfs/dbraw/zinc/59/94/17/822599417.db2.gz IBKWJCWHLXKHQW-MRXNPFEDSA-N 1 2 390.411 4.097 20 5 GIBDLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)n2)c1 ZINC000185129553 822740628 /nfs/dbraw/zinc/74/06/28/822740628.db2.gz RJYDZMNDNSQADK-UONOGXRCSA-N 1 2 382.420 4.374 20 5 GIBDLO COc1cc(C[NH2+]C2(c3nccs3)CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000175011867 822867143 /nfs/dbraw/zinc/86/71/43/822867143.db2.gz IUDSUXIROGJVFL-UHFFFAOYSA-N 1 2 399.419 4.220 20 5 GIBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1C(F)(F)F ZINC000190197500 823549783 /nfs/dbraw/zinc/54/97/83/823549783.db2.gz UTBQPZBMWUYWCG-CYBMUJFWSA-N 1 2 384.358 4.055 20 5 GIBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1C(F)(F)F ZINC000190197500 823549785 /nfs/dbraw/zinc/54/97/85/823549785.db2.gz UTBQPZBMWUYWCG-CYBMUJFWSA-N 1 2 384.358 4.055 20 5 GIBDLO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000461310017 823615255 /nfs/dbraw/zinc/61/52/55/823615255.db2.gz RJJWSBVNMLBURX-KUHUBIRLSA-N 1 2 394.406 4.143 20 5 GIBDLO CC[N@H+](C)[C@@H](c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccccc1 ZINC000574364506 823709428 /nfs/dbraw/zinc/70/94/28/823709428.db2.gz DVPQZGFBXDJDCD-HXUWFJFHSA-N 1 2 391.431 4.091 20 5 GIBDLO CC[N@@H+](C)[C@@H](c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccccc1 ZINC000574364506 823709438 /nfs/dbraw/zinc/70/94/38/823709438.db2.gz DVPQZGFBXDJDCD-HXUWFJFHSA-N 1 2 391.431 4.091 20 5 GIBDLO COc1ccc([C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000192642600 824054302 /nfs/dbraw/zinc/05/43/02/824054302.db2.gz AVXVZZPOQUZLRR-RTWAWAEBSA-N 1 2 392.459 4.094 20 5 GIBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000359928402 206270279 /nfs/dbraw/zinc/27/02/79/206270279.db2.gz RSWFWQRNGFDBTD-UHFFFAOYSA-N 1 2 376.416 4.355 20 5 GIBDLO Cn1cc(C[N@H+](C)Cc2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120780864 823062734 /nfs/dbraw/zinc/06/27/34/823062734.db2.gz PNMMBYGLJTUVRY-UHFFFAOYSA-N 1 2 393.472 4.237 20 5 GIBDLO Cn1cc(C[N@@H+](C)Cc2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120780864 823062740 /nfs/dbraw/zinc/06/27/40/823062740.db2.gz PNMMBYGLJTUVRY-UHFFFAOYSA-N 1 2 393.472 4.237 20 5 GIBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNc2ccccc2C[NH+]2CCOCC2)o1 ZINC000120969432 823095047 /nfs/dbraw/zinc/09/50/47/823095047.db2.gz WEHFYVZFIUEXHY-UHFFFAOYSA-N 1 2 393.443 4.299 20 5 GIBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1OC(F)(F)F ZINC000176998757 823346315 /nfs/dbraw/zinc/34/63/15/823346315.db2.gz WOLGJJWAZRVBEU-UHFFFAOYSA-N 1 2 381.310 4.267 20 5 GIBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1OC(F)(F)F ZINC000176998757 823346319 /nfs/dbraw/zinc/34/63/19/823346319.db2.gz WOLGJJWAZRVBEU-UHFFFAOYSA-N 1 2 381.310 4.267 20 5 GIBDLO CC(C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000410330488 823465105 /nfs/dbraw/zinc/46/51/05/823465105.db2.gz YASGUPGHRKAOPM-KRWDZBQOSA-N 1 2 396.491 4.271 20 5 GIBDLO CCN(c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1)C(C)C ZINC000032627536 820979216 /nfs/dbraw/zinc/97/92/16/820979216.db2.gz CVLQAQSQBWJDMO-UHFFFAOYSA-N 1 2 393.447 4.268 20 5 GIBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000042510559 821309434 /nfs/dbraw/zinc/30/94/34/821309434.db2.gz MMDZNRKPRAAWRN-YWZLYKJASA-N 1 2 379.416 4.202 20 5 GIBDLO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000181234994 821710852 /nfs/dbraw/zinc/71/08/52/821710852.db2.gz FYQUEYXGRYDTGJ-KGLIPLIRSA-N 1 2 383.427 4.343 20 5 GIBDLO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c(Br)c1 ZINC000181695189 821947303 /nfs/dbraw/zinc/94/73/03/821947303.db2.gz AWZZUIHUFYVMOJ-NSHDSACASA-N 1 2 395.253 4.225 20 5 GIBDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182284144 822186704 /nfs/dbraw/zinc/18/67/04/822186704.db2.gz WKEVOVNXPYIQAN-UHFFFAOYSA-N 1 2 388.855 4.034 20 5 GIBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1C(F)(F)F ZINC000046510979 822479796 /nfs/dbraw/zinc/47/97/96/822479796.db2.gz QWINIMVQSOWTKL-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1C(F)(F)F ZINC000046510979 822479798 /nfs/dbraw/zinc/47/97/98/822479798.db2.gz QWINIMVQSOWTKL-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC(F)F)cc1 ZINC000179601873 822510710 /nfs/dbraw/zinc/51/07/10/822510710.db2.gz KPLCKKZBJDMTIV-NSHDSACASA-N 1 2 390.346 4.097 20 5 GIBDLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000179665116 822523029 /nfs/dbraw/zinc/52/30/29/822523029.db2.gz YYVQTWQPDLMVBB-CQSZACIVSA-N 1 2 382.420 4.283 20 5 GIBDLO Cn1cc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179848071 822565759 /nfs/dbraw/zinc/56/57/59/822565759.db2.gz QYBJJGUNIVFPEI-UHFFFAOYSA-N 1 2 387.443 4.035 20 5 GIBDLO Cn1cc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179848071 822565761 /nfs/dbraw/zinc/56/57/61/822565761.db2.gz QYBJJGUNIVFPEI-UHFFFAOYSA-N 1 2 387.443 4.035 20 5 GIBDLO COc1cc(C[N@H+](C)Cc2ccc(SC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000184257976 822604507 /nfs/dbraw/zinc/60/45/07/822604507.db2.gz COIJZQICZHZPLI-UHFFFAOYSA-N 1 2 380.441 4.105 20 5 GIBDLO COc1cc(C[N@@H+](C)Cc2ccc(SC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000184257976 822604509 /nfs/dbraw/zinc/60/45/09/822604509.db2.gz COIJZQICZHZPLI-UHFFFAOYSA-N 1 2 380.441 4.105 20 5 GIBDLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184468964 822641357 /nfs/dbraw/zinc/64/13/57/822641357.db2.gz CMCAKUICKNCGAU-RYUDHWBXSA-N 1 2 376.482 4.027 20 5 GIBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2c2cccnc12 ZINC000049766908 822708225 /nfs/dbraw/zinc/70/82/25/822708225.db2.gz TVPRZFKEKLEVDT-UHFFFAOYSA-N 1 2 382.467 4.182 20 5 GIBDLO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)n2)c1 ZINC000185129518 822740611 /nfs/dbraw/zinc/74/06/11/822740611.db2.gz RJYDZMNDNSQADK-KBPBESRZSA-N 1 2 382.420 4.374 20 5 GIBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000053113931 822822290 /nfs/dbraw/zinc/82/22/90/822822290.db2.gz XMPGRQQNCXDGNT-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000053113931 822822294 /nfs/dbraw/zinc/82/22/94/822822294.db2.gz XMPGRQQNCXDGNT-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000186224359 822862300 /nfs/dbraw/zinc/86/23/00/822862300.db2.gz DSUITIZEPSRPOL-JOCHJYFZSA-N 1 2 390.443 4.018 20 5 GIBDLO C[C@H]1C[C@@H]1CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000569513856 822932528 /nfs/dbraw/zinc/93/25/28/822932528.db2.gz SPRDZHWLYGABIZ-JKSUJKDBSA-N 1 2 399.516 4.014 20 5 GIBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000177936514 823548255 /nfs/dbraw/zinc/54/82/55/823548255.db2.gz PFUHOGLHGPJLOP-UHFFFAOYSA-N 1 2 375.498 4.087 20 5 GIBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000177936514 823548257 /nfs/dbraw/zinc/54/82/57/823548257.db2.gz PFUHOGLHGPJLOP-UHFFFAOYSA-N 1 2 375.498 4.087 20 5 GIBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411198723 823556598 /nfs/dbraw/zinc/55/65/98/823556598.db2.gz ZYDFKJGAYVEXQV-UHFFFAOYSA-N 1 2 386.839 4.308 20 5 GIBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411198723 823556601 /nfs/dbraw/zinc/55/66/01/823556601.db2.gz ZYDFKJGAYVEXQV-UHFFFAOYSA-N 1 2 386.839 4.308 20 5 GIBDLO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000461310016 823615313 /nfs/dbraw/zinc/61/53/13/823615313.db2.gz RJJWSBVNMLBURX-IFXJQAMLSA-N 1 2 394.406 4.143 20 5 GIBDLO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000461657397 823676211 /nfs/dbraw/zinc/67/62/11/823676211.db2.gz BPYOYHUGFSHHIR-UHFFFAOYSA-N 1 2 382.445 4.282 20 5 GIBDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000126169469 823804410 /nfs/dbraw/zinc/80/44/10/823804410.db2.gz LAHBWEFBCFXOFE-SFHVURJKSA-N 1 2 397.431 4.021 20 5 GIBDLO CCc1ccc([C@@H]2COCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000126169469 823804420 /nfs/dbraw/zinc/80/44/20/823804420.db2.gz LAHBWEFBCFXOFE-SFHVURJKSA-N 1 2 397.431 4.021 20 5 GIBDLO C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3c3[nH+]c4ccccc4n32)C1 ZINC000004246612 209119834 /nfs/dbraw/zinc/11/98/34/209119834.db2.gz BXMHJBDUVJBNKW-OAHLLOKOSA-N 1 2 390.512 4.386 20 5 GIBDLO O=C(CSc1nc2ccccc2c2[nH+]c3ccccc3n21)N1CCCCC1 ZINC000003507012 206249374 /nfs/dbraw/zinc/24/93/74/206249374.db2.gz GDGBDLSJQXACOZ-UHFFFAOYSA-N 1 2 376.485 4.140 20 5 GIBDLO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409729698 823292585 /nfs/dbraw/zinc/29/25/85/823292585.db2.gz FKELCBFHEDPBFL-UKRRQHHQSA-N 1 2 384.864 4.480 20 5 GIBDLO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409729698 823292593 /nfs/dbraw/zinc/29/25/93/823292593.db2.gz FKELCBFHEDPBFL-UKRRQHHQSA-N 1 2 384.864 4.480 20 5 GIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000008120248 818003478 /nfs/dbraw/zinc/00/34/78/818003478.db2.gz NXAGNUDWNPBJKS-UHFFFAOYSA-N 1 2 382.247 4.281 20 5 GIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000008120248 818003484 /nfs/dbraw/zinc/00/34/84/818003484.db2.gz NXAGNUDWNPBJKS-UHFFFAOYSA-N 1 2 382.247 4.281 20 5 GIBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000015143241 818295053 /nfs/dbraw/zinc/29/50/53/818295053.db2.gz MIJSOSJEWQSUPS-KRWDZBQOSA-N 1 2 395.381 4.099 20 5 GIBDLO COc1ccc(Cl)cc1CN1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000027426009 820243422 /nfs/dbraw/zinc/24/34/22/820243422.db2.gz VOSLFMOTEUWBJZ-OAHLLOKOSA-N 1 2 389.883 4.136 20 5 GIBDLO CCn1c2ccccc2[nH+]c1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000460663822 823470722 /nfs/dbraw/zinc/47/07/22/823470722.db2.gz MQDQJNSOWJIWAD-UHFFFAOYSA-N 1 2 379.445 4.122 20 5 GIBDLO COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031817365 820864739 /nfs/dbraw/zinc/86/47/39/820864739.db2.gz VIWXJJYCTDPMMO-UHFFFAOYSA-N 1 2 394.431 4.339 20 5 GIBDLO O=C(NCC1(c2ccccc2)CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032056168 820892318 /nfs/dbraw/zinc/89/23/18/820892318.db2.gz GLFDBXTULLPUHR-UHFFFAOYSA-N 1 2 390.443 4.022 20 5 GIBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000033220519 821050355 /nfs/dbraw/zinc/05/03/55/821050355.db2.gz HAQANCMCWSDWQS-CYBMUJFWSA-N 1 2 376.372 4.018 20 5 GIBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567770 821610255 /nfs/dbraw/zinc/61/02/55/821610255.db2.gz AGQWVDVUZONJOX-UHFFFAOYSA-N 1 2 392.415 4.056 20 5 GIBDLO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000181235015 821711739 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RDUAPKSVJFHXRU-UHFFFAOYSA-N 1 2 380.429 4.492 20 5 GIBDLO C[N@H+](Cc1csc2ccccc12)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046089551 822440523 /nfs/dbraw/zinc/44/05/23/822440523.db2.gz RDUAPKSVJFHXRU-UHFFFAOYSA-N 1 2 380.429 4.492 20 5 GIBDLO COc1ccc(OCc2ccccn2)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179315232 822465087 /nfs/dbraw/zinc/46/50/87/822465087.db2.gz XMUFTJSDOYPPSO-UHFFFAOYSA-N 1 2 393.443 4.209 20 5 GIBDLO COc1ccc(OCc2ccccn2)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179315232 822465091 /nfs/dbraw/zinc/46/50/91/822465091.db2.gz XMUFTJSDOYPPSO-UHFFFAOYSA-N 1 2 393.443 4.209 20 5 GIBDLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183454787 822477513 /nfs/dbraw/zinc/47/75/13/822477513.db2.gz CXTZUBLKZVVGRY-NSHDSACASA-N 1 2 388.786 4.315 20 5 GIBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000046644618 822497270 /nfs/dbraw/zinc/49/72/70/822497270.db2.gz ZNBGYMYZXZIIDY-AWEZNQCLSA-N 1 2 382.395 4.143 20 5 GIBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OC(F)F)cc1 ZINC000179612057 822512659 /nfs/dbraw/zinc/51/26/59/822512659.db2.gz JDOMPHLSFQYEOM-NSHDSACASA-N 1 2 390.346 4.097 20 5 GIBDLO O=C(Nc1ncc(-c2ccccc2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047543116 822588892 /nfs/dbraw/zinc/58/88/92/822588892.db2.gz IXMGCUFFOLMAMN-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184881968 822706423 /nfs/dbraw/zinc/70/64/23/822706423.db2.gz CPLTVDZMVAGTOC-CABCVRRESA-N 1 2 394.431 4.236 20 5 GIBDLO COc1cccc(-c2noc([C@H](C)[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)n2)c1 ZINC000185129499 822740646 /nfs/dbraw/zinc/74/06/46/822740646.db2.gz RJYDZMNDNSQADK-KGLIPLIRSA-N 1 2 382.420 4.374 20 5 GIBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000456160302 822785310 /nfs/dbraw/zinc/78/53/10/822785310.db2.gz HNKNUSWLERYOAM-ZDUSSCGKSA-N 1 2 385.468 4.005 20 5 GIBDLO 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ZINC000414558098 824011821 /nfs/dbraw/zinc/01/18/21/824011821.db2.gz RBKVESMUWMCHPL-UHFFFAOYSA-N 1 2 395.488 4.381 20 5 GIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nccc(C(F)F)n3)s2)cc1 ZINC000571242002 823154118 /nfs/dbraw/zinc/15/41/18/823154118.db2.gz ZMLSSQDSOSLRQX-UHFFFAOYSA-N 1 2 376.388 4.341 20 5 GIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000572320203 823319557 /nfs/dbraw/zinc/31/95/57/823319557.db2.gz UYPZXAWQMHQWCO-AWEZNQCLSA-N 1 2 394.431 4.379 20 5 GIBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000572320203 823319562 /nfs/dbraw/zinc/31/95/62/823319562.db2.gz UYPZXAWQMHQWCO-AWEZNQCLSA-N 1 2 394.431 4.379 20 5 GIBDLO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015079654 818288483 /nfs/dbraw/zinc/28/84/83/818288483.db2.gz QQEIRDIQTPRJLY-UHFFFAOYSA-N 1 2 376.294 4.052 20 5 GIBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000016632382 818461296 /nfs/dbraw/zinc/46/12/96/818461296.db2.gz KCLULVSVRVEYIC-NSHDSACASA-N 1 2 382.247 4.361 20 5 GIBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000016632382 818461297 /nfs/dbraw/zinc/46/12/97/818461297.db2.gz KCLULVSVRVEYIC-NSHDSACASA-N 1 2 382.247 4.361 20 5 GIBDLO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000058072893 823359695 /nfs/dbraw/zinc/35/96/95/823359695.db2.gz STXXONQSMBUHIA-SFHVURJKSA-N 1 2 383.448 4.078 20 5 GIBDLO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000058072893 823359703 /nfs/dbraw/zinc/35/97/03/823359703.db2.gz STXXONQSMBUHIA-SFHVURJKSA-N 1 2 383.448 4.078 20 5 GIBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023666995 818971740 /nfs/dbraw/zinc/97/17/40/818971740.db2.gz NNTGVIAWAFPSFP-JTQLQIEISA-N 1 2 383.782 4.158 20 5 GIBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023666995 818971745 /nfs/dbraw/zinc/97/17/45/818971745.db2.gz 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COc1cc(C[N@@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000027109082 820195313 /nfs/dbraw/zinc/19/53/13/820195313.db2.gz VOHTYTCJCZNWEP-UHFFFAOYSA-N 1 2 384.404 4.431 20 5 GIBDLO CCCCn1c(SCc2csc([N+](=O)[O-])c2)nnc1[C@H](CC)[NH+](C)C ZINC000123153328 823471101 /nfs/dbraw/zinc/47/11/01/823471101.db2.gz JMAHXJDOWRSFLF-ZDUSSCGKSA-N 1 2 383.543 4.353 20 5 GIBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030587536 820646474 /nfs/dbraw/zinc/64/64/74/820646474.db2.gz UNHDCSCULLVUKD-UHFFFAOYSA-N 1 2 376.338 4.471 20 5 GIBDLO CC(C)C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000032636815 820981795 /nfs/dbraw/zinc/98/17/95/820981795.db2.gz GKRORRBYOIRWBC-SFHVURJKSA-N 1 2 378.432 4.298 20 5 GIBDLO CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000033226435 821051142 /nfs/dbraw/zinc/05/11/42/821051142.db2.gz BPZPOUWJRMOFQL-UHFFFAOYSA-N 1 2 380.404 4.036 20 5 GIBDLO CSc1c(F)cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000181678107 821939951 /nfs/dbraw/zinc/93/99/51/821939951.db2.gz PVMVAQHTXGXZKF-UHFFFAOYSA-N 1 2 390.371 4.033 20 5 GIBDLO COc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)ccc1C ZINC000181820816 822006080 /nfs/dbraw/zinc/00/60/80/822006080.db2.gz GBZGCQBZAYACGB-CQSZACIVSA-N 1 2 382.420 4.121 20 5 GIBDLO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000178002962 822277858 /nfs/dbraw/zinc/27/78/58/822277858.db2.gz FWSFEOCSXQGWQN-UHFFFAOYSA-N 1 2 388.851 4.352 20 5 GIBDLO CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000045237543 822372212 /nfs/dbraw/zinc/37/22/12/822372212.db2.gz FUZAAFWEHMUMCF-HNNXBMFYSA-N 1 2 394.431 4.059 20 5 GIBDLO O=C(Nc1cccnc1-c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178851950 822416363 /nfs/dbraw/zinc/41/63/63/822416363.db2.gz ZOZNAOQKPCJAIH-UHFFFAOYSA-N 1 2 385.383 4.095 20 5 GIBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OC(F)F)cc1 ZINC000179612067 822512620 /nfs/dbraw/zinc/51/26/20/822512620.db2.gz JDOMPHLSFQYEOM-LLVKDONJSA-N 1 2 390.346 4.097 20 5 GIBDLO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C(C)(C)C)cs1 ZINC000184451130 822637449 /nfs/dbraw/zinc/63/74/49/822637449.db2.gz YPPQOFKYGYGTHN-JTQLQIEISA-N 1 2 396.900 4.292 20 5 GIBDLO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184461350 822639602 /nfs/dbraw/zinc/63/96/02/822639602.db2.gz SNNJMFYMDPKDTB-VXGBXAGGSA-N 1 2 376.482 4.027 20 5 GIBDLO COc1cc(C[N@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000052218426 822793458 /nfs/dbraw/zinc/79/34/58/822793458.db2.gz KHGOZRDCTSMMFH-UHFFFAOYSA-N 1 2 381.379 4.010 20 5 GIBDLO COc1cc(C[N@@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000052218426 822793460 /nfs/dbraw/zinc/79/34/60/822793460.db2.gz KHGOZRDCTSMMFH-UHFFFAOYSA-N 1 2 381.379 4.010 20 5 GIBDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187282796 823036424 /nfs/dbraw/zinc/03/64/24/823036424.db2.gz GDKVQTVFGXKHPE-CYBMUJFWSA-N 1 2 396.896 4.201 20 5 GIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000063559726 823679472 /nfs/dbraw/zinc/67/94/72/823679472.db2.gz QLHNFWRGSDUPSH-INIZCTEOSA-N 1 2 387.867 4.202 20 5 GIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000063559726 823679473 /nfs/dbraw/zinc/67/94/73/823679473.db2.gz QLHNFWRGSDUPSH-INIZCTEOSA-N 1 2 387.867 4.202 20 5 GIBDLO Cc1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461765572 823693091 /nfs/dbraw/zinc/69/30/91/823693091.db2.gz FPNZKNJCBWRJJO-ZDUSSCGKSA-N 1 2 380.370 4.255 20 5 GIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nccs3)o2)c(Br)c1 ZINC000171050351 824047687 /nfs/dbraw/zinc/04/76/87/824047687.db2.gz KRBREGFXIURIPB-UHFFFAOYSA-N 1 2 394.250 4.364 20 5 GIBDLO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000121747423 823242311 /nfs/dbraw/zinc/24/23/11/823242311.db2.gz LJVBLSFWPBMIGD-WMZOPIPTSA-N 1 2 390.443 4.107 20 5 GIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(F)c1 ZINC000459664823 823245398 /nfs/dbraw/zinc/24/53/98/823245398.db2.gz QGRXLCXPNFIDFI-HNNXBMFYSA-N 1 2 394.340 4.054 20 5 GIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(F)c1 ZINC000459664823 823245401 /nfs/dbraw/zinc/24/54/01/823245401.db2.gz QGRXLCXPNFIDFI-HNNXBMFYSA-N 1 2 394.340 4.054 20 5 GIBDLO Cc1cc(Nc2ncnc3sc([N+](=O)[O-])cc32)c[nH+]c1N1CCCC[C@H]1C ZINC000572146495 823290198 /nfs/dbraw/zinc/29/01/98/823290198.db2.gz XDCSDRNFSDYLAY-GFCCVEGCSA-N 1 2 384.465 4.425 20 5 GIBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000015143242 818294819 /nfs/dbraw/zinc/29/48/19/818294819.db2.gz MIJSOSJEWQSUPS-QGZVFWFLSA-N 1 2 395.381 4.099 20 5 GIBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410277797 823445785 /nfs/dbraw/zinc/44/57/85/823445785.db2.gz BSMABSAOZDJIJW-KRWDZBQOSA-N 1 2 396.491 4.073 20 5 GIBDLO COc1cc(C[N@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000027352409 820229347 /nfs/dbraw/zinc/22/93/47/820229347.db2.gz GDBLRLHNYAUKRL-UHFFFAOYSA-N 1 2 386.782 4.490 20 5 GIBDLO COc1cc(C[N@@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000027352409 820229355 /nfs/dbraw/zinc/22/93/55/820229355.db2.gz GDBLRLHNYAUKRL-UHFFFAOYSA-N 1 2 386.782 4.490 20 5 GIBDLO C[C@H](c1nnc(Sc2ccccc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000029001435 820382396 /nfs/dbraw/zinc/38/23/96/820382396.db2.gz MWIVOAJVYPOFGA-GFCCVEGCSA-N 1 2 387.440 4.088 20 5 GIBDLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000060445313 823528616 /nfs/dbraw/zinc/52/86/16/823528616.db2.gz YLRRMYHWFRXJPT-UHFFFAOYSA-N 1 2 398.850 4.150 20 5 GIBDLO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000180696621 821400229 /nfs/dbraw/zinc/40/02/29/821400229.db2.gz PGYFYGAYYUXGRP-UONOGXRCSA-N 1 2 382.420 4.455 20 5 GIBDLO CC(C)[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1F ZINC000181635815 821915876 /nfs/dbraw/zinc/91/58/76/821915876.db2.gz MRBVDZMXBQOGRU-SFHVURJKSA-N 1 2 388.374 4.410 20 5 GIBDLO CCOc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000181812290 822003154 /nfs/dbraw/zinc/00/31/54/822003154.db2.gz RZEXYCGNOHZQPE-CQSZACIVSA-N 1 2 382.420 4.203 20 5 GIBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000182538267 822290511 /nfs/dbraw/zinc/29/05/11/822290511.db2.gz SVXGSDXVHYSZIM-OLZOCXBDSA-N 1 2 395.419 4.015 20 5 GIBDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000178207074 822352760 /nfs/dbraw/zinc/35/27/60/822352760.db2.gz UNCZVWMLZDFIKM-CYBMUJFWSA-N 1 2 382.445 4.008 20 5 GIBDLO Cc1c(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000051536429 822764993 /nfs/dbraw/zinc/76/49/93/822764993.db2.gz IFBLNKKRCZXRHA-UHFFFAOYSA-N 1 2 382.247 4.281 20 5 GIBDLO Cc1c(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000051536429 822764997 /nfs/dbraw/zinc/76/49/97/822764997.db2.gz IFBLNKKRCZXRHA-UHFFFAOYSA-N 1 2 382.247 4.281 20 5 GIBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000052047913 822789049 /nfs/dbraw/zinc/78/90/49/822789049.db2.gz WELRHDRUKQZJMD-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000052047913 822789050 /nfs/dbraw/zinc/78/90/50/822789050.db2.gz WELRHDRUKQZJMD-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1C(F)(F)F ZINC000052508129 822802086 /nfs/dbraw/zinc/80/20/86/822802086.db2.gz RPWBXHCVAVXZCC-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1C(F)(F)F ZINC000052508129 822802089 /nfs/dbraw/zinc/80/20/89/822802089.db2.gz RPWBXHCVAVXZCC-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO CC(C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Cl)c1F ZINC000185848675 822827104 /nfs/dbraw/zinc/82/71/04/822827104.db2.gz LUYLVINAKMNBFK-UHFFFAOYSA-N 1 2 380.803 4.279 20 5 GIBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)C1 ZINC000054277892 822872583 /nfs/dbraw/zinc/87/25/83/822872583.db2.gz ALBPACQDQGIRBN-GFCCVEGCSA-N 1 2 399.476 4.017 20 5 GIBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)C1 ZINC000054277892 822872587 /nfs/dbraw/zinc/87/25/87/822872587.db2.gz ALBPACQDQGIRBN-GFCCVEGCSA-N 1 2 399.476 4.017 20 5 GIBDLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])n2)cc1F ZINC000570463002 823041252 /nfs/dbraw/zinc/04/12/52/823041252.db2.gz OCOWQDZMAMSMRH-SJKOYZFVSA-N 1 2 382.395 4.430 20 5 GIBDLO O=C(Nc1cc(-c2ccccc2)ns1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000124993817 823643500 /nfs/dbraw/zinc/64/35/00/823643500.db2.gz FRYWPIPGZLKLJB-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000056000437 823076915 /nfs/dbraw/zinc/07/69/15/823076915.db2.gz MPNIJYSQUVLLNX-SFHVURJKSA-N 1 2 376.416 4.066 20 5 GIBDLO CSc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1[N+](=O)[O-] ZINC000188030153 823174358 /nfs/dbraw/zinc/17/43/58/823174358.db2.gz JPDBSRWMBIKENJ-UHFFFAOYSA-N 1 2 392.506 4.011 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccco1)c1ccccc1 ZINC000057659936 823319532 /nfs/dbraw/zinc/31/95/32/823319532.db2.gz UZUYJZVBFNBVDK-UHFFFAOYSA-N 1 2 388.383 4.221 20 5 GIBDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000025414690 819977159 /nfs/dbraw/zinc/97/71/59/819977159.db2.gz OKFXAYXILGJKHX-KRWDZBQOSA-N 1 2 389.839 4.032 20 5 GIBDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000025414690 819977161 /nfs/dbraw/zinc/97/71/61/819977161.db2.gz OKFXAYXILGJKHX-KRWDZBQOSA-N 1 2 389.839 4.032 20 5 GIBDLO CCC[C@@]1(C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000410581140 823505392 /nfs/dbraw/zinc/50/53/92/823505392.db2.gz MEHPJTAKUFKXMS-KRWDZBQOSA-N 1 2 396.369 4.118 20 5 GIBDLO O=C(Nc1cccc(OC2CCCC2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032638755 820982403 /nfs/dbraw/zinc/98/24/03/820982403.db2.gz MNYXGQPHBBCHJP-UHFFFAOYSA-N 1 2 392.415 4.354 20 5 GIBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000043997838 821499802 /nfs/dbraw/zinc/49/98/02/821499802.db2.gz UMAVFDLNBDICNI-UHFFFAOYSA-N 1 2 376.338 4.471 20 5 GIBDLO COc1cc(C[NH2+][C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1OC(F)F ZINC000181997866 822057968 /nfs/dbraw/zinc/05/79/68/822057968.db2.gz LLVTZSVXJZAGOD-SECBINFHSA-N 1 2 388.317 4.334 20 5 GIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000182078224 822084264 /nfs/dbraw/zinc/08/42/64/822084264.db2.gz SYPOEPKWRRLKLN-UHFFFAOYSA-N 1 2 396.472 4.211 20 5 GIBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000178375993 822372776 /nfs/dbraw/zinc/37/27/76/822372776.db2.gz JREDCIKEULDZFC-UHFFFAOYSA-N 1 2 398.466 4.180 20 5 GIBDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1C ZINC000183231618 822444836 /nfs/dbraw/zinc/44/48/36/822444836.db2.gz FCQDJIHTUQLTLM-UHFFFAOYSA-N 1 2 395.381 4.383 20 5 GIBDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1C ZINC000183231618 822444838 /nfs/dbraw/zinc/44/48/38/822444838.db2.gz FCQDJIHTUQLTLM-UHFFFAOYSA-N 1 2 395.381 4.383 20 5 GIBDLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000179530908 822497958 /nfs/dbraw/zinc/49/79/58/822497958.db2.gz BZCVJMXCAVMNCT-CQSZACIVSA-N 1 2 382.420 4.283 20 5 GIBDLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179734752 822538216 /nfs/dbraw/zinc/53/82/16/822538216.db2.gz BKJMWZWIUHVHKJ-QGZVFWFLSA-N 1 2 382.420 4.284 20 5 GIBDLO C[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1cccc([N+](=O)[O-])c1 ZINC000183988267 822558688 /nfs/dbraw/zinc/55/86/88/822558688.db2.gz CLNVPLIMLWRABN-LBPRGKRZSA-N 1 2 384.461 4.436 20 5 GIBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000184226844 822599443 /nfs/dbraw/zinc/59/94/43/822599443.db2.gz IBKWJCWHLXKHQW-INIZCTEOSA-N 1 2 390.411 4.097 20 5 GIBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)c([N+](=O)[O-])cc1F ZINC000184226844 822599447 /nfs/dbraw/zinc/59/94/47/822599447.db2.gz IBKWJCWHLXKHQW-INIZCTEOSA-N 1 2 390.411 4.097 20 5 GIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050310194 822724583 /nfs/dbraw/zinc/72/45/83/822724583.db2.gz VKMLUFXSGHOWOQ-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050561737 822733654 /nfs/dbraw/zinc/73/36/54/822733654.db2.gz OGGQVJDOXFFMPM-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000190421460 823571496 /nfs/dbraw/zinc/57/14/96/823571496.db2.gz SPPVSJNALOFYMU-JTQLQIEISA-N 1 2 383.217 4.356 20 5 GIBDLO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000412007758 823622048 /nfs/dbraw/zinc/62/20/48/823622048.db2.gz DRYSYWBTTQQEEO-HXUWFJFHSA-N 1 2 386.423 4.096 20 5 GIBDLO COc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000412007758 823622049 /nfs/dbraw/zinc/62/20/49/823622049.db2.gz DRYSYWBTTQQEEO-HXUWFJFHSA-N 1 2 386.423 4.096 20 5 GIBDLO O=C(C[NH+]1CCC(OC2CCCCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000125572989 823686496 /nfs/dbraw/zinc/68/64/96/823686496.db2.gz ZYZHCWNXEVJBAD-UHFFFAOYSA-N 1 2 395.887 4.000 20 5 GIBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000571244958 823154680 /nfs/dbraw/zinc/15/46/80/823154680.db2.gz GSLNJEQTUTYFEN-KRWDZBQOSA-N 1 2 386.839 4.340 20 5 GIBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000571244958 823154682 /nfs/dbraw/zinc/15/46/82/823154682.db2.gz GSLNJEQTUTYFEN-KRWDZBQOSA-N 1 2 386.839 4.340 20 5 GIBDLO O=C(Nc1cccc(NC2CCCC2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000409566321 823250496 /nfs/dbraw/zinc/25/04/96/823250496.db2.gz WWDBCJDTBQVNOV-UHFFFAOYSA-N 1 2 391.431 4.387 20 5 GIBDLO Cc1ccc(Sc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2[N+](=O)[O-])cc1 ZINC000021325893 818675889 /nfs/dbraw/zinc/67/58/89/818675889.db2.gz UFSQXRHCSYELTM-UHFFFAOYSA-N 1 2 396.472 4.071 20 5 GIBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177170820 823390213 /nfs/dbraw/zinc/39/02/13/823390213.db2.gz PBEGTIFPMFYSEC-UHFFFAOYSA-N 1 2 380.379 4.186 20 5 GIBDLO Cc1c(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cccc1[N+](=O)[O-] ZINC000178591113 822394528 /nfs/dbraw/zinc/39/45/28/822394528.db2.gz BHKAAFIWDAGLRD-UHFFFAOYSA-N 1 2 390.443 4.284 20 5 GIBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(OC(F)F)c1 ZINC000179576644 822506199 /nfs/dbraw/zinc/50/61/99/822506199.db2.gz ZMGRCCBHBAFSNB-NSHDSACASA-N 1 2 390.346 4.097 20 5 GIBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174473827 822794841 /nfs/dbraw/zinc/79/48/41/822794841.db2.gz AKSVHGAHTJGZHY-UHFFFAOYSA-N 1 2 397.479 4.069 20 5 GIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)C1 ZINC000054277893 822872711 /nfs/dbraw/zinc/87/27/11/822872711.db2.gz ALBPACQDQGIRBN-LBPRGKRZSA-N 1 2 399.476 4.017 20 5 GIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)C1 ZINC000054277893 822872713 /nfs/dbraw/zinc/87/27/13/822872713.db2.gz ALBPACQDQGIRBN-LBPRGKRZSA-N 1 2 399.476 4.017 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000055484411 822968980 /nfs/dbraw/zinc/96/89/80/822968980.db2.gz XXCOTZYGPOJPHT-LJQANCHMSA-N 1 2 390.443 4.018 20 5 GIBDLO Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055779756 823043280 /nfs/dbraw/zinc/04/32/80/823043280.db2.gz OGBAWDNJHFWWEC-GOSISDBHSA-N 1 2 376.416 4.066 20 5 GIBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1C(F)(F)F ZINC000190208200 823551087 /nfs/dbraw/zinc/55/10/87/823551087.db2.gz KYUMDUCAXNOQJL-CYBMUJFWSA-N 1 2 384.358 4.055 20 5 GIBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1C(F)(F)F ZINC000190208200 823551089 /nfs/dbraw/zinc/55/10/89/823551089.db2.gz KYUMDUCAXNOQJL-CYBMUJFWSA-N 1 2 384.358 4.055 20 5 GIBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000191363282 823676813 /nfs/dbraw/zinc/67/68/13/823676813.db2.gz XUSTZVWFKKVFFH-HNNXBMFYSA-N 1 2 388.493 4.184 20 5 GIBDLO CC(C)c1cccc2c1CC[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000191892729 823805673 /nfs/dbraw/zinc/80/56/73/823805673.db2.gz FTNYZOPIRXNRDS-UHFFFAOYSA-N 1 2 378.432 4.327 20 5 GIBDLO CC(C)c1cccc2c1CC[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000191892729 823805682 /nfs/dbraw/zinc/80/56/82/823805682.db2.gz FTNYZOPIRXNRDS-UHFFFAOYSA-N 1 2 378.432 4.327 20 5 GIBDLO Cc1ccc(C)c(OC2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000064632133 823855187 /nfs/dbraw/zinc/85/51/87/823855187.db2.gz VUAQATCSLCGXLN-UHFFFAOYSA-N 1 2 397.475 4.002 20 5 GIBDLO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000192354290 823957195 /nfs/dbraw/zinc/95/71/95/823957195.db2.gz FMDNSKGTOWYNMT-SJCJKPOMSA-N 1 2 380.404 4.079 20 5 GIBDLO C[C@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000187419446 823060146 /nfs/dbraw/zinc/06/01/46/823060146.db2.gz PAFBJLMICOYGJY-JTQLQIEISA-N 1 2 375.226 4.084 20 5 GIBDLO O=[N+]([O-])c1ccc(-c2ccc(CNc3ccccc3C[NH+]3CCOCC3)o2)cc1 ZINC000120959120 823093423 /nfs/dbraw/zinc/09/34/23/823093423.db2.gz ARWDGMPYDMVIHK-UHFFFAOYSA-N 1 2 393.443 4.299 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121186668 823134657 /nfs/dbraw/zinc/13/46/57/823134657.db2.gz BJUYGNGSHSMIOW-CQSZACIVSA-N 1 2 390.509 4.139 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121186668 823134662 /nfs/dbraw/zinc/13/46/62/823134662.db2.gz BJUYGNGSHSMIOW-CQSZACIVSA-N 1 2 390.509 4.139 20 5 GIBDLO CSc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1[N+](=O)[O-] ZINC000014524238 818249252 /nfs/dbraw/zinc/24/92/52/818249252.db2.gz LWCLYBINLXZDCM-UHFFFAOYSA-N 1 2 392.506 4.011 20 5 GIBDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000015300765 818309790 /nfs/dbraw/zinc/30/97/90/818309790.db2.gz JUQQGHZRTSBXJF-UHFFFAOYSA-N 1 2 381.354 4.074 20 5 GIBDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000015300765 818309796 /nfs/dbraw/zinc/30/97/96/818309796.db2.gz JUQQGHZRTSBXJF-UHFFFAOYSA-N 1 2 381.354 4.074 20 5 GIBDLO O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000016004531 818383916 /nfs/dbraw/zinc/38/39/16/818383916.db2.gz ZCGCUZHKUBLZAS-UHFFFAOYSA-N 1 2 399.819 4.296 20 5 GIBDLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177020215 823350901 /nfs/dbraw/zinc/35/09/01/823350901.db2.gz XQGKGFBXUFXIJL-UHFFFAOYSA-N 1 2 399.834 4.484 20 5 GIBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000029530057 820468996 /nfs/dbraw/zinc/46/89/96/820468996.db2.gz HBWVCBZGONLILS-ZDUSSCGKSA-N 1 2 390.827 4.040 20 5 GIBDLO O=C(Nc1ccc2ccc(Cl)cc2n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000410399182 823486877 /nfs/dbraw/zinc/48/68/77/823486877.db2.gz NJJUNQHBHJQSHH-UHFFFAOYSA-N 1 2 393.790 4.234 20 5 GIBDLO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031809522 820863678 /nfs/dbraw/zinc/86/36/78/820863678.db2.gz KDFBLHMLPNXHLM-UHFFFAOYSA-N 1 2 377.187 4.340 20 5 GIBDLO Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032157938 820899985 /nfs/dbraw/zinc/89/99/85/820899985.db2.gz MWFWCPXXSOPZBH-SFHVURJKSA-N 1 2 376.416 4.066 20 5 GIBDLO CCN(Cc1ccccc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045396303 822383500 /nfs/dbraw/zinc/38/35/00/822383500.db2.gz FQFVFYWMNFYZJD-UHFFFAOYSA-N 1 2 384.823 4.096 20 5 GIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000178728985 822405949 /nfs/dbraw/zinc/40/59/49/822405949.db2.gz IGPJYKZHJDUJJO-SNVBAGLBSA-N 1 2 383.217 4.356 20 5 GIBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(OC(F)F)c1 ZINC000179592375 822508915 /nfs/dbraw/zinc/50/89/15/822508915.db2.gz SMMCTLVGQPWNOT-LLVKDONJSA-N 1 2 390.346 4.097 20 5 GIBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-])CCC2 ZINC000184265844 822605714 /nfs/dbraw/zinc/60/57/14/822605714.db2.gz FZAUQNBOLLLISW-AWEZNQCLSA-N 1 2 379.457 4.271 20 5 GIBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-])CCC2 ZINC000184265844 822605716 /nfs/dbraw/zinc/60/57/16/822605716.db2.gz FZAUQNBOLLLISW-AWEZNQCLSA-N 1 2 379.457 4.271 20 5 GIBDLO C[C@@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180425805 822679759 /nfs/dbraw/zinc/67/97/59/822679759.db2.gz HXBJHXWNCLTVMP-CQSZACIVSA-N 1 2 396.472 4.083 20 5 GIBDLO CSc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1[N+](=O)[O-] ZINC000186345869 822879190 /nfs/dbraw/zinc/87/91/90/822879190.db2.gz NRDAHYMXKPYLKR-UHFFFAOYSA-N 1 2 388.836 4.408 20 5 GIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1[N+](=O)[O-] ZINC000186465624 822899791 /nfs/dbraw/zinc/89/97/91/822899791.db2.gz PDOBHHFWTLQGEJ-CYBMUJFWSA-N 1 2 385.855 4.203 20 5 GIBDLO O=[N+]([O-])c1cc(CN(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cs1 ZINC000569410883 822918641 /nfs/dbraw/zinc/91/86/41/822918641.db2.gz MQQAVIYBSCUPGF-UHFFFAOYSA-N 1 2 376.869 4.209 20 5 GIBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000186820763 822960992 /nfs/dbraw/zinc/96/09/92/822960992.db2.gz WAWCBAPKNMJGDN-CYBMUJFWSA-N 1 2 377.441 4.147 20 5 GIBDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C(F)(F)F ZINC000190170452 823545691 /nfs/dbraw/zinc/54/56/91/823545691.db2.gz QXVYJMGUTIHERR-CYBMUJFWSA-N 1 2 384.358 4.055 20 5 GIBDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C(F)(F)F ZINC000190170452 823545692 /nfs/dbraw/zinc/54/56/92/823545692.db2.gz QXVYJMGUTIHERR-CYBMUJFWSA-N 1 2 384.358 4.055 20 5 GIBDLO Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461938293 823765763 /nfs/dbraw/zinc/76/57/63/823765763.db2.gz SVGXVIWVILRHBA-UHFFFAOYSA-N 1 2 380.423 4.044 20 5 GIBDLO Cc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461965417 823774730 /nfs/dbraw/zinc/77/47/30/823774730.db2.gz MVAHYJSVWLPTIQ-UHFFFAOYSA-N 1 2 382.386 4.342 20 5 GIBDLO COc1ccc([C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000192642626 824054206 /nfs/dbraw/zinc/05/42/06/824054206.db2.gz AVXVZZPOQUZLRR-SFTDATJTSA-N 1 2 392.459 4.094 20 5 GIBDLO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409729696 823292741 /nfs/dbraw/zinc/29/27/41/823292741.db2.gz FKELCBFHEDPBFL-DZGCQCFKSA-N 1 2 384.864 4.480 20 5 GIBDLO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409729696 823292744 /nfs/dbraw/zinc/29/27/44/823292744.db2.gz FKELCBFHEDPBFL-DZGCQCFKSA-N 1 2 384.864 4.480 20 5 GIBDLO CC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000011174407 818059075 /nfs/dbraw/zinc/05/90/75/818059075.db2.gz IDFNAOWMECQZQE-UHFFFAOYSA-N 1 2 387.867 4.163 20 5 GIBDLO CC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000011174407 818059083 /nfs/dbraw/zinc/05/90/83/818059083.db2.gz IDFNAOWMECQZQE-UHFFFAOYSA-N 1 2 387.867 4.163 20 5 GIBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(Cl)s1 ZINC000018936166 818581221 /nfs/dbraw/zinc/58/12/21/818581221.db2.gz YVVAEWCABIXZPA-UHFFFAOYSA-N 1 2 388.276 4.424 20 5 GIBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(Cl)s1 ZINC000018936166 818581228 /nfs/dbraw/zinc/58/12/28/818581228.db2.gz YVVAEWCABIXZPA-UHFFFAOYSA-N 1 2 388.276 4.424 20 5 GIBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410277798 823445725 /nfs/dbraw/zinc/44/57/25/823445725.db2.gz BSMABSAOZDJIJW-QGZVFWFLSA-N 1 2 396.491 4.073 20 5 GIBDLO COc1cc(C[N@@H+]2CCc3sccc3[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000027371921 820233107 /nfs/dbraw/zinc/23/31/07/820233107.db2.gz CLXKEHUCNXJABM-JTQLQIEISA-N 1 2 384.404 4.386 20 5 GIBDLO COc1cc(C[N@H+]2CCc3sccc3[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000027371921 820233114 /nfs/dbraw/zinc/23/31/14/820233114.db2.gz CLXKEHUCNXJABM-JTQLQIEISA-N 1 2 384.404 4.386 20 5 GIBDLO O=C(Nc1ccccc1N1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031815598 820864560 /nfs/dbraw/zinc/86/45/60/820864560.db2.gz ZKKIHMFIGBCXFX-UHFFFAOYSA-N 1 2 391.431 4.023 20 5 GIBDLO CC(C)c1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032152547 820899316 /nfs/dbraw/zinc/89/93/16/820899316.db2.gz LKHJJOGOPNFWGY-UHFFFAOYSA-N 1 2 378.432 4.176 20 5 GIBDLO O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033245911 821054635 /nfs/dbraw/zinc/05/46/35/821054635.db2.gz NIOOLCCGVBFDCS-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)ccc1C ZINC000181820836 822006180 /nfs/dbraw/zinc/00/61/80/822006180.db2.gz GBZGCQBZAYACGB-AWEZNQCLSA-N 1 2 382.420 4.121 20 5 GIBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(N2CCCC2)c1 ZINC000181882045 822025176 /nfs/dbraw/zinc/02/51/76/822025176.db2.gz YIOYUUHEHXECND-HNNXBMFYSA-N 1 2 393.447 4.096 20 5 GIBDLO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000182428246 822240136 /nfs/dbraw/zinc/24/01/36/822240136.db2.gz AHSJYMCAFXOTFV-NSHDSACASA-N 1 2 392.246 4.333 20 5 GIBDLO CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000045237541 822372178 /nfs/dbraw/zinc/37/21/78/822372178.db2.gz FUZAAFWEHMUMCF-OAHLLOKOSA-N 1 2 394.431 4.059 20 5 GIBDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc1OC ZINC000183476970 822481703 /nfs/dbraw/zinc/48/17/03/822481703.db2.gz UBBCUKJYDCKYKO-CYBMUJFWSA-N 1 2 392.427 4.389 20 5 GIBDLO COc1cc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000183557859 822494415 /nfs/dbraw/zinc/49/44/15/822494415.db2.gz XXOWDBIKMMBUFX-HNNXBMFYSA-N 1 2 399.419 4.211 20 5 GIBDLO C[C@H]([NH2+]Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1cccc([N+](=O)[O-])c1 ZINC000180412161 822677537 /nfs/dbraw/zinc/67/75/37/822677537.db2.gz LAJOBPHDHQPVRX-NEPJUHHUSA-N 1 2 397.504 4.157 20 5 GIBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000456160299 822785368 /nfs/dbraw/zinc/78/53/68/822785368.db2.gz HNKNUSWLERYOAM-CYBMUJFWSA-N 1 2 385.468 4.005 20 5 GIBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000456160299 822785370 /nfs/dbraw/zinc/78/53/70/822785370.db2.gz HNKNUSWLERYOAM-CYBMUJFWSA-N 1 2 385.468 4.005 20 5 GIBDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000185616091 822802635 /nfs/dbraw/zinc/80/26/35/822802635.db2.gz UOAKSXQZOQZMOV-HNNXBMFYSA-N 1 2 398.488 4.190 20 5 GIBDLO C[C@H]1C[C@H]1CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000569513854 822932642 /nfs/dbraw/zinc/93/26/42/822932642.db2.gz SPRDZHWLYGABIZ-HOTGVXAUSA-N 1 2 399.516 4.014 20 5 GIBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458081518 822956300 /nfs/dbraw/zinc/95/63/00/822956300.db2.gz HPCXBBNXZHQQSP-OALUTQOASA-N 1 2 390.443 4.189 20 5 GIBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000124037634 823561936 /nfs/dbraw/zinc/56/19/36/823561936.db2.gz BIABUGKTNCOQEM-ZDUSSCGKSA-N 1 2 384.461 4.363 20 5 GIBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc3sc4c(c3c(N)n2)CCCC4)cc1[N+](=O)[O-] ZINC000411472732 823578859 /nfs/dbraw/zinc/57/88/59/823578859.db2.gz IAVAYCZRWJQMEK-LBPRGKRZSA-N 1 2 397.504 4.220 20 5 GIBDLO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000461310015 823615238 /nfs/dbraw/zinc/61/52/38/823615238.db2.gz RJJWSBVNMLBURX-AUUYWEPGSA-N 1 2 394.406 4.143 20 5 GIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCOc4c(F)cccc43)cs2)c1 ZINC000191119513 823651105 /nfs/dbraw/zinc/65/11/05/823651105.db2.gz HTDHYWWCEZKXPL-KRWDZBQOSA-N 1 2 385.420 4.471 20 5 GIBDLO Cc1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461765571 823693129 /nfs/dbraw/zinc/69/31/29/823693129.db2.gz FPNZKNJCBWRJJO-CYBMUJFWSA-N 1 2 380.370 4.255 20 5 GIBDLO CSc1ccc(Cl)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000064848608 823899279 /nfs/dbraw/zinc/89/92/79/823899279.db2.gz NWNZRRFOSLOYCF-UHFFFAOYSA-N 1 2 388.836 4.408 20 5 GIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(F)c1 ZINC000459664824 823245291 /nfs/dbraw/zinc/24/52/91/823245291.db2.gz QGRXLCXPNFIDFI-OAHLLOKOSA-N 1 2 394.340 4.054 20 5 GIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(F)c1 ZINC000459664824 823245294 /nfs/dbraw/zinc/24/52/94/823245294.db2.gz QGRXLCXPNFIDFI-OAHLLOKOSA-N 1 2 394.340 4.054 20 5 GIBDLO O=[N+]([O-])c1ccccc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000012132548 818143739 /nfs/dbraw/zinc/14/37/39/818143739.db2.gz GAIXEUDGNJMIPQ-UHFFFAOYSA-N 1 2 395.488 4.064 20 5 GIBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000057823021 823337949 /nfs/dbraw/zinc/33/79/49/823337949.db2.gz LVWLFZGVKXLPGX-IBGZPJMESA-N 1 2 396.491 4.211 20 5 GIBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000057823021 823337955 /nfs/dbraw/zinc/33/79/55/823337955.db2.gz LVWLFZGVKXLPGX-IBGZPJMESA-N 1 2 396.491 4.211 20 5 GIBDLO CCCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000058165699 823365963 /nfs/dbraw/zinc/36/59/63/823365963.db2.gz SLQUPFGXCNTFLW-MRXNPFEDSA-N 1 2 377.514 4.291 20 5 GIBDLO Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000460507990 823412008 /nfs/dbraw/zinc/41/20/08/823412008.db2.gz DNIDLDKLWWOQJU-UHFFFAOYSA-N 1 2 392.459 4.139 20 5 GIBDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000027739383 820281343 /nfs/dbraw/zinc/28/13/43/820281343.db2.gz FACDXTCDENIZJG-ZDUSSCGKSA-N 1 2 391.855 4.024 20 5 GIBDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000027739383 820281348 /nfs/dbraw/zinc/28/13/48/820281348.db2.gz FACDXTCDENIZJG-ZDUSSCGKSA-N 1 2 391.855 4.024 20 5 GIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000028677623 820349428 /nfs/dbraw/zinc/34/94/28/820349428.db2.gz KNRFGEACLZEMSS-NSHDSACASA-N 1 2 394.884 4.189 20 5 GIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000028677623 820349435 /nfs/dbraw/zinc/34/94/35/820349435.db2.gz KNRFGEACLZEMSS-NSHDSACASA-N 1 2 394.884 4.189 20 5 GIBDLO CC(C)(C)c1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000030217389 820588387 /nfs/dbraw/zinc/58/83/87/820588387.db2.gz PWTZEGFZRGDLKE-UHFFFAOYSA-N 1 2 392.459 4.067 20 5 GIBDLO Cc1cc2sc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000033227359 821050924 /nfs/dbraw/zinc/05/09/24/821050924.db2.gz PAANRVNLEPZKRL-UHFFFAOYSA-N 1 2 393.428 4.259 20 5 GIBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483437 823533259 /nfs/dbraw/zinc/53/32/59/823533259.db2.gz CZWOLASFRIOFMH-UHFFFAOYSA-N 1 2 388.851 4.352 20 5 GIBDLO C[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045248225 822373302 /nfs/dbraw/zinc/37/33/02/822373302.db2.gz CMTWTLMHDLSRSD-CYBMUJFWSA-N 1 2 384.823 4.267 20 5 GIBDLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183454806 822477533 /nfs/dbraw/zinc/47/75/33/822477533.db2.gz CXTZUBLKZVVGRY-LLVKDONJSA-N 1 2 388.786 4.315 20 5 GIBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(OC(F)F)c1 ZINC000179576656 822506164 /nfs/dbraw/zinc/50/61/64/822506164.db2.gz ZMGRCCBHBAFSNB-LLVKDONJSA-N 1 2 390.346 4.097 20 5 GIBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(OC(F)F)cc1 ZINC000179610139 822512248 /nfs/dbraw/zinc/51/22/48/822512248.db2.gz BPBMQWLHBDYTDL-NSHDSACASA-N 1 2 390.346 4.097 20 5 GIBDLO COc1cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180135300 822623603 /nfs/dbraw/zinc/62/36/03/822623603.db2.gz FJMVQUARAVCWMQ-GFCCVEGCSA-N 1 2 396.390 4.146 20 5 GIBDLO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180135300 822623604 /nfs/dbraw/zinc/62/36/04/822623604.db2.gz FJMVQUARAVCWMQ-GFCCVEGCSA-N 1 2 396.390 4.146 20 5 GIBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cccc1[N+](=O)[O-] ZINC000184486500 822644086 /nfs/dbraw/zinc/64/40/86/822644086.db2.gz RNILGSGITHBDFL-CHWSQXEVSA-N 1 2 390.509 4.335 20 5 GIBDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000185610929 822802015 /nfs/dbraw/zinc/80/20/15/822802015.db2.gz CERXWFMTSYJBQR-HNNXBMFYSA-N 1 2 398.488 4.190 20 5 GIBDLO Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461782552 823694820 /nfs/dbraw/zinc/69/48/20/823694820.db2.gz AKVFUCVJXGJNEZ-UHFFFAOYSA-N 1 2 380.370 4.398 20 5 GIBDLO CCCCOc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000065114114 823945572 /nfs/dbraw/zinc/94/55/72/823945572.db2.gz FOUMDEYJYJDMIG-UHFFFAOYSA-N 1 2 380.404 4.212 20 5 GIBDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)n2C ZINC000187576686 823091539 /nfs/dbraw/zinc/09/15/39/823091539.db2.gz LSVNEFSFQAQAIG-UHFFFAOYSA-N 1 2 376.416 4.340 20 5 GIBDLO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000056207783 823103177 /nfs/dbraw/zinc/10/31/77/823103177.db2.gz AKLWBZFQTLLPHK-NRFANRHFSA-N 1 2 391.427 4.073 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121077520 823114332 /nfs/dbraw/zinc/11/43/32/823114332.db2.gz UIUNUGZYLARSDC-CQSZACIVSA-N 1 2 390.509 4.423 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121077520 823114334 /nfs/dbraw/zinc/11/43/34/823114334.db2.gz UIUNUGZYLARSDC-CQSZACIVSA-N 1 2 390.509 4.423 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121154890 823128815 /nfs/dbraw/zinc/12/88/15/823128815.db2.gz GZWFOPXODMTSJG-CYBMUJFWSA-N 1 2 376.482 4.115 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121154890 823128816 /nfs/dbraw/zinc/12/88/16/823128816.db2.gz GZWFOPXODMTSJG-CYBMUJFWSA-N 1 2 376.482 4.115 20 5 GIBDLO Cc1ccc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)cc1[N+](=O)[O-] ZINC000571202779 823147668 /nfs/dbraw/zinc/14/76/68/823147668.db2.gz NMGILUNXRLBRFV-SFHVURJKSA-N 1 2 396.472 4.091 20 5 GIBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000016623735 818460362 /nfs/dbraw/zinc/46/03/62/818460362.db2.gz LXYMZTRYYSZESF-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000016623735 818460366 /nfs/dbraw/zinc/46/03/66/818460366.db2.gz LXYMZTRYYSZESF-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000032638958 820982202 /nfs/dbraw/zinc/98/22/02/820982202.db2.gz BUAOPAUVGZWGFA-KRWDZBQOSA-N 1 2 396.834 4.411 20 5 GIBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000033220520 821050305 /nfs/dbraw/zinc/05/03/05/821050305.db2.gz HAQANCMCWSDWQS-ZDUSSCGKSA-N 1 2 376.372 4.018 20 5 GIBDLO CCc1ccc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)sc2c1 ZINC000033227286 821051233 /nfs/dbraw/zinc/05/12/33/821051233.db2.gz HOXLGJXZVBBXHG-UHFFFAOYSA-N 1 2 393.428 4.205 20 5 GIBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000042510556 821309342 /nfs/dbraw/zinc/30/93/42/821309342.db2.gz MMDZNRKPRAAWRN-QRWLVFNGSA-N 1 2 379.416 4.202 20 5 GIBDLO CCCCn1c(SCc2ccccc2[N+](=O)[O-])nnc1[C@@H](CC)[NH+](C)C ZINC000044172346 821539451 /nfs/dbraw/zinc/53/94/51/821539451.db2.gz RKMXRAIJMLWNEQ-OAHLLOKOSA-N 1 2 377.514 4.291 20 5 GIBDLO O=[N+]([O-])c1cccc([C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)c2ccccc2)c1 ZINC000181072282 821618518 /nfs/dbraw/zinc/61/85/18/821618518.db2.gz WWDWWPJCGSHTCH-QFIPXVFZSA-N 1 2 390.443 4.028 20 5 GIBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000181311307 821749841 /nfs/dbraw/zinc/74/98/41/821749841.db2.gz ABXFUXLFIRMTFB-ZDUSSCGKSA-N 1 2 384.461 4.363 20 5 GIBDLO C[C@@H]([NH2+]Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1cccc([N+](=O)[O-])c1 ZINC000180412197 822677549 /nfs/dbraw/zinc/67/75/49/822677549.db2.gz LAJOBPHDHQPVRX-VXGBXAGGSA-N 1 2 397.504 4.157 20 5 GIBDLO C[C@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180425784 822679764 /nfs/dbraw/zinc/67/97/64/822679764.db2.gz HXBJHXWNCLTVMP-AWEZNQCLSA-N 1 2 396.472 4.083 20 5 GIBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050331850 822725746 /nfs/dbraw/zinc/72/57/46/822725746.db2.gz JMQMVICUYNBGHS-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)n2)c1 ZINC000185129539 822740578 /nfs/dbraw/zinc/74/05/78/822740578.db2.gz RJYDZMNDNSQADK-ZIAGYGMSSA-N 1 2 382.420 4.374 20 5 GIBDLO Cc1c(Cc2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)cccc1[N+](=O)[O-] ZINC000569775706 822967358 /nfs/dbraw/zinc/96/73/58/822967358.db2.gz PAHOSLXODVGGKK-JXMROGBWSA-N 1 2 387.399 4.233 20 5 GIBDLO CCc1ccc([C@H]2COCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000126169628 823804603 /nfs/dbraw/zinc/80/46/03/823804603.db2.gz LAHBWEFBCFXOFE-GOSISDBHSA-N 1 2 397.431 4.021 20 5 GIBDLO CCc1ccc([C@H]2COCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000126169628 823804614 /nfs/dbraw/zinc/80/46/14/823804614.db2.gz LAHBWEFBCFXOFE-GOSISDBHSA-N 1 2 397.431 4.021 20 5 GIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(Cl)s1 ZINC000018939207 210220278 /nfs/dbraw/zinc/22/02/78/210220278.db2.gz BFKWRULJAMTIMZ-VIFPVBQESA-N 1 2 388.276 4.422 20 5 GIBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000018939207 210220281 /nfs/dbraw/zinc/22/02/81/210220281.db2.gz BFKWRULJAMTIMZ-VIFPVBQESA-N 1 2 388.276 4.422 20 5 GIBDLO Cc1csc(Sc2ccc(C(=O)Nc3cc[nH+]c(C)c3)cc2[N+](=O)[O-])n1 ZINC000017821005 818528171 /nfs/dbraw/zinc/52/81/71/818528171.db2.gz DMOVGVHGGMOQOJ-UHFFFAOYSA-N 1 2 386.458 4.467 20 5 GIBDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122426733 823352499 /nfs/dbraw/zinc/35/24/99/823352499.db2.gz HYGGYHFWPBRMKS-UHFFFAOYSA-N 1 2 388.855 4.034 20 5 GIBDLO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000058072900 823359557 /nfs/dbraw/zinc/35/95/57/823359557.db2.gz STXXONQSMBUHIA-GOSISDBHSA-N 1 2 383.448 4.078 20 5 GIBDLO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000058072900 823359563 /nfs/dbraw/zinc/35/95/63/823359563.db2.gz STXXONQSMBUHIA-GOSISDBHSA-N 1 2 383.448 4.078 20 5 GIBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1C(F)(F)F ZINC000022965785 818881298 /nfs/dbraw/zinc/88/12/98/818881298.db2.gz PEGGWXZMZZTVIK-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1C(F)(F)F ZINC000022965785 818881302 /nfs/dbraw/zinc/88/13/02/818881302.db2.gz PEGGWXZMZZTVIK-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000025931921 820041447 /nfs/dbraw/zinc/04/14/47/820041447.db2.gz RNNKGYIBTYEDHG-UHFFFAOYSA-N 1 2 382.247 4.362 20 5 GIBDLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000025931921 820041454 /nfs/dbraw/zinc/04/14/54/820041454.db2.gz RNNKGYIBTYEDHG-UHFFFAOYSA-N 1 2 382.247 4.362 20 5 GIBDLO COc1ccc(Cl)cc1CN1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000027426004 820242767 /nfs/dbraw/zinc/24/27/67/820242767.db2.gz VOSLFMOTEUWBJZ-HNNXBMFYSA-N 1 2 389.883 4.136 20 5 GIBDLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000027739391 820281750 /nfs/dbraw/zinc/28/17/50/820281750.db2.gz FACDXTCDENIZJG-CYBMUJFWSA-N 1 2 391.855 4.024 20 5 GIBDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000027739391 820281760 /nfs/dbraw/zinc/28/17/60/820281760.db2.gz FACDXTCDENIZJG-CYBMUJFWSA-N 1 2 391.855 4.024 20 5 GIBDLO CCCCn1c(SCc2csc([N+](=O)[O-])c2)nnc1[C@@H](CC)[NH+](C)C ZINC000123153115 823470830 /nfs/dbraw/zinc/47/08/30/823470830.db2.gz JMAHXJDOWRSFLF-CYBMUJFWSA-N 1 2 383.543 4.353 20 5 GIBDLO CCSCc1cc[nH+]c(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000123285573 823490700 /nfs/dbraw/zinc/49/07/00/823490700.db2.gz YBRPGFNPCIIJDM-UHFFFAOYSA-N 1 2 383.477 4.256 20 5 GIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000181583356 821889152 /nfs/dbraw/zinc/88/91/52/821889152.db2.gz VIIGVBIXJMXPRH-YOEHRIQHSA-N 1 2 388.493 4.015 20 5 GIBDLO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000182428265 822240119 /nfs/dbraw/zinc/24/01/19/822240119.db2.gz AHSJYMCAFXOTFV-LLVKDONJSA-N 1 2 392.246 4.333 20 5 GIBDLO O=C(Nc1ccccc1OC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046664852 822500831 /nfs/dbraw/zinc/50/08/31/822500831.db2.gz DYSOTWVSZRIXAL-UHFFFAOYSA-N 1 2 392.415 4.354 20 5 GIBDLO COc1cc(CNc2ccc(C)[nH+]c2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000184896931 822709332 /nfs/dbraw/zinc/70/93/32/822709332.db2.gz CHURNFVRYIAPTG-UHFFFAOYSA-N 1 2 385.342 4.168 20 5 GIBDLO Cc1c(Cc2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)cccc1[N+](=O)[O-] ZINC000569775710 822967320 /nfs/dbraw/zinc/96/73/20/822967320.db2.gz PAHOSLXODVGGKK-YFHOEESVSA-N 1 2 387.399 4.233 20 5 GIBDLO COc1ccc(-c2ccc(C[NH2+]Cc3cn4cccc(C)c4n3)o2)c([N+](=O)[O-])c1 ZINC000123993800 823558365 /nfs/dbraw/zinc/55/83/65/823558365.db2.gz CGWIDGUXYYXBIE-UHFFFAOYSA-N 1 2 392.415 4.109 20 5 GIBDLO Cc1c(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000165152965 823836715 /nfs/dbraw/zinc/83/67/15/823836715.db2.gz HJNQCCOOUZFZCQ-OAQYLSRUSA-N 1 2 375.428 4.373 20 5 GIBDLO Cc1ccc(C)c(OC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000064632015 823855239 /nfs/dbraw/zinc/85/52/39/823855239.db2.gz VWXABGXTDMIVNK-QGZVFWFLSA-N 1 2 397.475 4.082 20 5 GIBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc(-c2ccccc2)cs1 ZINC000170961382 824020066 /nfs/dbraw/zinc/02/00/66/824020066.db2.gz MRRJCHRPWSLPJJ-ZDUSSCGKSA-N 1 2 397.456 4.436 20 5 GIBDLO CC(C)c1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000187411680 823058225 /nfs/dbraw/zinc/05/82/25/823058225.db2.gz GGMVMMBGXZCWCU-UHFFFAOYSA-N 1 2 394.431 4.246 20 5 GIBDLO C[N@H+](Cc1ccc(Oc2cnccn2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000121877420 823268740 /nfs/dbraw/zinc/26/87/40/823268740.db2.gz OMUFBMGDTQTEOI-UHFFFAOYSA-N 1 2 384.823 4.463 20 5 GIBDLO C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000121877420 823268743 /nfs/dbraw/zinc/26/87/43/823268743.db2.gz OMUFBMGDTQTEOI-UHFFFAOYSA-N 1 2 384.823 4.463 20 5 GIBDLO O=[N+]([O-])c1cccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000012132517 818143911 /nfs/dbraw/zinc/14/39/11/818143911.db2.gz KOGZMOUONNVBAP-UHFFFAOYSA-N 1 2 395.488 4.064 20 5 GIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000572320204 823319535 /nfs/dbraw/zinc/31/95/35/823319535.db2.gz UYPZXAWQMHQWCO-CQSZACIVSA-N 1 2 394.431 4.379 20 5 GIBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000572320204 823319540 /nfs/dbraw/zinc/31/95/40/823319540.db2.gz UYPZXAWQMHQWCO-CQSZACIVSA-N 1 2 394.431 4.379 20 5 GIBDLO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821329 823337610 /nfs/dbraw/zinc/33/76/10/823337610.db2.gz KHSSOWOGLGHXMP-KRWDZBQOSA-N 1 2 392.459 4.077 20 5 GIBDLO CC[C@H](C)[N@H+](Cc1ccccc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821329 823337615 /nfs/dbraw/zinc/33/76/15/823337615.db2.gz KHSSOWOGLGHXMP-KRWDZBQOSA-N 1 2 392.459 4.077 20 5 GIBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000018110506 818546920 /nfs/dbraw/zinc/54/69/20/818546920.db2.gz PRFWMZMWLIPVJE-UHFFFAOYSA-N 1 2 395.484 4.076 20 5 GIBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Oc4ccc(F)cc4F)CC3)nc2c1 ZINC000177012478 823349359 /nfs/dbraw/zinc/34/93/59/823349359.db2.gz LVSHIUVEBXJXQF-UHFFFAOYSA-N 1 2 389.358 4.058 20 5 GIBDLO C[N@H+](Cc1csc(Br)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177022575 823351756 /nfs/dbraw/zinc/35/17/56/823351756.db2.gz SMCQSSMKWJOHCS-UHFFFAOYSA-N 1 2 382.239 4.192 20 5 GIBDLO C[N@@H+](Cc1csc(Br)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177022575 823351763 /nfs/dbraw/zinc/35/17/63/823351763.db2.gz SMCQSSMKWJOHCS-UHFFFAOYSA-N 1 2 382.239 4.192 20 5 GIBDLO CCCCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1[C@@H](CC)[NH+](C)C ZINC000058165716 823365925 /nfs/dbraw/zinc/36/59/25/823365925.db2.gz IFCAZEQUKIRRQK-MRXNPFEDSA-N 1 2 377.514 4.291 20 5 GIBDLO CC[C@@H]1CCc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)sc2C1 ZINC000059318005 823491514 /nfs/dbraw/zinc/49/15/14/823491514.db2.gz NOEGZMFMEQMQIX-GFCCVEGCSA-N 1 2 397.460 4.004 20 5 GIBDLO CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032058922 820892562 /nfs/dbraw/zinc/89/25/62/820892562.db2.gz CREJVWQGLFLHSA-UHFFFAOYSA-N 1 2 390.852 4.158 20 5 GIBDLO O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032178458 820901447 /nfs/dbraw/zinc/90/14/47/820901447.db2.gz KVVBUGRAGSLRBU-UHFFFAOYSA-N 1 2 389.371 4.051 20 5 GIBDLO O=C(Nc1ccccc1SC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000043545647 821424149 /nfs/dbraw/zinc/42/41/49/821424149.db2.gz DBOAEYTZASQKRO-UHFFFAOYSA-N 1 2 390.371 4.348 20 5 GIBDLO Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1[N+](=O)[O-] ZINC000044567365 821609751 /nfs/dbraw/zinc/60/97/51/821609751.db2.gz OCXHRAITNQEJPV-UHFFFAOYSA-N 1 2 376.416 4.355 20 5 GIBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(N2CCCC2)c1 ZINC000181878994 822024394 /nfs/dbraw/zinc/02/43/94/822024394.db2.gz LFAVNKOGGNLNMV-OAHLLOKOSA-N 1 2 393.447 4.096 20 5 GIBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000182547928 822296271 /nfs/dbraw/zinc/29/62/71/822296271.db2.gz GDDICTUNYDYUHI-CYBMUJFWSA-N 1 2 380.404 4.059 20 5 GIBDLO C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045242720 822372765 /nfs/dbraw/zinc/37/27/65/822372765.db2.gz FTYDXXIWTDJWED-CYBMUJFWSA-N 1 2 384.823 4.267 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2cc(Cl)ccc21 ZINC000046222424 822451674 /nfs/dbraw/zinc/45/16/74/822451674.db2.gz UWJSLUCZJYOGEB-UHFFFAOYSA-N 1 2 382.807 4.027 20 5 GIBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(OC(F)F)cc1 ZINC000179610150 822512289 /nfs/dbraw/zinc/51/22/89/822512289.db2.gz BPBMQWLHBDYTDL-LLVKDONJSA-N 1 2 390.346 4.097 20 5 GIBDLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000179675942 822524742 /nfs/dbraw/zinc/52/47/42/822524742.db2.gz CWRGBAOUPWWAAY-AWEZNQCLSA-N 1 2 382.420 4.283 20 5 GIBDLO O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+](Cc2ccsc2)CC1 ZINC000046902823 822528643 /nfs/dbraw/zinc/52/86/43/822528643.db2.gz XPNRFVNUROKYSS-UHFFFAOYSA-N 1 2 387.508 4.408 20 5 GIBDLO Cc1cc(C)c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000455518708 822669763 /nfs/dbraw/zinc/66/97/63/822669763.db2.gz LXBNVGCLHJQDDD-UHFFFAOYSA-N 1 2 382.342 4.256 20 5 GIBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050310195 822724565 /nfs/dbraw/zinc/72/45/65/822724565.db2.gz ZVJNVFOVKVAOOW-UHFFFAOYSA-N 1 2 391.412 4.156 20 5 GIBDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C(F)(F)F ZINC000190170426 823545476 /nfs/dbraw/zinc/54/54/76/823545476.db2.gz QXVYJMGUTIHERR-ZDUSSCGKSA-N 1 2 384.358 4.055 20 5 GIBDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C(F)(F)F ZINC000190170426 823545479 /nfs/dbraw/zinc/54/54/79/823545479.db2.gz QXVYJMGUTIHERR-ZDUSSCGKSA-N 1 2 384.358 4.055 20 5 GIBDLO Cc1cccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000056000438 823076897 /nfs/dbraw/zinc/07/68/97/823076897.db2.gz MPNIJYSQUVLLNX-GOSISDBHSA-N 1 2 376.416 4.066 20 5 GIBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(Br)c3Cl)CC2)n1 ZINC000411659598 823595319 /nfs/dbraw/zinc/59/53/19/823595319.db2.gz ZEKMXTMYSAXVTR-UHFFFAOYSA-N 1 2 399.676 4.044 20 5 GIBDLO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000056493816 823159434 /nfs/dbraw/zinc/15/94/34/823159434.db2.gz YSXJZLWYDZBXCJ-HNNXBMFYSA-N 1 2 395.484 4.329 20 5 GIBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Cn1cc[nH+]c1 ZINC000176403217 823200898 /nfs/dbraw/zinc/20/08/98/823200898.db2.gz MBZWIHPMGQYOPT-HNNXBMFYSA-N 1 2 396.472 4.009 20 5 GIBDLO Cc1ccc2[nH+]c(CSc3nc4cc5ccccc5cc4c(=O)n3C)cn2c1 ZINC000007128138 817768042 /nfs/dbraw/zinc/76/80/42/817768042.db2.gz GMOAKDWWBRXDEI-UHFFFAOYSA-N 1 2 386.480 4.335 20 5 GIBDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000122009789 823292646 /nfs/dbraw/zinc/29/26/46/823292646.db2.gz DAXRHMZBRAGHJL-NSHDSACASA-N 1 2 396.900 4.207 20 5 GIBDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000122009789 823292652 /nfs/dbraw/zinc/29/26/52/823292652.db2.gz DAXRHMZBRAGHJL-NSHDSACASA-N 1 2 396.900 4.207 20 5 GIBDLO CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032488919 820959188 /nfs/dbraw/zinc/95/91/88/820959188.db2.gz VVFNZTPWBOBVHJ-UHFFFAOYSA-N 1 2 386.411 4.206 20 5 GIBDLO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000180696588 821399897 /nfs/dbraw/zinc/39/98/97/821399897.db2.gz PGYFYGAYYUXGRP-KBPBESRZSA-N 1 2 382.420 4.455 20 5 GIBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000181750184 821976054 /nfs/dbraw/zinc/97/60/54/821976054.db2.gz UHXAPTXONAEKQL-WDEREUQCSA-N 1 2 395.818 4.074 20 5 GIBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(N2CCCC2)c1 ZINC000181878977 822024611 /nfs/dbraw/zinc/02/46/11/822024611.db2.gz LFAVNKOGGNLNMV-HNNXBMFYSA-N 1 2 393.447 4.096 20 5 GIBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178273407 822361859 /nfs/dbraw/zinc/36/18/59/822361859.db2.gz TVVVHMMYMMHJGJ-KRWDZBQOSA-N 1 2 384.483 4.216 20 5 GIBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000178742090 822406550 /nfs/dbraw/zinc/40/65/50/822406550.db2.gz OCAHHCRIDYMRPN-UHFFFAOYSA-N 1 2 396.472 4.105 20 5 GIBDLO CN(Cc1csc2ccccc12)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047181959 822551679 /nfs/dbraw/zinc/55/16/79/822551679.db2.gz SWSHHJNYMNYKDQ-UHFFFAOYSA-N 1 2 392.440 4.267 20 5 GIBDLO COc1cc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000185366410 822772861 /nfs/dbraw/zinc/77/28/61/822772861.db2.gz WFDZMTLMYJXDFW-OAHLLOKOSA-N 1 2 399.419 4.211 20 5 GIBDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174832633 822843481 /nfs/dbraw/zinc/84/34/81/822843481.db2.gz SJHZBSDFULUNOD-UHFFFAOYSA-N 1 2 388.855 4.034 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCSc2ccc(F)cc21 ZINC000190426957 823572226 /nfs/dbraw/zinc/57/22/26/823572226.db2.gz HGZSCVBGAOXDKB-UHFFFAOYSA-N 1 2 398.419 4.062 20 5 GIBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c(C(F)(F)F)c1 ZINC000413144297 823715003 /nfs/dbraw/zinc/71/50/03/823715003.db2.gz XUUOBHPSOZWOBZ-UHFFFAOYSA-N 1 2 395.385 4.396 20 5 GIBDLO Cc1c(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000165152834 823836418 /nfs/dbraw/zinc/83/64/18/823836418.db2.gz HJNQCCOOUZFZCQ-NRFANRHFSA-N 1 2 375.428 4.373 20 5 GIBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC000176310086 823178720 /nfs/dbraw/zinc/17/87/20/823178720.db2.gz VGCQPDZKVCWRSW-NSHDSACASA-N 1 2 394.884 4.189 20 5 GIBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC000176310086 823178723 /nfs/dbraw/zinc/17/87/23/823178723.db2.gz VGCQPDZKVCWRSW-NSHDSACASA-N 1 2 394.884 4.189 20 5 GIBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Cn1cc[nH+]c1 ZINC000176403229 823200726 /nfs/dbraw/zinc/20/07/26/823200726.db2.gz MBZWIHPMGQYOPT-OAHLLOKOSA-N 1 2 396.472 4.009 20 5 GIBDLO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000121747566 823242375 /nfs/dbraw/zinc/24/23/75/823242375.db2.gz LJVBLSFWPBMIGD-SJLPKXTDSA-N 1 2 390.443 4.107 20 5 GIBDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000122009585 823292569 /nfs/dbraw/zinc/29/25/69/823292569.db2.gz DAXRHMZBRAGHJL-LLVKDONJSA-N 1 2 396.900 4.207 20 5 GIBDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000122009585 823292575 /nfs/dbraw/zinc/29/25/75/823292575.db2.gz DAXRHMZBRAGHJL-LLVKDONJSA-N 1 2 396.900 4.207 20 5 GIBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000014321779 818234718 /nfs/dbraw/zinc/23/47/18/818234718.db2.gz LQJDUQNKTSIAFZ-UHFFFAOYSA-N 1 2 394.500 4.036 20 5 GIBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000016632381 818461356 /nfs/dbraw/zinc/46/13/56/818461356.db2.gz KCLULVSVRVEYIC-LLVKDONJSA-N 1 2 382.247 4.361 20 5 GIBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000016632381 818461359 /nfs/dbraw/zinc/46/13/59/818461359.db2.gz KCLULVSVRVEYIC-LLVKDONJSA-N 1 2 382.247 4.361 20 5 GIBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000059827227 823499949 /nfs/dbraw/zinc/49/99/49/823499949.db2.gz BTVUQNRALVXPSD-UHFFFAOYSA-N 1 2 398.850 4.142 20 5 GIBDLO CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000410581141 823505293 /nfs/dbraw/zinc/50/52/93/823505293.db2.gz MEHPJTAKUFKXMS-QGZVFWFLSA-N 1 2 396.369 4.118 20 5 GIBDLO O=[N+]([O-])c1cccc([C@H](Nc2ccc(N3CCOCC3)c[nH+]2)c2ccccc2)c1 ZINC000181072301 821618576 /nfs/dbraw/zinc/61/85/76/821618576.db2.gz WWDWWPJCGSHTCH-JOCHJYFZSA-N 1 2 390.443 4.028 20 5 GIBDLO CCOc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000181812267 822003245 /nfs/dbraw/zinc/00/32/45/822003245.db2.gz RZEXYCGNOHZQPE-AWEZNQCLSA-N 1 2 382.420 4.203 20 5 GIBDLO CCc1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000045199956 822370419 /nfs/dbraw/zinc/37/04/19/822370419.db2.gz SEAYGBWNZVUXOY-UHFFFAOYSA-N 1 2 390.443 4.148 20 5 GIBDLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000179677765 822525172 /nfs/dbraw/zinc/52/51/72/822525172.db2.gz WFQJUBPTZLCGHO-CQSZACIVSA-N 1 2 382.420 4.283 20 5 GIBDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-])CCC2 ZINC000184265827 822605769 /nfs/dbraw/zinc/60/57/69/822605769.db2.gz FZAUQNBOLLLISW-CQSZACIVSA-N 1 2 379.457 4.271 20 5 GIBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-])CCC2 ZINC000184265827 822605770 /nfs/dbraw/zinc/60/57/70/822605770.db2.gz FZAUQNBOLLLISW-CQSZACIVSA-N 1 2 379.457 4.271 20 5 GIBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458018746 822950858 /nfs/dbraw/zinc/95/08/58/822950858.db2.gz CZCAXOMEMDTQHT-OALUTQOASA-N 1 2 390.443 4.189 20 5 GIBDLO CCOc1ccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000186820783 822961098 /nfs/dbraw/zinc/96/10/98/822961098.db2.gz WAWCBAPKNMJGDN-ZDUSSCGKSA-N 1 2 377.441 4.147 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121155057 823128953 /nfs/dbraw/zinc/12/89/53/823128953.db2.gz GZWFOPXODMTSJG-ZDUSSCGKSA-N 1 2 376.482 4.115 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121155057 823128956 /nfs/dbraw/zinc/12/89/56/823128956.db2.gz GZWFOPXODMTSJG-ZDUSSCGKSA-N 1 2 376.482 4.115 20 5 GIBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000571244959 823154718 /nfs/dbraw/zinc/15/47/18/823154718.db2.gz GSLNJEQTUTYFEN-QGZVFWFLSA-N 1 2 386.839 4.340 20 5 GIBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000571244959 823154721 /nfs/dbraw/zinc/15/47/21/823154721.db2.gz GSLNJEQTUTYFEN-QGZVFWFLSA-N 1 2 386.839 4.340 20 5 GIBDLO C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000056493818 823159413 /nfs/dbraw/zinc/15/94/13/823159413.db2.gz YSXJZLWYDZBXCJ-OAHLLOKOSA-N 1 2 395.484 4.329 20 5 GIBDLO CCOc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc(Br)c1O ZINC000459311442 823159957 /nfs/dbraw/zinc/15/99/57/823159957.db2.gz XQKBGRYPIIJIPP-UHFFFAOYSA-N 1 2 395.253 4.094 20 5 GIBDLO CCOc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc(Br)c1O ZINC000459311442 823159963 /nfs/dbraw/zinc/15/99/63/823159963.db2.gz XQKBGRYPIIJIPP-UHFFFAOYSA-N 1 2 395.253 4.094 20 5 GIBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572082908 823280302 /nfs/dbraw/zinc/28/03/02/823280302.db2.gz BBHBNKCVOFMXHC-INIZCTEOSA-N 1 2 397.479 4.102 20 5 GIBDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000122092308 823305272 /nfs/dbraw/zinc/30/52/72/823305272.db2.gz ZORXGPBGKLMENA-LLVKDONJSA-N 1 2 396.900 4.207 20 5 GIBDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000122092308 823305276 /nfs/dbraw/zinc/30/52/76/823305276.db2.gz ZORXGPBGKLMENA-LLVKDONJSA-N 1 2 396.900 4.207 20 5 GIBDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000122092511 823305301 /nfs/dbraw/zinc/30/53/01/823305301.db2.gz ZORXGPBGKLMENA-NSHDSACASA-N 1 2 396.900 4.207 20 5 GIBDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000122092511 823305307 /nfs/dbraw/zinc/30/53/07/823305307.db2.gz ZORXGPBGKLMENA-NSHDSACASA-N 1 2 396.900 4.207 20 5 GIBDLO O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177202746 823398170 /nfs/dbraw/zinc/39/81/70/823398170.db2.gz SKCCYYGSOSSWSR-UHFFFAOYSA-N 1 2 396.378 4.103 20 5 GIBDLO COc1cc(C[N@@H+]2CCc3sccc3[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000027371926 820233174 /nfs/dbraw/zinc/23/31/74/820233174.db2.gz CLXKEHUCNXJABM-SNVBAGLBSA-N 1 2 384.404 4.386 20 5 GIBDLO COc1cc(C[N@H+]2CCc3sccc3[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000027371926 820233180 /nfs/dbraw/zinc/23/31/80/820233180.db2.gz CLXKEHUCNXJABM-SNVBAGLBSA-N 1 2 384.404 4.386 20 5 GIBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029525913 820468483 /nfs/dbraw/zinc/46/84/83/820468483.db2.gz QOXBDKLIXODXMH-GOSISDBHSA-N 1 2 395.381 4.099 20 5 GIBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000029530055 820469140 /nfs/dbraw/zinc/46/91/40/820469140.db2.gz HBWVCBZGONLILS-CYBMUJFWSA-N 1 2 390.827 4.040 20 5 GIBDLO C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000030030764 820571482 /nfs/dbraw/zinc/57/14/82/820571482.db2.gz UTQGWPRONFZLHC-FQEVSTJZSA-N 1 2 381.476 4.021 20 5 GIBDLO C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000030030764 820571487 /nfs/dbraw/zinc/57/14/87/820571487.db2.gz UTQGWPRONFZLHC-FQEVSTJZSA-N 1 2 381.476 4.021 20 5 GIBDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032158227 820900094 /nfs/dbraw/zinc/90/00/94/820900094.db2.gz QYMAERHSOZPOFH-AWEZNQCLSA-N 1 2 390.399 4.360 20 5 GIBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000042510562 821309414 /nfs/dbraw/zinc/30/94/14/821309414.db2.gz MMDZNRKPRAAWRN-FOIQADDNSA-N 1 2 379.416 4.202 20 5 GIBDLO COc1cc(C[N@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000044438732 821586449 /nfs/dbraw/zinc/58/64/49/821586449.db2.gz XHSRDKUIDARQAC-UHFFFAOYSA-N 1 2 388.317 4.115 20 5 GIBDLO COc1cc(C[N@@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000044438732 821586451 /nfs/dbraw/zinc/58/64/51/821586451.db2.gz XHSRDKUIDARQAC-UHFFFAOYSA-N 1 2 388.317 4.115 20 5 GIBDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccc(F)c(F)c1 ZINC000181426416 821820494 /nfs/dbraw/zinc/82/04/94/821820494.db2.gz PZGQDHIZWNCHCG-GOSISDBHSA-N 1 2 380.391 4.138 20 5 GIBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000181583389 821889338 /nfs/dbraw/zinc/88/93/38/821889338.db2.gz VIIGVBIXJMXPRH-WMLDXEAASA-N 1 2 388.493 4.015 20 5 GIBDLO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c(Br)c1 ZINC000181695207 821947336 /nfs/dbraw/zinc/94/73/36/821947336.db2.gz AWZZUIHUFYVMOJ-LLVKDONJSA-N 1 2 395.253 4.225 20 5 GIBDLO COc1cc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000183557842 822494351 /nfs/dbraw/zinc/49/43/51/822494351.db2.gz XXOWDBIKMMBUFX-OAHLLOKOSA-N 1 2 399.419 4.211 20 5 GIBDLO COc1cc(C[N@H+](C)Cc2ccncc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000183738127 822519322 /nfs/dbraw/zinc/51/93/22/822519322.db2.gz FKIZNSHQJTYYSS-UHFFFAOYSA-N 1 2 393.443 4.209 20 5 GIBDLO COc1cc(C[N@@H+](C)Cc2ccncc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000183738127 822519325 /nfs/dbraw/zinc/51/93/25/822519325.db2.gz FKIZNSHQJTYYSS-UHFFFAOYSA-N 1 2 393.443 4.209 20 5 GIBDLO Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)c1 ZINC000183773401 822526379 /nfs/dbraw/zinc/52/63/79/822526379.db2.gz CDPODEGRLAAJMS-SFHVURJKSA-N 1 2 390.443 4.027 20 5 GIBDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184469002 822641367 /nfs/dbraw/zinc/64/13/67/822641367.db2.gz CMCAKUICKNCGAU-NEPJUHHUSA-N 1 2 376.482 4.027 20 5 GIBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185228535 822751959 /nfs/dbraw/zinc/75/19/59/822751959.db2.gz XRYVJZYEJXCNQU-GFCCVEGCSA-N 1 2 394.884 4.220 20 5 GIBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000055388433 822956579 /nfs/dbraw/zinc/95/65/79/822956579.db2.gz NUEIGQJVYFDRBS-UHFFFAOYSA-N 1 2 380.379 4.186 20 5 GIBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1C(F)(F)F ZINC000190208181 823551115 /nfs/dbraw/zinc/55/11/15/823551115.db2.gz KYUMDUCAXNOQJL-ZDUSSCGKSA-N 1 2 384.358 4.055 20 5 GIBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1C(F)(F)F ZINC000190208181 823551116 /nfs/dbraw/zinc/55/11/16/823551116.db2.gz KYUMDUCAXNOQJL-ZDUSSCGKSA-N 1 2 384.358 4.055 20 5 GIBDLO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000412007748 823622040 /nfs/dbraw/zinc/62/20/40/823622040.db2.gz DRYSYWBTTQQEEO-FQEVSTJZSA-N 1 2 386.423 4.096 20 5 GIBDLO COc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000412007748 823622043 /nfs/dbraw/zinc/62/20/43/823622043.db2.gz DRYSYWBTTQQEEO-FQEVSTJZSA-N 1 2 386.423 4.096 20 5 GIBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000192253820 823917847 /nfs/dbraw/zinc/91/78/47/823917847.db2.gz NNIFTPNTCFXDEF-UHFFFAOYSA-N 1 2 386.477 4.121 20 5 GIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000462443548 823977334 /nfs/dbraw/zinc/97/73/34/823977334.db2.gz FRIXKWPMZQRYLH-OAHLLOKOSA-N 1 2 382.395 4.127 20 5 GIBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc(-c2ccccc2)cs1 ZINC000170961384 824020112 /nfs/dbraw/zinc/02/01/12/824020112.db2.gz MRRJCHRPWSLPJJ-CYBMUJFWSA-N 1 2 397.456 4.436 20 5 GIBDLO COc1ccc([C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000192642616 824054190 /nfs/dbraw/zinc/05/41/90/824054190.db2.gz AVXVZZPOQUZLRR-LEWJYISDSA-N 1 2 392.459 4.094 20 5 GIBDLO O=[N+]([O-])c1cccc(-c2ccc(CNc3ccccc3C[NH+]3CCOCC3)o2)c1 ZINC000120963305 823093892 /nfs/dbraw/zinc/09/38/92/823093892.db2.gz INQAQNHZVKRBSS-UHFFFAOYSA-N 1 2 393.443 4.299 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121077338 823114014 /nfs/dbraw/zinc/11/40/14/823114014.db2.gz UIUNUGZYLARSDC-AWEZNQCLSA-N 1 2 390.509 4.423 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121077338 823114015 /nfs/dbraw/zinc/11/40/15/823114015.db2.gz UIUNUGZYLARSDC-AWEZNQCLSA-N 1 2 390.509 4.423 20 5 GIBDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000409466782 823226854 /nfs/dbraw/zinc/22/68/54/823226854.db2.gz UQDPULRITMXSII-AWEZNQCLSA-N 1 2 390.399 4.326 20 5 GIBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4nc5ccccc5s4)CC3)nc2c1 ZINC000006978545 817733376 /nfs/dbraw/zinc/73/33/76/817733376.db2.gz JTZJDIWLAYQQAO-UHFFFAOYSA-N 1 2 393.472 4.460 20 5 GIBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000572326133 823320559 /nfs/dbraw/zinc/32/05/59/823320559.db2.gz CIILPIDLBHLKGX-UHFFFAOYSA-N 1 2 391.214 4.017 20 5 GIBDLO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821323 823337540 /nfs/dbraw/zinc/33/75/40/823337540.db2.gz KHSSOWOGLGHXMP-QGZVFWFLSA-N 1 2 392.459 4.077 20 5 GIBDLO CC[C@@H](C)[N@H+](Cc1ccccc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821323 823337545 /nfs/dbraw/zinc/33/75/45/823337545.db2.gz KHSSOWOGLGHXMP-QGZVFWFLSA-N 1 2 392.459 4.077 20 5 GIBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c2ncccc12 ZINC000024058730 819017019 /nfs/dbraw/zinc/01/70/19/819017019.db2.gz GUBUGYWKVLPBHC-UHFFFAOYSA-N 1 2 388.880 4.180 20 5 GIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000572872124 823412195 /nfs/dbraw/zinc/41/21/95/823412195.db2.gz LGQVPXAFARNWLU-HNNXBMFYSA-N 1 2 399.672 4.224 20 5 GIBDLO CC[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000177794758 823527084 /nfs/dbraw/zinc/52/70/84/823527084.db2.gz SULPMHFGQOUUBM-SFHVURJKSA-N 1 2 398.488 4.052 20 5 GIBDLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000181235055 821711852 /nfs/dbraw/zinc/71/18/52/821711852.db2.gz FYQUEYXGRYDTGJ-UONOGXRCSA-N 1 2 383.427 4.343 20 5 GIBDLO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(F)cccc1Cl ZINC000181732294 821966327 /nfs/dbraw/zinc/96/63/27/821966327.db2.gz DVUYNUDCFGLIQV-VIFPVBQESA-N 1 2 386.210 4.330 20 5 GIBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000181809713 822001605 /nfs/dbraw/zinc/00/16/05/822001605.db2.gz DWQMVOSOLSUCPV-JTQLQIEISA-N 1 2 392.337 4.221 20 5 GIBDLO Cc1cccc(C[NH+](CCOc2cccc([N+](=O)[O-])c2)Cc2cccc(C)n2)n1 ZINC000177998735 822276775 /nfs/dbraw/zinc/27/67/75/822276775.db2.gz CYRREWRUPDHUNJ-UHFFFAOYSA-N 1 2 392.459 4.083 20 5 GIBDLO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045242719 822372785 /nfs/dbraw/zinc/37/27/85/822372785.db2.gz FTYDXXIWTDJWED-ZDUSSCGKSA-N 1 2 384.823 4.267 20 5 GIBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000453615636 822393619 /nfs/dbraw/zinc/39/36/19/822393619.db2.gz FIMWREVZLSSTPI-UHFFFAOYSA-N 1 2 385.493 4.110 20 5 GIBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000453615636 822393623 /nfs/dbraw/zinc/39/36/23/822393623.db2.gz FIMWREVZLSSTPI-UHFFFAOYSA-N 1 2 385.493 4.110 20 5 GIBDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184461329 822639552 /nfs/dbraw/zinc/63/95/52/822639552.db2.gz SNNJMFYMDPKDTB-NEPJUHHUSA-N 1 2 376.482 4.027 20 5 GIBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cccc1[N+](=O)[O-] ZINC000184486462 822644121 /nfs/dbraw/zinc/64/41/21/822644121.db2.gz RNILGSGITHBDFL-OLZOCXBDSA-N 1 2 390.509 4.335 20 5 GIBDLO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184494122 822645271 /nfs/dbraw/zinc/64/52/71/822645271.db2.gz QKCXXEZBPVZGEU-VXGBXAGGSA-N 1 2 376.482 4.027 20 5 GIBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224731 822869664 /nfs/dbraw/zinc/86/96/64/822869664.db2.gz LVRIVVIVSIQNSX-GFCCVEGCSA-N 1 2 386.408 4.039 20 5 GIBDLO C[C@@H]1C[C@H]1CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000569513853 822932650 /nfs/dbraw/zinc/93/26/50/822932650.db2.gz SPRDZHWLYGABIZ-CVEARBPZSA-N 1 2 399.516 4.014 20 5 GIBDLO Cc1ccc(C)c(OC2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000064632136 823855103 /nfs/dbraw/zinc/85/51/03/823855103.db2.gz BIXUZVWGBDHFEA-UHFFFAOYSA-N 1 2 397.475 4.002 20 5 GIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3ccc(Cl)cc3)C3CC3)o2)cc1 ZINC000120965336 823094229 /nfs/dbraw/zinc/09/42/29/823094229.db2.gz BNDGWCQARKQYCT-UHFFFAOYSA-N 1 2 384.823 4.463 20 5 GIBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3ccc(Cl)cc3)C3CC3)o2)cc1 ZINC000120965336 823094233 /nfs/dbraw/zinc/09/42/33/823094233.db2.gz BNDGWCQARKQYCT-UHFFFAOYSA-N 1 2 384.823 4.463 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121053727 823109629 /nfs/dbraw/zinc/10/96/29/823109629.db2.gz MYDCGZSJDBFVOO-AWEZNQCLSA-N 1 2 390.509 4.423 20 5 GIBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121053727 823109632 /nfs/dbraw/zinc/10/96/32/823109632.db2.gz MYDCGZSJDBFVOO-AWEZNQCLSA-N 1 2 390.509 4.423 20 5 GIBDLO COc1cc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000459636804 823234680 /nfs/dbraw/zinc/23/46/80/823234680.db2.gz RBHOJRGMVWTZPM-VIFPVBQESA-N 1 2 399.419 4.001 20 5 GIBDLO O=[N+]([O-])c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c(C(F)(F)F)c1 ZINC000057138071 823253788 /nfs/dbraw/zinc/25/37/88/823253788.db2.gz WMPKMIYZMYNRBT-UHFFFAOYSA-N 1 2 376.338 4.471 20 5 GIBDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)CC1 ZINC000022291458 818790658 /nfs/dbraw/zinc/79/06/58/818790658.db2.gz LOWFQFHVXJYDAB-UHFFFAOYSA-N 1 2 394.884 4.189 20 5 GIBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 ZINC000023643682 818969883 /nfs/dbraw/zinc/96/98/83/818969883.db2.gz CKJGZKHTQUCLHE-UHFFFAOYSA-N 1 2 395.484 4.076 20 5 GIBDLO COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031817335 820865074 /nfs/dbraw/zinc/86/50/74/820865074.db2.gz OCJVLCHGVCVRQB-UHFFFAOYSA-N 1 2 386.795 4.003 20 5 GIBDLO CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032146543 820899192 /nfs/dbraw/zinc/89/91/92/820899192.db2.gz VWUWMSNIBJOAEC-UHFFFAOYSA-N 1 2 378.432 4.141 20 5 GIBDLO Cc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032157940 820900072 /nfs/dbraw/zinc/90/00/72/820900072.db2.gz MWFWCPXXSOPZBH-GOSISDBHSA-N 1 2 376.416 4.066 20 5 GIBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000033239936 821053388 /nfs/dbraw/zinc/05/33/88/821053388.db2.gz YBVZOOIMPLKOMH-INIZCTEOSA-N 1 2 384.823 4.315 20 5 GIBDLO CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060461641 823530588 /nfs/dbraw/zinc/53/05/88/823530588.db2.gz ROSMPLCXUOYZDN-MRXNPFEDSA-N 1 2 378.432 4.221 20 5 GIBDLO Cc1sc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1[N+](=O)[O-] ZINC000044567111 821609656 /nfs/dbraw/zinc/60/96/56/821609656.db2.gz JFCRDNPFYSJVQF-UHFFFAOYSA-N 1 2 382.445 4.417 20 5 GIBDLO Cc1c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cccc1[N+](=O)[O-] ZINC000044568221 821610508 /nfs/dbraw/zinc/61/05/08/821610508.db2.gz GINKVCPAFFUMMV-UHFFFAOYSA-N 1 2 376.416 4.355 20 5 GIBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000181750168 821976251 /nfs/dbraw/zinc/97/62/51/821976251.db2.gz UHXAPTXONAEKQL-MNOVXSKESA-N 1 2 395.818 4.074 20 5 GIBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(N2CCCC2)c1 ZINC000181882065 822025248 /nfs/dbraw/zinc/02/52/48/822025248.db2.gz YIOYUUHEHXECND-OAHLLOKOSA-N 1 2 393.447 4.096 20 5 GIBDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182625151 822327568 /nfs/dbraw/zinc/32/75/68/822327568.db2.gz YAPVLBJUOZDDLO-CYBMUJFWSA-N 1 2 377.391 4.203 20 5 GIBDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182625151 822327575 /nfs/dbraw/zinc/32/75/75/822327575.db2.gz YAPVLBJUOZDDLO-CYBMUJFWSA-N 1 2 377.391 4.203 20 5 GIBDLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000182627678 822329001 /nfs/dbraw/zinc/32/90/01/822329001.db2.gz VSAVGJRCVPVAGY-CQSZACIVSA-N 1 2 382.420 4.283 20 5 GIBDLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000179748461 822542012 /nfs/dbraw/zinc/54/20/12/822542012.db2.gz XMULDEAXAIXBLA-QGZVFWFLSA-N 1 2 382.420 4.284 20 5 GIBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184494086 822645042 /nfs/dbraw/zinc/64/50/42/822645042.db2.gz QKCXXEZBPVZGEU-NWDGAFQWSA-N 1 2 376.482 4.027 20 5 GIBDLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184494064 822645084 /nfs/dbraw/zinc/64/50/84/822645084.db2.gz QKCXXEZBPVZGEU-RYUDHWBXSA-N 1 2 376.482 4.027 20 5 GIBDLO C[C@H]([NH2+]Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)c1cccc([N+](=O)[O-])c1 ZINC000180412179 822677510 /nfs/dbraw/zinc/67/75/10/822677510.db2.gz LAJOBPHDHQPVRX-RYUDHWBXSA-N 1 2 397.504 4.157 20 5 GIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116383 822822483 /nfs/dbraw/zinc/82/24/83/822822483.db2.gz USIHOKDXPKGDCZ-UHFFFAOYSA-N 1 2 382.247 4.281 20 5 GIBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116383 822822485 /nfs/dbraw/zinc/82/24/85/822822485.db2.gz USIHOKDXPKGDCZ-UHFFFAOYSA-N 1 2 382.247 4.281 20 5 GIBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1CCc1ccccc1 ZINC000055484409 822968852 /nfs/dbraw/zinc/96/88/52/822968852.db2.gz XXCOTZYGPOJPHT-IBGZPJMESA-N 1 2 390.443 4.018 20 5 GIBDLO CCCCn1c(SCc2ccc(F)cc2[N+](=O)[O-])nnc1[C@@H](CC)[NH+](C)C ZINC000569867537 822978595 /nfs/dbraw/zinc/97/85/95/822978595.db2.gz JUQDMPMCXVHGNJ-OAHLLOKOSA-N 1 2 395.504 4.431 20 5 GIBDLO CC(C)COc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055766332 823040496 /nfs/dbraw/zinc/04/04/96/823040496.db2.gz DGLMFNDTFVKNDS-UHFFFAOYSA-N 1 2 380.404 4.068 20 5 GIBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCCC3)c2)c(C(F)(F)F)c1 ZINC000413067552 823703047 /nfs/dbraw/zinc/70/30/47/823703047.db2.gz CMYXIMOJVZJTBY-UHFFFAOYSA-N 1 2 381.358 4.006 20 5 GIBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000026640390 820126310 /nfs/dbraw/zinc/12/63/10/820126310.db2.gz IACHMWDKEILXEN-UHFFFAOYSA-N 1 2 382.460 4.315 20 5 GIBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000181311286 821749674 /nfs/dbraw/zinc/74/96/74/821749674.db2.gz ABXFUXLFIRMTFB-CYBMUJFWSA-N 1 2 384.461 4.363 20 5 GIBDLO COc1cc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000185366426 822772749 /nfs/dbraw/zinc/77/27/49/822772749.db2.gz WFDZMTLMYJXDFW-HNNXBMFYSA-N 1 2 399.419 4.211 20 5 GIBDLO C[C@@H]1C[C@@H]1CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000569513855 822932558 /nfs/dbraw/zinc/93/25/58/822932558.db2.gz SPRDZHWLYGABIZ-HZPDHXFCSA-N 1 2 399.516 4.014 20 5 GIBDLO CC1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc2O1 ZINC000570076677 823003757 /nfs/dbraw/zinc/00/37/57/823003757.db2.gz DKXNTKLHPCBUBS-UHFFFAOYSA-N 1 2 379.416 4.423 20 5 GIBDLO CC1(C)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc2O1 ZINC000570076677 823003761 /nfs/dbraw/zinc/00/37/61/823003761.db2.gz DKXNTKLHPCBUBS-UHFFFAOYSA-N 1 2 379.416 4.423 20 5 GIBDLO O=C(NC1CC(c2cccc(Cl)c2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000461180018 823594107 /nfs/dbraw/zinc/59/41/07/823594107.db2.gz KWIDQIRGDOKRBC-UHFFFAOYSA-N 1 2 396.834 4.110 20 5 GIBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000063624622 823684646 /nfs/dbraw/zinc/68/46/46/823684646.db2.gz SCLDSLBIFKDRSG-UHFFFAOYSA-N 1 2 398.850 4.142 20 5 GIBDLO O=[N+]([O-])c1cc(C[N@H+](CCC(F)(F)F)Cc2ccccc2)c2c(c1)COCO2 ZINC000191782488 823766892 /nfs/dbraw/zinc/76/68/92/823766892.db2.gz AHKWKMCRAIZJSS-UHFFFAOYSA-N 1 2 396.365 4.416 20 5 GIBDLO O=[N+]([O-])c1cc(C[N@@H+](CCC(F)(F)F)Cc2ccccc2)c2c(c1)COCO2 ZINC000191782488 823766896 /nfs/dbraw/zinc/76/68/96/823766896.db2.gz AHKWKMCRAIZJSS-UHFFFAOYSA-N 1 2 396.365 4.416 20 5 GIBDLO O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015654960 818355930 /nfs/dbraw/zinc/35/59/30/818355930.db2.gz GVAAKHLFZUWRNN-UHFFFAOYSA-N 1 2 398.422 4.300 20 5 GIBDLO Cc1ccc(Sc2ccc(C[NH2+]Cc3cc(C(N)=O)co3)cc2[N+](=O)[O-])cc1 ZINC000189403473 823408973 /nfs/dbraw/zinc/40/89/73/823408973.db2.gz BLNFNDKUGDHYRG-UHFFFAOYSA-N 1 2 397.456 4.036 20 5 GIBDLO Cc1ccc(C[N@H+](CCO)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000180844423 821490787 /nfs/dbraw/zinc/49/07/87/821490787.db2.gz QZJOMDFQDWABLU-UHFFFAOYSA-N 1 2 383.473 4.021 20 5 GIBDLO Cc1ccc(C[N@@H+](CCO)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000180844423 821490791 /nfs/dbraw/zinc/49/07/91/821490791.db2.gz QZJOMDFQDWABLU-UHFFFAOYSA-N 1 2 383.473 4.021 20 5 GIBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000182517745 822278799 /nfs/dbraw/zinc/27/87/99/822278799.db2.gz QQNNXBZJPPMWMC-UHFFFAOYSA-N 1 2 388.836 4.369 20 5 GIBDLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179734741 822538266 /nfs/dbraw/zinc/53/82/66/822538266.db2.gz BKJMWZWIUHVHKJ-KRWDZBQOSA-N 1 2 382.420 4.284 20 5 GIBDLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184461292 822639630 /nfs/dbraw/zinc/63/96/30/822639630.db2.gz SNNJMFYMDPKDTB-RYUDHWBXSA-N 1 2 376.482 4.027 20 5 GIBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(C(F)(F)F)c1 ZINC000052048233 822789014 /nfs/dbraw/zinc/78/90/14/822789014.db2.gz PGFSBQJDZCOPCF-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(C(F)(F)F)c1 ZINC000052048233 822789015 /nfs/dbraw/zinc/78/90/15/822789015.db2.gz PGFSBQJDZCOPCF-UHFFFAOYSA-N 1 2 392.337 4.296 20 5 GIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000175025822 822870127 /nfs/dbraw/zinc/87/01/27/822870127.db2.gz QNPOVLFSTRLXKS-GHMZBOCLSA-N 1 2 395.818 4.074 20 5 GIBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000175025809 822870136 /nfs/dbraw/zinc/87/01/36/822870136.db2.gz QNPOVLFSTRLXKS-WDEREUQCSA-N 1 2 395.818 4.074 20 5 GIBDLO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000461310018 823615303 /nfs/dbraw/zinc/61/53/03/823615303.db2.gz RJJWSBVNMLBURX-LIRRHRJNSA-N 1 2 394.406 4.143 20 5 GIBDLO Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C ZINC000063816893 823699324 /nfs/dbraw/zinc/69/93/24/823699324.db2.gz OZPLEDUSTWBQGH-IBGZPJMESA-N 1 2 390.443 4.375 20 5 GIBDLO