smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@@H](Nc2nc3sccn3c2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000009459825 204311947 /nfs/dbraw/zinc/31/19/47/204311947.db2.gz LJHYPHZALSBINO-CYBMUJFWSA-N 1 2 384.421 3.248 20 5 GGBDLO CC[N@H+](CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000009157855 204300859 /nfs/dbraw/zinc/30/08/59/204300859.db2.gz RWULJHHBRYGIAU-UHFFFAOYSA-N 1 2 385.420 3.012 20 5 GGBDLO CC[N@@H+](CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000009157855 204300864 /nfs/dbraw/zinc/30/08/64/204300864.db2.gz RWULJHHBRYGIAU-UHFFFAOYSA-N 1 2 385.420 3.012 20 5 GGBDLO Cc1cc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000017744103 204611957 /nfs/dbraw/zinc/61/19/57/204611957.db2.gz ALIBBVNTVZHXDT-UHFFFAOYSA-N 1 2 384.440 3.171 20 5 GGBDLO COc1cccc([C@H](Nc2nc3ccccn3c2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000021901716 204768991 /nfs/dbraw/zinc/76/89/91/204768991.db2.gz DOSHYPCPMGQJET-INIZCTEOSA-N 1 2 378.392 3.186 20 5 GGBDLO COc1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000032039763 204908028 /nfs/dbraw/zinc/90/80/28/204908028.db2.gz JHAHNGQEJZHQBS-UHFFFAOYSA-N 1 2 396.403 3.070 20 5 GGBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000071968825 206208798 /nfs/dbraw/zinc/20/87/98/206208798.db2.gz BPBUYLQBZQHHLV-LJQANCHMSA-N 1 2 386.408 3.297 20 5 GGBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116276589 564207266 /nfs/dbraw/zinc/20/72/66/564207266.db2.gz AGTTUPJQXHVLLI-LLVKDONJSA-N 1 2 383.857 3.089 20 5 GGBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116276589 564207270 /nfs/dbraw/zinc/20/72/70/564207270.db2.gz AGTTUPJQXHVLLI-LLVKDONJSA-N 1 2 383.857 3.089 20 5 GGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)s1 ZINC000008165344 564247345 /nfs/dbraw/zinc/24/73/45/564247345.db2.gz KAOSKSVKUATQDU-UHFFFAOYSA-N 1 2 384.255 3.489 20 5 GGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)s1 ZINC000008165344 564247348 /nfs/dbraw/zinc/24/73/48/564247348.db2.gz KAOSKSVKUATQDU-UHFFFAOYSA-N 1 2 384.255 3.489 20 5 GGBDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000119713298 564284676 /nfs/dbraw/zinc/28/46/76/564284676.db2.gz DXQNNZMDNSUYDX-NSHDSACASA-N 1 2 383.857 3.007 20 5 GGBDLO CSc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000018147709 564301412 /nfs/dbraw/zinc/30/14/12/564301412.db2.gz BTLJAEHVSKJHAR-UHFFFAOYSA-N 1 2 377.491 3.336 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(Br)c3)CC2)cn1 ZINC000027231195 564352983 /nfs/dbraw/zinc/35/29/83/564352983.db2.gz UNKAWIOPXIMSDY-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)[nH+]1 ZINC000121537557 564373715 /nfs/dbraw/zinc/37/37/15/564373715.db2.gz SZQCCXHALXYYQK-UHFFFAOYSA-N 1 2 397.172 3.464 20 5 GGBDLO C[N@H+](Cc1cc(Br)cs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000052847924 564577616 /nfs/dbraw/zinc/57/76/16/564577616.db2.gz LGUVJNWFIWCYLV-UHFFFAOYSA-N 1 2 384.255 3.150 20 5 GGBDLO C[N@@H+](Cc1cc(Br)cs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000052847924 564577619 /nfs/dbraw/zinc/57/76/19/564577619.db2.gz LGUVJNWFIWCYLV-UHFFFAOYSA-N 1 2 384.255 3.150 20 5 GGBDLO Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000127303239 564580341 /nfs/dbraw/zinc/58/03/41/564580341.db2.gz HXXPDABTKYASQM-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000130591766 564685910 /nfs/dbraw/zinc/68/59/10/564685910.db2.gz BMRBAYOKNQHUFK-AWEZNQCLSA-N 1 2 393.241 3.377 20 5 GGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000068302223 564814250 /nfs/dbraw/zinc/81/42/50/564814250.db2.gz NEQWZQGUPQWQPA-UHFFFAOYSA-N 1 2 376.722 3.279 20 5 GGBDLO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000135431508 564831163 /nfs/dbraw/zinc/83/11/63/564831163.db2.gz AGQOPJTWIPBAOM-NSHDSACASA-N 1 2 388.287 3.123 20 5 GGBDLO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000135431508 564831159 /nfs/dbraw/zinc/83/11/59/564831159.db2.gz AGQOPJTWIPBAOM-NSHDSACASA-N 1 2 388.287 3.123 20 5 GGBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078604257 564863766 /nfs/dbraw/zinc/86/37/66/564863766.db2.gz LGJPHZCENHPACB-JTQLQIEISA-N 1 2 380.798 3.315 20 5 GGBDLO O=[N+]([O-])c1cc(I)ccc1NCCCCn1cc[nH+]c1 ZINC000097347642 564907727 /nfs/dbraw/zinc/90/77/27/564907727.db2.gz GMQXPTDSXSKFMK-UHFFFAOYSA-N 1 2 386.193 3.288 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151494538 564922212 /nfs/dbraw/zinc/92/22/12/564922212.db2.gz VPWGPAQIPVQVJS-UHFFFAOYSA-N 1 2 395.257 3.075 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151494538 564922216 /nfs/dbraw/zinc/92/22/16/564922216.db2.gz VPWGPAQIPVQVJS-UHFFFAOYSA-N 1 2 395.257 3.075 20 5 GGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc(Br)cn1C ZINC000151541917 564925228 /nfs/dbraw/zinc/92/52/28/564925228.db2.gz HJGXLHSJINJTKH-LLVKDONJSA-N 1 2 395.257 3.155 20 5 GGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc(Br)cn1C ZINC000151541917 564925233 /nfs/dbraw/zinc/92/52/33/564925233.db2.gz HJGXLHSJINJTKH-LLVKDONJSA-N 1 2 395.257 3.155 20 5 GGBDLO Cn1cc(Br)cc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000151541073 564925594 /nfs/dbraw/zinc/92/55/94/564925594.db2.gz GHEVOQXXAZJBTG-UHFFFAOYSA-N 1 2 396.241 3.194 20 5 GGBDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000151541073 564925595 /nfs/dbraw/zinc/92/55/95/564925595.db2.gz GHEVOQXXAZJBTG-UHFFFAOYSA-N 1 2 396.241 3.194 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000102907575 564938890 /nfs/dbraw/zinc/93/88/90/564938890.db2.gz UHAFOENFWJXOCV-UHFFFAOYSA-N 1 2 378.797 3.235 20 5 GGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000369367221 565089659 /nfs/dbraw/zinc/08/96/59/565089659.db2.gz XFNXWOAUXNFLBU-UHFFFAOYSA-N 1 2 393.241 3.162 20 5 GGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncc([N+](=O)[O-])cc1Br ZINC000267224986 565110279 /nfs/dbraw/zinc/11/02/79/565110279.db2.gz JUXIXJDNDUJLCY-UHFFFAOYSA-N 1 2 394.151 3.148 20 5 GGBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)[nH+]c2)c(Br)c1 ZINC000267266705 565112544 /nfs/dbraw/zinc/11/25/44/565112544.db2.gz RJMDVENMBPLPJA-UHFFFAOYSA-N 1 2 378.230 3.360 20 5 GGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267385742 565117132 /nfs/dbraw/zinc/11/71/32/565117132.db2.gz LHYKPXNEZRANRH-UHFFFAOYSA-N 1 2 376.722 3.279 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000268410242 565150382 /nfs/dbraw/zinc/15/03/82/565150382.db2.gz YEHIBILYZVMTNR-ABAIWWIYSA-N 1 2 393.241 3.277 20 5 GGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1Br ZINC000184753835 565155676 /nfs/dbraw/zinc/15/56/76/565155676.db2.gz BSCYUBDHFJQUCO-UHFFFAOYSA-N 1 2 393.241 3.374 20 5 GGBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000184986592 565168680 /nfs/dbraw/zinc/16/86/80/565168680.db2.gz XMJNTHYDYLFTKQ-SECBINFHSA-N 1 2 399.270 3.412 20 5 GGBDLO Cc1c(Br)cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000371044293 565173935 /nfs/dbraw/zinc/17/39/35/565173935.db2.gz QIDDGFIKAGXHRC-NSHDSACASA-N 1 2 393.241 3.029 20 5 GGBDLO O=[N+]([O-])c1cncc(Br)c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000270958609 565233247 /nfs/dbraw/zinc/23/32/47/565233247.db2.gz NRIAYFMMUMLDFM-UHFFFAOYSA-N 1 2 378.230 3.360 20 5 GGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)C1 ZINC000272702786 565294318 /nfs/dbraw/zinc/29/43/18/565294318.db2.gz WNZOPHYQRJUDNJ-ZDUSSCGKSA-N 1 2 397.229 3.189 20 5 GGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)C1 ZINC000272702786 565294323 /nfs/dbraw/zinc/29/43/23/565294323.db2.gz WNZOPHYQRJUDNJ-ZDUSSCGKSA-N 1 2 397.229 3.189 20 5 GGBDLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3Br)sc2C1 ZINC000272779277 565297167 /nfs/dbraw/zinc/29/71/67/565297167.db2.gz XZZLHSVIJQRFFB-UHFFFAOYSA-N 1 2 397.254 3.054 20 5 GGBDLO C[N@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3Br)sc2C1 ZINC000272779277 565297173 /nfs/dbraw/zinc/29/71/73/565297173.db2.gz XZZLHSVIJQRFFB-UHFFFAOYSA-N 1 2 397.254 3.054 20 5 GGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000296310012 565311269 /nfs/dbraw/zinc/31/12/69/565311269.db2.gz RISBDJBIQYWTQB-LLVKDONJSA-N 1 2 399.270 3.376 20 5 GGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273179149 565312043 /nfs/dbraw/zinc/31/20/43/565312043.db2.gz JKQKBYCYDOBOCT-NSHDSACASA-N 1 2 380.857 3.470 20 5 GGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(c3scnc3Br)CC2)c1 ZINC000374040393 565317908 /nfs/dbraw/zinc/31/79/08/565317908.db2.gz RIINJYSQFFIHKH-UHFFFAOYSA-N 1 2 398.282 3.297 20 5 GGBDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000162494732 565318838 /nfs/dbraw/zinc/31/88/38/565318838.db2.gz WATRRYAQCXOFFB-UHFFFAOYSA-N 1 2 396.241 3.137 20 5 GGBDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000162494732 565318840 /nfs/dbraw/zinc/31/88/40/565318840.db2.gz WATRRYAQCXOFFB-UHFFFAOYSA-N 1 2 396.241 3.137 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1Br ZINC000274446221 565370752 /nfs/dbraw/zinc/37/07/52/565370752.db2.gz DDKMDXIXMHBEHH-UHFFFAOYSA-N 1 2 387.299 3.455 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCSC3(CCOCC3)C2)ccc1Br ZINC000274446221 565370760 /nfs/dbraw/zinc/37/07/60/565370760.db2.gz DDKMDXIXMHBEHH-UHFFFAOYSA-N 1 2 387.299 3.455 20 5 GGBDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000171758624 565449818 /nfs/dbraw/zinc/44/98/18/565449818.db2.gz RICYSDYHQIHKRV-BMIGLBTASA-N 1 2 378.226 3.235 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000301056487 565460977 /nfs/dbraw/zinc/46/09/77/565460977.db2.gz AFBRABKPBSCUDY-UHFFFAOYSA-N 1 2 393.241 3.201 20 5 GGBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Sc1[nH+]cc2ccccn21 ZINC000301247137 565474595 /nfs/dbraw/zinc/47/45/95/565474595.db2.gz OKSIWQKDOMEMOD-UHFFFAOYSA-N 1 2 385.373 3.390 20 5 GGBDLO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000301357266 565481817 /nfs/dbraw/zinc/48/18/17/565481817.db2.gz OYXAGMRYDSSEOA-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](c2ccccc2)C1 ZINC000301549288 565495050 /nfs/dbraw/zinc/49/50/50/565495050.db2.gz QHUXWZAHHUITFP-HNNXBMFYSA-N 1 2 377.242 3.245 20 5 GGBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](c2ccccc2)C1 ZINC000301549288 565495056 /nfs/dbraw/zinc/49/50/56/565495056.db2.gz QHUXWZAHHUITFP-HNNXBMFYSA-N 1 2 377.242 3.245 20 5 GGBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)cc1Cl ZINC000377835664 565500946 /nfs/dbraw/zinc/50/09/46/565500946.db2.gz VRENXGKBKVLNDU-SNVBAGLBSA-N 1 2 391.236 3.151 20 5 GGBDLO O=[N+]([O-])c1cncc(Br)c1NCC[N@@H+]1CCc2ccccc2C1 ZINC000301832682 565511537 /nfs/dbraw/zinc/51/15/37/565511537.db2.gz JFNASDTWSUPZEH-UHFFFAOYSA-N 1 2 377.242 3.223 20 5 GGBDLO O=[N+]([O-])c1cncc(Br)c1NCC[N@H+]1CCc2ccccc2C1 ZINC000301832682 565511539 /nfs/dbraw/zinc/51/15/39/565511539.db2.gz JFNASDTWSUPZEH-UHFFFAOYSA-N 1 2 377.242 3.223 20 5 GGBDLO O=[N+]([O-])c1cncc(Br)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000301848763 565513973 /nfs/dbraw/zinc/51/39/73/565513973.db2.gz VPHHMQKXBNODRO-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO O=[N+]([O-])c1ccsc1N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000301995907 565524102 /nfs/dbraw/zinc/52/41/02/565524102.db2.gz PQPWETPGIMYEGZ-UHFFFAOYSA-N 1 2 377.857 3.280 20 5 GGBDLO Cc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302678750 565549948 /nfs/dbraw/zinc/54/99/48/565549948.db2.gz NYQZVWSGUDOGHY-UHFFFAOYSA-N 1 2 392.257 3.091 20 5 GGBDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173964367 565601808 /nfs/dbraw/zinc/60/18/08/565601808.db2.gz SHCYRJLYYQDESU-VFZGTOFNSA-N 1 2 396.216 3.374 20 5 GGBDLO O=C(CC[N@@H+]1CCSC[C@H]1c1nccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411550020 565736030 /nfs/dbraw/zinc/73/60/30/565736030.db2.gz IUWRRFKTOLDBPB-AWEZNQCLSA-N 1 2 378.479 3.170 20 5 GGBDLO O=C(CC[N@H+]1CCSC[C@H]1c1nccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411550020 565736033 /nfs/dbraw/zinc/73/60/33/565736033.db2.gz IUWRRFKTOLDBPB-AWEZNQCLSA-N 1 2 378.479 3.170 20 5 GGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc[nH+]1 ZINC000193827557 565777879 /nfs/dbraw/zinc/77/78/79/565777879.db2.gz HTKRMPHFEJROSR-UHFFFAOYSA-N 1 2 397.172 3.464 20 5 GGBDLO O=C(CC[N@@H+]1CCSC[C@@H]1c1nccs1)Nc1ccccc1[N+](=O)[O-] ZINC000283228728 565812560 /nfs/dbraw/zinc/81/25/60/565812560.db2.gz IMRRUSVFVXFKEI-CQSZACIVSA-N 1 2 378.479 3.170 20 5 GGBDLO O=C(CC[N@H+]1CCSC[C@@H]1c1nccs1)Nc1ccccc1[N+](=O)[O-] ZINC000283228728 565812562 /nfs/dbraw/zinc/81/25/62/565812562.db2.gz IMRRUSVFVXFKEI-CQSZACIVSA-N 1 2 378.479 3.170 20 5 GGBDLO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177537808 565858500 /nfs/dbraw/zinc/85/85/00/565858500.db2.gz AGDAQDXWVSTCBK-RYUDHWBXSA-N 1 2 382.258 3.418 20 5 GGBDLO Cc1noc(CCC[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000284844549 565873861 /nfs/dbraw/zinc/87/38/61/565873861.db2.gz REAWNVMRDFBMOA-UHFFFAOYSA-N 1 2 381.230 3.040 20 5 GGBDLO Cc1noc(CCC[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000284844549 565873866 /nfs/dbraw/zinc/87/38/66/565873866.db2.gz REAWNVMRDFBMOA-UHFFFAOYSA-N 1 2 381.230 3.040 20 5 GGBDLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000414467507 565939170 /nfs/dbraw/zinc/93/91/70/565939170.db2.gz IKYXPULIPDPICL-CQSZACIVSA-N 1 2 380.491 3.439 20 5 GGBDLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000414467507 565939173 /nfs/dbraw/zinc/93/91/73/565939173.db2.gz IKYXPULIPDPICL-CQSZACIVSA-N 1 2 380.491 3.439 20 5 GGBDLO Cc1c(Br)cc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000178803631 565939162 /nfs/dbraw/zinc/93/91/62/565939162.db2.gz GWPFNIKRQHKCIK-UHFFFAOYSA-N 1 2 379.214 3.379 20 5 GGBDLO C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000179218383 565966608 /nfs/dbraw/zinc/96/66/08/565966608.db2.gz IYYWLAKPQITKSO-BONVTDFDSA-N 1 2 378.226 3.235 20 5 GGBDLO C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000179218404 565966619 /nfs/dbraw/zinc/96/66/19/565966619.db2.gz IYYWLAKPQITKSO-ZUZCIYMTSA-N 1 2 378.226 3.235 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000364021246 566030817 /nfs/dbraw/zinc/03/08/17/566030817.db2.gz IJRGTOOQICRGEM-LBPRGKRZSA-N 1 2 393.241 3.029 20 5 GGBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000180554737 566072246 /nfs/dbraw/zinc/07/22/46/566072246.db2.gz HTBUMDNIADJTOR-LBPRGKRZSA-N 1 2 379.214 3.448 20 5 GGBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(F)(F)F ZINC000289365601 566120157 /nfs/dbraw/zinc/12/01/57/566120157.db2.gz AQDCONQLCSMTQS-JTQLQIEISA-N 1 2 379.766 3.139 20 5 GGBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(F)(F)F ZINC000289365601 566120158 /nfs/dbraw/zinc/12/01/58/566120158.db2.gz AQDCONQLCSMTQS-JTQLQIEISA-N 1 2 379.766 3.139 20 5 GGBDLO C[N@H+](CCc1ccc(Cl)cc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181882064 566170774 /nfs/dbraw/zinc/17/07/74/566170774.db2.gz BAGOSOHITWYRKA-UHFFFAOYSA-N 1 2 382.869 3.196 20 5 GGBDLO C[N@@H+](CCc1ccc(Cl)cc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181882064 566170781 /nfs/dbraw/zinc/17/07/81/566170781.db2.gz BAGOSOHITWYRKA-UHFFFAOYSA-N 1 2 382.869 3.196 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000181979991 566175993 /nfs/dbraw/zinc/17/59/93/566175993.db2.gz UPRSIBRRJSSRJY-UHFFFAOYSA-N 1 2 380.388 3.033 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000181979991 566175998 /nfs/dbraw/zinc/17/59/98/566175998.db2.gz UPRSIBRRJSSRJY-UHFFFAOYSA-N 1 2 380.388 3.033 20 5 GGBDLO CCc1nsc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000182205876 566188966 /nfs/dbraw/zinc/18/89/66/566188966.db2.gz DVGVDKMDMNILSZ-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO CCc1nsc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000182205876 566188968 /nfs/dbraw/zinc/18/89/68/566188968.db2.gz DVGVDKMDMNILSZ-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000182510850 566208631 /nfs/dbraw/zinc/20/86/31/566208631.db2.gz PJTIBWXDRGMSCE-UHFFFAOYSA-N 1 2 380.857 3.401 20 5 GGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCNc1cccc[nH+]1 ZINC000183075551 566237357 /nfs/dbraw/zinc/23/73/57/566237357.db2.gz USXBYUHIKNUKLW-UHFFFAOYSA-N 1 2 380.857 3.354 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265829488 566242525 /nfs/dbraw/zinc/24/25/25/566242525.db2.gz SPENUNGBDPNVAJ-JTQLQIEISA-N 1 2 379.214 3.100 20 5 GGBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCOCC2)c(Br)c1 ZINC000266073713 566245691 /nfs/dbraw/zinc/24/56/91/566245691.db2.gz JHJLVLDSDQZDTP-UHFFFAOYSA-N 1 2 393.241 3.201 20 5 GGBDLO O=C(NCCCCNc1cccc[nH+]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599354937 566254396 /nfs/dbraw/zinc/25/43/96/566254396.db2.gz YYUCHFVYVXIMDQ-UHFFFAOYSA-N 1 2 393.241 3.374 20 5 GGBDLO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000481862823 566258227 /nfs/dbraw/zinc/25/82/27/566258227.db2.gz BUDSGPFVJSJTEP-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO C[C@H]1c2cccc(Br)c2CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000509493398 566310226 /nfs/dbraw/zinc/31/02/26/566310226.db2.gz PSIIWKZKLVGXJQ-LBPRGKRZSA-N 1 2 392.253 3.138 20 5 GGBDLO C[C@H]1c2cccc(Br)c2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000509493398 566310240 /nfs/dbraw/zinc/31/02/40/566310240.db2.gz PSIIWKZKLVGXJQ-LBPRGKRZSA-N 1 2 392.253 3.138 20 5 GGBDLO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ncc1Br ZINC000600116135 566315528 /nfs/dbraw/zinc/31/55/28/566315528.db2.gz LASKDIRAKLOYDO-LBPRGKRZSA-N 1 2 392.257 3.142 20 5 GGBDLO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ncc1Br ZINC000600116135 566315538 /nfs/dbraw/zinc/31/55/38/566315538.db2.gz LASKDIRAKLOYDO-LBPRGKRZSA-N 1 2 392.257 3.142 20 5 GGBDLO O=C(Nc1c[nH+]ccc1-n1cccn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446034451 566324192 /nfs/dbraw/zinc/32/41/92/566324192.db2.gz YKLBQRUTULWCMP-UHFFFAOYSA-N 1 2 394.210 3.252 20 5 GGBDLO CCCC[N@@H+]1CCCC[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000535798594 566327635 /nfs/dbraw/zinc/32/76/35/566327635.db2.gz QIBTWQUVKLBGQE-GFCCVEGCSA-N 1 2 375.516 3.126 20 5 GGBDLO CCCC[N@H+]1CCCC[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000535798594 566327641 /nfs/dbraw/zinc/32/76/41/566327641.db2.gz QIBTWQUVKLBGQE-GFCCVEGCSA-N 1 2 375.516 3.126 20 5 GGBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Br)cn1 ZINC000482976394 566347242 /nfs/dbraw/zinc/34/72/42/566347242.db2.gz HRHBCCAFJUVNAL-VIFPVBQESA-N 1 2 376.214 3.479 20 5 GGBDLO Cc1ccncc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000482984266 566348636 /nfs/dbraw/zinc/34/86/36/566348636.db2.gz WQLABBORBFMNIK-UHFFFAOYSA-N 1 2 393.241 3.131 20 5 GGBDLO Cc1ccncc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000482984266 566348641 /nfs/dbraw/zinc/34/86/41/566348641.db2.gz WQLABBORBFMNIK-UHFFFAOYSA-N 1 2 393.241 3.131 20 5 GGBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000447063461 566382869 /nfs/dbraw/zinc/38/28/69/566382869.db2.gz MKFAGRWZYJGZCT-UHFFFAOYSA-N 1 2 394.396 3.368 20 5 GGBDLO Cc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc(C)[nH+]1 ZINC000421573523 566386243 /nfs/dbraw/zinc/38/62/43/566386243.db2.gz AXCPDLOKCROCPR-UHFFFAOYSA-N 1 2 378.226 3.228 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(Br)cs3)CC2)cn1 ZINC000536638032 566388816 /nfs/dbraw/zinc/38/88/16/566388816.db2.gz PGRFBLWPUOQANT-UHFFFAOYSA-N 1 2 383.271 3.136 20 5 GGBDLO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000536746055 566398107 /nfs/dbraw/zinc/39/81/07/566398107.db2.gz VHEBQFMLLYHZKL-ZWNOBZJWSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000536746055 566398116 /nfs/dbraw/zinc/39/81/16/566398116.db2.gz VHEBQFMLLYHZKL-ZWNOBZJWSA-N 1 2 385.251 3.078 20 5 GGBDLO O=[N+]([O-])c1sc(CN2CC[NH+](Cc3ccccn3)CC2)cc1Br ZINC000602430443 566470316 /nfs/dbraw/zinc/47/03/16/566470316.db2.gz MVUJPBUCMSIGOG-UHFFFAOYSA-N 1 2 397.298 3.132 20 5 GGBDLO CCC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000602433980 566470576 /nfs/dbraw/zinc/47/05/76/566470576.db2.gz NDBSGGBJVFDUOE-ZDUSSCGKSA-N 1 2 380.388 3.013 20 5 GGBDLO CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000602433980 566470582 /nfs/dbraw/zinc/47/05/82/566470582.db2.gz NDBSGGBJVFDUOE-ZDUSSCGKSA-N 1 2 380.388 3.013 20 5 GGBDLO CO[C@]1(C)CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577905102 566474205 /nfs/dbraw/zinc/47/42/05/566474205.db2.gz LRJJGSYRLGLCMO-CQSZACIVSA-N 1 2 390.221 3.200 20 5 GGBDLO CO[C@]1(C)CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577905102 566474210 /nfs/dbraw/zinc/47/42/10/566474210.db2.gz LRJJGSYRLGLCMO-CQSZACIVSA-N 1 2 390.221 3.200 20 5 GGBDLO CCOCCO[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602482455 566474272 /nfs/dbraw/zinc/47/42/72/566474272.db2.gz CAOWZOCTMKKLCT-JTQLQIEISA-N 1 2 379.276 3.046 20 5 GGBDLO CCOCCO[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602482455 566474276 /nfs/dbraw/zinc/47/42/76/566474276.db2.gz CAOWZOCTMKKLCT-JTQLQIEISA-N 1 2 379.276 3.046 20 5 GGBDLO O=[N+]([O-])c1sc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1Br ZINC000602655329 566485656 /nfs/dbraw/zinc/48/56/56/566485656.db2.gz JUOJPBVIUPMSEE-OAHLLOKOSA-N 1 2 399.266 3.179 20 5 GGBDLO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)o1 ZINC000602657616 566485845 /nfs/dbraw/zinc/48/58/45/566485845.db2.gz OUJMGCZNXMPKMM-UHFFFAOYSA-N 1 2 389.227 3.478 20 5 GGBDLO O=[N+]([O-])c1sc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1Br ZINC000602655326 566485997 /nfs/dbraw/zinc/48/59/97/566485997.db2.gz JUOJPBVIUPMSEE-HNNXBMFYSA-N 1 2 399.266 3.179 20 5 GGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(Br)ccc(Cl)c3C2)c1 ZINC000464575932 566487644 /nfs/dbraw/zinc/48/76/44/566487644.db2.gz CMHHNZQTHWLMDC-UHFFFAOYSA-N 1 2 385.649 3.266 20 5 GGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(Br)ccc(Cl)c3C2)c1 ZINC000464575932 566487652 /nfs/dbraw/zinc/48/76/52/566487652.db2.gz CMHHNZQTHWLMDC-UHFFFAOYSA-N 1 2 385.649 3.266 20 5 GGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1C ZINC000602712766 566489775 /nfs/dbraw/zinc/48/97/75/566489775.db2.gz GAOFGAZKVJPDJT-WCBMZHEXSA-N 1 2 377.260 3.050 20 5 GGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1C ZINC000602712766 566489782 /nfs/dbraw/zinc/48/97/82/566489782.db2.gz GAOFGAZKVJPDJT-WCBMZHEXSA-N 1 2 377.260 3.050 20 5 GGBDLO CSc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000486113136 566559516 /nfs/dbraw/zinc/55/95/16/566559516.db2.gz BIHUERXJIGDXRS-UHFFFAOYSA-N 1 2 377.491 3.336 20 5 GGBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CCC(CF)CC2)c1 ZINC000449452531 566564149 /nfs/dbraw/zinc/56/41/49/566564149.db2.gz GDCHCIWIUOBZSE-UHFFFAOYSA-N 1 2 378.185 3.381 20 5 GGBDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425393223 566638258 /nfs/dbraw/zinc/63/82/58/566638258.db2.gz IHRZEDMJQHXTER-ZDUSSCGKSA-N 1 2 398.301 3.342 20 5 GGBDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425393223 566638267 /nfs/dbraw/zinc/63/82/67/566638267.db2.gz IHRZEDMJQHXTER-ZDUSSCGKSA-N 1 2 398.301 3.342 20 5 GGBDLO Cc1noc(C2CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)n1 ZINC000425406564 566639976 /nfs/dbraw/zinc/63/99/76/566639976.db2.gz MSZIZGUELRZUFB-UHFFFAOYSA-N 1 2 381.230 3.428 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000425481412 566648555 /nfs/dbraw/zinc/64/85/55/566648555.db2.gz PTTUWDQJYKHXSQ-GXFFZTMASA-N 1 2 397.191 3.493 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000425481412 566648557 /nfs/dbraw/zinc/64/85/57/566648557.db2.gz PTTUWDQJYKHXSQ-GXFFZTMASA-N 1 2 397.191 3.493 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000514876024 566677051 /nfs/dbraw/zinc/67/70/51/566677051.db2.gz DFOWIKDYKSECJX-UHFFFAOYSA-N 1 2 393.241 3.057 20 5 GGBDLO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2ncccc2F)c1 ZINC000562071630 566762287 /nfs/dbraw/zinc/76/22/87/566762287.db2.gz ITTKILAEBHJOIG-UHFFFAOYSA-N 1 2 387.152 3.023 20 5 GGBDLO CO[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000581517204 566784502 /nfs/dbraw/zinc/78/45/02/566784502.db2.gz SQQIFKCNDNXDLK-YGRLFVJLSA-N 1 2 390.221 3.199 20 5 GGBDLO CO[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000581517204 566784498 /nfs/dbraw/zinc/78/44/98/566784498.db2.gz SQQIFKCNDNXDLK-YGRLFVJLSA-N 1 2 390.221 3.199 20 5 GGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451293696 566792071 /nfs/dbraw/zinc/79/20/71/566792071.db2.gz IECPMULJPPANHB-UHFFFAOYSA-N 1 2 375.376 3.183 20 5 GGBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000581637528 566795079 /nfs/dbraw/zinc/79/50/79/566795079.db2.gz APQVNXKAFXSWOY-SNVBAGLBSA-N 1 2 376.240 3.199 20 5 GGBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000581637528 566795083 /nfs/dbraw/zinc/79/50/83/566795083.db2.gz APQVNXKAFXSWOY-SNVBAGLBSA-N 1 2 376.240 3.199 20 5 GGBDLO Cc1[nH+]c2ccccc2n1CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000542507048 566807429 /nfs/dbraw/zinc/80/74/29/566807429.db2.gz GVJKPKMNRMYIGO-UHFFFAOYSA-N 1 2 390.241 3.253 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000581879680 566812128 /nfs/dbraw/zinc/81/21/28/566812128.db2.gz UZEKTRAUMFDIKE-SNVBAGLBSA-N 1 2 377.249 3.493 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000428995302 566896685 /nfs/dbraw/zinc/89/66/85/566896685.db2.gz AAJBQBQLVPIXEN-HNNXBMFYSA-N 1 2 399.216 3.328 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429018534 566901185 /nfs/dbraw/zinc/90/11/85/566901185.db2.gz IQZUNDNQGSTPSD-OAHLLOKOSA-N 1 2 399.216 3.328 20 5 GGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429022443 566901325 /nfs/dbraw/zinc/90/13/25/566901325.db2.gz SEOXFSBPEKIFFF-AWEZNQCLSA-N 1 2 387.180 3.459 20 5 GGBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451927970 566910104 /nfs/dbraw/zinc/91/01/04/566910104.db2.gz CRGAAEKAXZVVQS-NSHDSACASA-N 1 2 396.296 3.006 20 5 GGBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451927970 566910109 /nfs/dbraw/zinc/91/01/09/566910109.db2.gz CRGAAEKAXZVVQS-NSHDSACASA-N 1 2 396.296 3.006 20 5 GGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000582969673 566910222 /nfs/dbraw/zinc/91/02/22/566910222.db2.gz COWDRGYEKPSZKQ-UHFFFAOYSA-N 1 2 381.226 3.057 20 5 GGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000582969673 566910228 /nfs/dbraw/zinc/91/02/28/566910228.db2.gz COWDRGYEKPSZKQ-UHFFFAOYSA-N 1 2 381.226 3.057 20 5 GGBDLO CSc1ccccc1C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000471023741 566921361 /nfs/dbraw/zinc/92/13/61/566921361.db2.gz VTQAURYQPAOIIN-UHFFFAOYSA-N 1 2 380.491 3.222 20 5 GGBDLO CSc1ccccc1C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000471023741 566921367 /nfs/dbraw/zinc/92/13/67/566921367.db2.gz VTQAURYQPAOIIN-UHFFFAOYSA-N 1 2 380.491 3.222 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)ccc3Br)CC2)cn1 ZINC000519160625 566924046 /nfs/dbraw/zinc/92/40/46/566924046.db2.gz SKIRIMATEPUTPQ-UHFFFAOYSA-N 1 2 395.232 3.214 20 5 GGBDLO O=c1c(Br)cn(CCCc2[nH]c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000583299527 566937397 /nfs/dbraw/zinc/93/73/97/566937397.db2.gz DUFPEFJBECTLCK-UHFFFAOYSA-N 1 2 377.198 3.028 20 5 GGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612121815 566955169 /nfs/dbraw/zinc/95/51/69/566955169.db2.gz OVLLSDXIMNKHRA-RYUDHWBXSA-N 1 2 380.388 3.031 20 5 GGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612121815 566955174 /nfs/dbraw/zinc/95/51/74/566955174.db2.gz OVLLSDXIMNKHRA-RYUDHWBXSA-N 1 2 380.388 3.031 20 5 GGBDLO Cc1c(Br)c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000544394532 566959633 /nfs/dbraw/zinc/95/96/33/566959633.db2.gz CXPGXGVGNBHHIX-GWCFXTLKSA-N 1 2 380.246 3.345 20 5 GGBDLO Cc1c(Br)c(N2CC[NH+](Cc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000612437932 566973309 /nfs/dbraw/zinc/97/33/09/566973309.db2.gz VSCVZRFBWNUDJR-UHFFFAOYSA-N 1 2 397.298 3.444 20 5 GGBDLO Cc1nn(C)c(NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000544700564 566983305 /nfs/dbraw/zinc/98/33/05/566983305.db2.gz BEUUDKCNJLWTKJ-UHFFFAOYSA-N 1 2 393.245 3.010 20 5 GGBDLO C[C@H](Cn1cc[nH+]c1)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000564558515 566987567 /nfs/dbraw/zinc/98/75/67/566987567.db2.gz JAYLQXWKTKNSII-SNVBAGLBSA-N 1 2 376.214 3.025 20 5 GGBDLO Cc1cc(Br)cn2cc(CNc3ncc([N+](=O)[O-])cc3C)[nH+]c12 ZINC000545345274 567039693 /nfs/dbraw/zinc/03/96/93/567039693.db2.gz YSCMCZJUVICURD-UHFFFAOYSA-N 1 2 376.214 3.051 20 5 GGBDLO COc1cc[nH+]cc1COc1ccc(I)cc1[N+](=O)[O-] ZINC000565386383 567063507 /nfs/dbraw/zinc/06/35/07/567063507.db2.gz SMCBOMDVZMUDRO-UHFFFAOYSA-N 1 2 386.145 3.182 20 5 GGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000453580446 567092810 /nfs/dbraw/zinc/09/28/10/567092810.db2.gz UCOXRTHTWDLBPA-UHFFFAOYSA-N 1 2 383.271 3.136 20 5 GGBDLO Cc1ccn2cc(CNC(=O)c3cc(Br)cc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000431775758 567107633 /nfs/dbraw/zinc/10/76/33/567107633.db2.gz KPISZOYZDMWTBC-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000473948557 567118820 /nfs/dbraw/zinc/11/88/20/567118820.db2.gz XXWXGDDUIWILAW-SNVBAGLBSA-N 1 2 396.296 3.054 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000566139761 567130413 /nfs/dbraw/zinc/13/04/13/567130413.db2.gz JQYDMFJESFSSDA-CYBMUJFWSA-N 1 2 399.285 3.375 20 5 GGBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000497979444 567138680 /nfs/dbraw/zinc/13/86/80/567138680.db2.gz VAOQJUXKVSFQTQ-NXEZZACHSA-N 1 2 396.296 3.005 20 5 GGBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000497979444 567138686 /nfs/dbraw/zinc/13/86/86/567138686.db2.gz VAOQJUXKVSFQTQ-NXEZZACHSA-N 1 2 396.296 3.005 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000566229292 567140447 /nfs/dbraw/zinc/14/04/47/567140447.db2.gz OAJWPFINVMZSRN-UHFFFAOYSA-N 1 2 382.829 3.044 20 5 GGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546586235 567141297 /nfs/dbraw/zinc/14/12/97/567141297.db2.gz GLJCKIYMMWZCIX-UHFFFAOYSA-N 1 2 377.242 3.380 20 5 GGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546586235 567141301 /nfs/dbraw/zinc/14/13/01/567141301.db2.gz GLJCKIYMMWZCIX-UHFFFAOYSA-N 1 2 377.242 3.380 20 5 GGBDLO Cc1cc(Br)cn2cc(CCNc3cc(C)c([N+](=O)[O-])cn3)[nH+]c12 ZINC000546761905 567154832 /nfs/dbraw/zinc/15/48/32/567154832.db2.gz OMUFBFKMTOBFOC-UHFFFAOYSA-N 1 2 390.241 3.093 20 5 GGBDLO CC[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000566943460 567204416 /nfs/dbraw/zinc/20/44/16/567204416.db2.gz RUVHFSSFTMLUEQ-AWEZNQCLSA-N 1 2 390.221 3.200 20 5 GGBDLO CC[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000566943460 567204423 /nfs/dbraw/zinc/20/44/23/567204423.db2.gz RUVHFSSFTMLUEQ-AWEZNQCLSA-N 1 2 390.221 3.200 20 5 GGBDLO CCCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000591840807 567300689 /nfs/dbraw/zinc/30/06/89/567300689.db2.gz RGZGIMDFMDBSOO-UHFFFAOYSA-N 1 2 384.274 3.238 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000591845463 567301700 /nfs/dbraw/zinc/30/17/00/567301700.db2.gz XXJPVMUZRVXIAE-UHFFFAOYSA-N 1 2 387.299 3.455 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000591845463 567301704 /nfs/dbraw/zinc/30/17/04/567301704.db2.gz XXJPVMUZRVXIAE-UHFFFAOYSA-N 1 2 387.299 3.455 20 5 GGBDLO Cc1c(Br)c(=O)n(Cc2[nH+]ccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000434649341 567319186 /nfs/dbraw/zinc/31/91/86/567319186.db2.gz XCNRPHQJXRJITA-UHFFFAOYSA-N 1 2 389.209 3.061 20 5 GGBDLO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434908315 567334927 /nfs/dbraw/zinc/33/49/27/567334927.db2.gz ZNWNLUQTJUZBAS-QMTHXVAHSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434908315 567334932 /nfs/dbraw/zinc/33/49/32/567334932.db2.gz ZNWNLUQTJUZBAS-QMTHXVAHSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434908314 567335021 /nfs/dbraw/zinc/33/50/21/567335021.db2.gz ZNWNLUQTJUZBAS-IINYFYTJSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434908314 567335027 /nfs/dbraw/zinc/33/50/27/567335027.db2.gz ZNWNLUQTJUZBAS-IINYFYTJSA-N 1 2 385.251 3.078 20 5 GGBDLO Cc1cc(Br)cn2cc(CCNc3ccc([N+](=O)[O-])c(C)n3)[nH+]c12 ZINC000548691782 567343524 /nfs/dbraw/zinc/34/35/24/567343524.db2.gz RKVSKCCSIDOCMU-UHFFFAOYSA-N 1 2 390.241 3.093 20 5 GGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500789170 567345754 /nfs/dbraw/zinc/34/57/54/567345754.db2.gz YDWHQCFUPJPWRU-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456349533 567365331 /nfs/dbraw/zinc/36/53/31/567365331.db2.gz ADZPXECXTWIRGB-OQPBUACISA-N 1 2 379.214 3.298 20 5 GGBDLO Cc1c(Br)cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456420962 567374368 /nfs/dbraw/zinc/37/43/68/567374368.db2.gz MWOSEGYNGZJUDI-PELKAZGASA-N 1 2 379.214 3.298 20 5 GGBDLO O=[N+]([O-])c1cc(I)ccc1NCc1ccn2cc[nH+]c2c1 ZINC000549143333 567375831 /nfs/dbraw/zinc/37/58/31/567375831.db2.gz YHALHLMTVHRXGB-UHFFFAOYSA-N 1 2 394.172 3.459 20 5 GGBDLO CN(Cc1[nH+]ccn1C)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502391887 567431008 /nfs/dbraw/zinc/43/10/08/567431008.db2.gz KQYPUEWQAREDFS-UHFFFAOYSA-N 1 2 376.214 3.275 20 5 GGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457289446 567453931 /nfs/dbraw/zinc/45/39/31/567453931.db2.gz KUXODVXWFFPJEZ-VIFPVBQESA-N 1 2 384.845 3.172 20 5 GGBDLO C[NH+](C)Cc1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000457314154 567456493 /nfs/dbraw/zinc/45/64/93/567456493.db2.gz MVAZPJKDOKSRDR-UHFFFAOYSA-N 1 2 399.270 3.057 20 5 GGBDLO Cc1noc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c1[N+](=O)[O-] ZINC000595360558 567559446 /nfs/dbraw/zinc/55/94/46/567559446.db2.gz VYBXZVPGOKOZCW-UHFFFAOYSA-N 1 2 396.241 3.449 20 5 GGBDLO Cc1noc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)c1[N+](=O)[O-] ZINC000595413665 567562059 /nfs/dbraw/zinc/56/20/59/567562059.db2.gz FGTSWBHGMCEWLK-MRVPVSSYSA-N 1 2 398.213 3.276 20 5 GGBDLO Cc1noc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595465308 567566744 /nfs/dbraw/zinc/56/67/44/567566744.db2.gz CBDFTMKOPWONIL-LLVKDONJSA-N 1 2 379.722 3.387 20 5 GGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])CCC2 ZINC000505899474 567603098 /nfs/dbraw/zinc/60/30/98/567603098.db2.gz RFISYSBHCKCEDF-LLVKDONJSA-N 1 2 393.241 3.170 20 5 GGBDLO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2c(s1)CCC2 ZINC000459638212 567644641 /nfs/dbraw/zinc/64/46/41/567644641.db2.gz SYYXJWKEZSBONU-VIFPVBQESA-N 1 2 380.857 3.483 20 5 GGBDLO Cc1c(Br)cncc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596989463 567668991 /nfs/dbraw/zinc/66/89/91/567668991.db2.gz SWQBXGRQMYTGFY-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000462068486 567764655 /nfs/dbraw/zinc/76/46/55/567764655.db2.gz AKUVBZYBLYDOQA-AWEZNQCLSA-N 1 2 380.491 3.332 20 5 GGBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000462068486 567764659 /nfs/dbraw/zinc/76/46/59/567764659.db2.gz AKUVBZYBLYDOQA-AWEZNQCLSA-N 1 2 380.491 3.332 20 5 GGBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000462068487 567764738 /nfs/dbraw/zinc/76/47/38/567764738.db2.gz AKUVBZYBLYDOQA-CQSZACIVSA-N 1 2 380.491 3.332 20 5 GGBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000462068487 567764741 /nfs/dbraw/zinc/76/47/41/567764741.db2.gz AKUVBZYBLYDOQA-CQSZACIVSA-N 1 2 380.491 3.332 20 5 GGBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555462840 567785177 /nfs/dbraw/zinc/78/51/77/567785177.db2.gz WRPSWWPDFPHYSP-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555462840 567785180 /nfs/dbraw/zinc/78/51/80/567785180.db2.gz WRPSWWPDFPHYSP-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO O=C(C[N@@H+]1CC[C@@H](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000555696640 567795577 /nfs/dbraw/zinc/79/55/77/567795577.db2.gz JUBZZKDUBCTLDL-LBPRGKRZSA-N 1 2 382.258 3.418 20 5 GGBDLO O=C(C[N@H+]1CC[C@@H](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000555696640 567795579 /nfs/dbraw/zinc/79/55/79/567795579.db2.gz JUBZZKDUBCTLDL-LBPRGKRZSA-N 1 2 382.258 3.418 20 5 GGBDLO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(Br)c1 ZINC000534336862 567808322 /nfs/dbraw/zinc/80/83/22/567808322.db2.gz QGVUDEHXARZXKK-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000033010973 570622747 /nfs/dbraw/zinc/62/27/47/570622747.db2.gz AWCUNECAUZRZDO-UHFFFAOYSA-N 1 2 399.447 3.137 20 5 GGBDLO CN(CCOc1ccc(F)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032788801 570810472 /nfs/dbraw/zinc/81/04/72/570810472.db2.gz JDXCCGSKNJYYPG-UHFFFAOYSA-N 1 2 384.367 3.071 20 5 GGBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015345272 570898600 /nfs/dbraw/zinc/89/86/00/570898600.db2.gz YAYIYICWGBGSBA-UHFFFAOYSA-N 1 2 394.475 3.153 20 5 GGBDLO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000012780565 571034056 /nfs/dbraw/zinc/03/40/56/571034056.db2.gz PWEPNOXRCSJMEM-UHFFFAOYSA-N 1 2 376.438 3.055 20 5 GGBDLO Cn1c2ccc(Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])cc2[nH+]c1C(C)(C)C ZINC000826355301 608018603 /nfs/dbraw/zinc/01/86/03/608018603.db2.gz SKRMIGPVOCNFNG-UHFFFAOYSA-N 1 2 393.411 3.098 20 5 GGBDLO COc1ccccc1C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000053238749 1406341107 /nfs/dbraw/zinc/34/11/07/1406341107.db2.gz ZFSPPLGHWPMSQF-UHFFFAOYSA-N 1 2 381.432 3.157 20 5 GGBDLO COc1ccccc1C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000053238749 1406341117 /nfs/dbraw/zinc/34/11/17/1406341117.db2.gz ZFSPPLGHWPMSQF-UHFFFAOYSA-N 1 2 381.432 3.157 20 5 GGBDLO COc1ccccc1C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000053238369 1406341401 /nfs/dbraw/zinc/34/14/01/1406341401.db2.gz HPICSAFQNLJEFG-UHFFFAOYSA-N 1 2 381.432 3.157 20 5 GGBDLO COc1ccccc1C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000053238369 1406341412 /nfs/dbraw/zinc/34/14/12/1406341412.db2.gz HPICSAFQNLJEFG-UHFFFAOYSA-N 1 2 381.432 3.157 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814922 1406522724 /nfs/dbraw/zinc/52/27/24/1406522724.db2.gz WSQJPTYMCAYCTB-AWEZNQCLSA-N 1 2 397.431 3.425 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814922 1406522738 /nfs/dbraw/zinc/52/27/38/1406522738.db2.gz WSQJPTYMCAYCTB-AWEZNQCLSA-N 1 2 397.431 3.425 20 5 GGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054220840 1406656642 /nfs/dbraw/zinc/65/66/42/1406656642.db2.gz DMSLKQGAQUKEDF-ZDUSSCGKSA-N 1 2 391.518 3.311 20 5 GGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054220840 1406656649 /nfs/dbraw/zinc/65/66/49/1406656649.db2.gz DMSLKQGAQUKEDF-ZDUSSCGKSA-N 1 2 391.518 3.311 20 5 GGBDLO O=C(Nc1ccccc1)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000007001063 1398583584 /nfs/dbraw/zinc/58/35/84/1398583584.db2.gz DNNKGRBYCHMCCY-UHFFFAOYSA-N 1 2 379.420 3.322 20 5 GGBDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007492626 1398689616 /nfs/dbraw/zinc/68/96/16/1398689616.db2.gz HUBHAXXPCPXQQW-SFHVURJKSA-N 1 2 396.491 3.154 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007902085 1398769470 /nfs/dbraw/zinc/76/94/70/1398769470.db2.gz LYUJVEZGKQXIHM-UHFFFAOYSA-N 1 2 395.362 3.275 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007902085 1398769476 /nfs/dbraw/zinc/76/94/76/1398769476.db2.gz LYUJVEZGKQXIHM-UHFFFAOYSA-N 1 2 395.362 3.275 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008319673 1398823434 /nfs/dbraw/zinc/82/34/34/1398823434.db2.gz WWFQMTAHQOIXED-GOSISDBHSA-N 1 2 397.431 3.450 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008319673 1398823436 /nfs/dbraw/zinc/82/34/36/1398823436.db2.gz WWFQMTAHQOIXED-GOSISDBHSA-N 1 2 397.431 3.450 20 5 GGBDLO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000014321549 1399098110 /nfs/dbraw/zinc/09/81/10/1399098110.db2.gz ZDKQSPMKZDGPNM-UHFFFAOYSA-N 1 2 393.443 3.079 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC000015045739 1399134791 /nfs/dbraw/zinc/13/47/91/1399134791.db2.gz LGQXQTWJGMWXHS-UHFFFAOYSA-N 1 2 391.399 3.082 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC000015045739 1399134798 /nfs/dbraw/zinc/13/47/98/1399134798.db2.gz LGQXQTWJGMWXHS-UHFFFAOYSA-N 1 2 391.399 3.082 20 5 GGBDLO C[N@H+](CCOc1ccccc1F)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000015047054 1399135315 /nfs/dbraw/zinc/13/53/15/1399135315.db2.gz ZADRCMUCBKPBFV-UHFFFAOYSA-N 1 2 381.791 3.337 20 5 GGBDLO C[N@@H+](CCOc1ccccc1F)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000015047054 1399135319 /nfs/dbraw/zinc/13/53/19/1399135319.db2.gz ZADRCMUCBKPBFV-UHFFFAOYSA-N 1 2 381.791 3.337 20 5 GGBDLO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015106042 1399140271 /nfs/dbraw/zinc/14/02/71/1399140271.db2.gz GSJHFHNAVBNTDL-UHFFFAOYSA-N 1 2 394.884 3.066 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550751 1399171327 /nfs/dbraw/zinc/17/13/27/1399171327.db2.gz SHZYTGUSXZVFRB-UHFFFAOYSA-N 1 2 396.447 3.192 20 5 GGBDLO Cc1cc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)nc(C(C)C)[nH+]1 ZINC000016103123 1399210023 /nfs/dbraw/zinc/21/00/23/1399210023.db2.gz RWXHEYPEVGKNHL-UHFFFAOYSA-N 1 2 383.452 3.087 20 5 GGBDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564758 1399249893 /nfs/dbraw/zinc/24/98/93/1399249893.db2.gz NZGNCANIXMYMAE-SFHVURJKSA-N 1 2 396.491 3.154 20 5 GGBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000016585142 1399251202 /nfs/dbraw/zinc/25/12/02/1399251202.db2.gz GEERZCKLALOOTE-UHFFFAOYSA-N 1 2 377.828 3.335 20 5 GGBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000016585142 1399251203 /nfs/dbraw/zinc/25/12/03/1399251203.db2.gz GEERZCKLALOOTE-UHFFFAOYSA-N 1 2 377.828 3.335 20 5 GGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357872 1399281464 /nfs/dbraw/zinc/28/14/64/1399281464.db2.gz IMINUQKCYUSWEQ-MRXNPFEDSA-N 1 2 385.489 3.420 20 5 GGBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000017371493 1399281946 /nfs/dbraw/zinc/28/19/46/1399281946.db2.gz FZMOAOUJJVJGNO-UHFFFAOYSA-N 1 2 383.448 3.178 20 5 GGBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018121519 1399301793 /nfs/dbraw/zinc/30/17/93/1399301793.db2.gz SRTSCWDNHYNSLC-UHFFFAOYSA-N 1 2 389.839 3.085 20 5 GGBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000018110453 1399301810 /nfs/dbraw/zinc/30/18/10/1399301810.db2.gz WRDNXSQTCWWRDA-UHFFFAOYSA-N 1 2 398.419 3.078 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022290051 1399450808 /nfs/dbraw/zinc/45/08/08/1399450808.db2.gz SVQPJAIUBFNNRP-UHFFFAOYSA-N 1 2 376.438 3.298 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000024107968 1399603890 /nfs/dbraw/zinc/60/38/90/1399603890.db2.gz WRSQPKMQAYEISB-UHFFFAOYSA-N 1 2 376.800 3.479 20 5 GGBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000024341722 1399622116 /nfs/dbraw/zinc/62/21/16/1399622116.db2.gz VUDGGTIODFVDAV-HNNXBMFYSA-N 1 2 387.465 3.098 20 5 GGBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(Cl)c1 ZINC000024812139 1399674482 /nfs/dbraw/zinc/67/44/82/1399674482.db2.gz JJBFYZOWZZNSGF-UHFFFAOYSA-N 1 2 377.784 3.047 20 5 GGBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(Cl)c1 ZINC000024812139 1399674489 /nfs/dbraw/zinc/67/44/89/1399674489.db2.gz JJBFYZOWZZNSGF-UHFFFAOYSA-N 1 2 377.784 3.047 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024821991 1399676959 /nfs/dbraw/zinc/67/69/59/1399676959.db2.gz UFGLLYYHVAFNLF-LBPRGKRZSA-N 1 2 375.406 3.161 20 5 GGBDLO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024821991 1399676966 /nfs/dbraw/zinc/67/69/66/1399676966.db2.gz UFGLLYYHVAFNLF-LBPRGKRZSA-N 1 2 375.406 3.161 20 5 GGBDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556387 1399819563 /nfs/dbraw/zinc/81/95/63/1399819563.db2.gz IBRLFWFUZHCIBC-ZWKOTPCHSA-N 1 2 396.491 3.291 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000027515940 1400050523 /nfs/dbraw/zinc/05/05/23/1400050523.db2.gz QRESQLGCEJETDD-HNNXBMFYSA-N 1 2 388.493 3.110 20 5 GGBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028276032 1400145743 /nfs/dbraw/zinc/14/57/43/1400145743.db2.gz DWJSVYKAWJERNG-LBPRGKRZSA-N 1 2 375.375 3.455 20 5 GGBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028276032 1400145748 /nfs/dbraw/zinc/14/57/48/1400145748.db2.gz DWJSVYKAWJERNG-LBPRGKRZSA-N 1 2 375.375 3.455 20 5 GGBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000029584957 1400318324 /nfs/dbraw/zinc/31/83/24/1400318324.db2.gz IQSGHOPQXUUHMX-UHFFFAOYSA-N 1 2 375.400 3.073 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000029631884 1400325868 /nfs/dbraw/zinc/32/58/68/1400325868.db2.gz RBNDGMCJNGCLNB-UHFFFAOYSA-N 1 2 385.468 3.147 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)cn1 ZINC000029820712 1400357799 /nfs/dbraw/zinc/35/77/99/1400357799.db2.gz RZNGGTKOKDEJEF-UHFFFAOYSA-N 1 2 383.383 3.106 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043121964 1403713117 /nfs/dbraw/zinc/71/31/17/1403713117.db2.gz FOUNFYMYGFLCPT-UHFFFAOYSA-N 1 2 395.419 3.212 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000043149681 1403720613 /nfs/dbraw/zinc/72/06/13/1403720613.db2.gz QTWPDDVXBJKFIM-UHFFFAOYSA-N 1 2 384.436 3.132 20 5 GGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000043305610 1403743883 /nfs/dbraw/zinc/74/38/83/1403743883.db2.gz HMABRQDBOYETRR-RUJXFNLJSA-N 1 2 394.475 3.253 20 5 GGBDLO Cc1ccccc1N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000043545490 1403782672 /nfs/dbraw/zinc/78/26/72/1403782672.db2.gz QAACJPKRLXFLQG-UHFFFAOYSA-N 1 2 391.431 3.051 20 5 GGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045531815 1404140701 /nfs/dbraw/zinc/14/07/01/1404140701.db2.gz FWGYLAJEHLFTIO-UHFFFAOYSA-N 1 2 393.447 3.224 20 5 GGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)C1 ZINC000045678319 1404176065 /nfs/dbraw/zinc/17/60/65/1404176065.db2.gz FCZZWYHYADDGHL-CYBMUJFWSA-N 1 2 390.465 3.301 20 5 GGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)C1 ZINC000045678319 1404176074 /nfs/dbraw/zinc/17/60/74/1404176074.db2.gz FCZZWYHYADDGHL-CYBMUJFWSA-N 1 2 390.465 3.301 20 5 GGBDLO CCOC(=O)c1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000045860160 1404226998 /nfs/dbraw/zinc/22/69/98/1404226998.db2.gz DNJROCODMZQBGC-UHFFFAOYSA-N 1 2 380.360 3.210 20 5 GGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019288 1404274268 /nfs/dbraw/zinc/27/42/68/1404274268.db2.gz MDPHKXSHMDEUAW-UHFFFAOYSA-N 1 2 379.420 3.181 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000046341780 1404372170 /nfs/dbraw/zinc/37/21/70/1404372170.db2.gz WZHHPOHLRQPLFJ-IYBDPMFKSA-N 1 2 399.447 3.222 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000046341780 1404372181 /nfs/dbraw/zinc/37/21/81/1404372181.db2.gz WZHHPOHLRQPLFJ-IYBDPMFKSA-N 1 2 399.447 3.222 20 5 GGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000046343925 1404373229 /nfs/dbraw/zinc/37/32/29/1404373229.db2.gz ZOBBDOLOTWEZJI-HZPDHXFCSA-N 1 2 383.448 3.385 20 5 GGBDLO COc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046343713 1404373675 /nfs/dbraw/zinc/37/36/75/1404373675.db2.gz RYTPLTDHZJAQMD-GJZGRUSLSA-N 1 2 399.447 3.465 20 5 GGBDLO CCOc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1OC ZINC000046511003 1404454742 /nfs/dbraw/zinc/45/47/42/1404454742.db2.gz KQLCVBPGFJEMGF-UHFFFAOYSA-N 1 2 382.376 3.440 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000047031284 1404680093 /nfs/dbraw/zinc/68/00/93/1404680093.db2.gz BSFGYOGIIYZRAS-MRXNPFEDSA-N 1 2 393.465 3.002 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](Cc4cccs4)CC3)n2)cc1 ZINC000047406661 1404827896 /nfs/dbraw/zinc/82/78/96/1404827896.db2.gz ZARAOIJBLPRYSV-UHFFFAOYSA-N 1 2 385.449 3.024 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](Cc4ccsc4)CC3)n2)cc1 ZINC000047406838 1404828837 /nfs/dbraw/zinc/82/88/37/1404828837.db2.gz LPYBKLQSKYMYPO-UHFFFAOYSA-N 1 2 385.449 3.024 20 5 GGBDLO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744213 1404916876 /nfs/dbraw/zinc/91/68/76/1404916876.db2.gz RPRFPEQBTOYFMA-QGZVFWFLSA-N 1 2 386.496 3.112 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000048615971 1405239569 /nfs/dbraw/zinc/23/95/69/1405239569.db2.gz RMPZMAGKBZOEHD-VMPITWQZSA-N 1 2 394.475 3.173 20 5 GGBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000174630580 1427275431 /nfs/dbraw/zinc/27/54/31/1427275431.db2.gz JRUDWFPTLWMPNR-LLVKDONJSA-N 1 2 393.827 3.421 20 5 GGBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000174630580 1427275446 /nfs/dbraw/zinc/27/54/46/1427275446.db2.gz JRUDWFPTLWMPNR-LLVKDONJSA-N 1 2 393.827 3.421 20 5 GGBDLO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000050507048 1405591302 /nfs/dbraw/zinc/59/13/02/1405591302.db2.gz WHKUYRDTNXPXCF-CYBMUJFWSA-N 1 2 395.419 3.197 20 5 GGBDLO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000050507048 1405591311 /nfs/dbraw/zinc/59/13/11/1405591311.db2.gz WHKUYRDTNXPXCF-CYBMUJFWSA-N 1 2 395.419 3.197 20 5 GGBDLO CCN1C[C@H](C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Oc2ccccc21 ZINC000050551784 1405600438 /nfs/dbraw/zinc/60/04/38/1405600438.db2.gz DGKXGCGXSIVUJB-HNNXBMFYSA-N 1 2 381.436 3.190 20 5 GGBDLO CCN1C[C@H](C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Oc2ccccc21 ZINC000050551784 1405600452 /nfs/dbraw/zinc/60/04/52/1405600452.db2.gz DGKXGCGXSIVUJB-HNNXBMFYSA-N 1 2 381.436 3.190 20 5 GGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000050898104 1405679419 /nfs/dbraw/zinc/67/94/19/1405679419.db2.gz HPWDMFILZZGEFP-KRWDZBQOSA-N 1 2 383.404 3.141 20 5 GGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000050898104 1405679428 /nfs/dbraw/zinc/67/94/28/1405679428.db2.gz HPWDMFILZZGEFP-KRWDZBQOSA-N 1 2 383.404 3.141 20 5 GGBDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000051205203 1405743466 /nfs/dbraw/zinc/74/34/66/1405743466.db2.gz YCSQQHVPKKXFOV-UHFFFAOYSA-N 1 2 383.433 3.190 20 5 GGBDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000051205203 1405743470 /nfs/dbraw/zinc/74/34/70/1405743470.db2.gz YCSQQHVPKKXFOV-UHFFFAOYSA-N 1 2 383.433 3.190 20 5 GGBDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051255902 1405756495 /nfs/dbraw/zinc/75/64/95/1405756495.db2.gz IQEFWWFUQOJKFB-UHFFFAOYSA-N 1 2 387.436 3.463 20 5 GGBDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051255902 1405756503 /nfs/dbraw/zinc/75/65/03/1405756503.db2.gz IQEFWWFUQOJKFB-UHFFFAOYSA-N 1 2 387.436 3.463 20 5 GGBDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000051321857 1405786009 /nfs/dbraw/zinc/78/60/09/1405786009.db2.gz CQXDYVSBCYLBAF-UHFFFAOYSA-N 1 2 384.436 3.322 20 5 GGBDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000051321857 1405786020 /nfs/dbraw/zinc/78/60/20/1405786020.db2.gz CQXDYVSBCYLBAF-UHFFFAOYSA-N 1 2 384.436 3.322 20 5 GGBDLO CSc1ccccc1NC(=O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051473592 1405816952 /nfs/dbraw/zinc/81/69/52/1405816952.db2.gz RITHDCMWALSFID-UHFFFAOYSA-N 1 2 375.450 3.266 20 5 GGBDLO CSc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051473592 1405816954 /nfs/dbraw/zinc/81/69/54/1405816954.db2.gz RITHDCMWALSFID-UHFFFAOYSA-N 1 2 375.450 3.266 20 5 GGBDLO COc1ccc(C[NH+]2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1F ZINC000051592088 1405835856 /nfs/dbraw/zinc/83/58/56/1405835856.db2.gz YJDHWIDSGLXNDD-UHFFFAOYSA-N 1 2 389.427 3.069 20 5 GGBDLO COc1ccc(CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000051593601 1405836315 /nfs/dbraw/zinc/83/63/15/1405836315.db2.gz YSPZYMRAPXAKTD-UHFFFAOYSA-N 1 2 385.468 3.147 20 5 GGBDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051706443 1405852999 /nfs/dbraw/zinc/85/29/99/1405852999.db2.gz IXPHZZGRIGBQGC-UHFFFAOYSA-N 1 2 396.491 3.276 20 5 GGBDLO O=C(c1ccc(F)cc1Cl)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052110044 1405939410 /nfs/dbraw/zinc/93/94/10/1405939410.db2.gz IFLWORKWTSULHR-UHFFFAOYSA-N 1 2 391.830 3.388 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000052803519 1406176035 /nfs/dbraw/zinc/17/60/35/1406176035.db2.gz QEQFGYWITQNZIU-CYBMUJFWSA-N 1 2 375.406 3.161 20 5 GGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000052803519 1406176046 /nfs/dbraw/zinc/17/60/46/1406176046.db2.gz QEQFGYWITQNZIU-CYBMUJFWSA-N 1 2 375.406 3.161 20 5 GGBDLO C[C@@H](Nc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052930728 1406233271 /nfs/dbraw/zinc/23/32/71/1406233271.db2.gz GPFRHPJOJFRVQL-OAHLLOKOSA-N 1 2 394.435 3.180 20 5 GGBDLO C[C@H](Nc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052930724 1406233757 /nfs/dbraw/zinc/23/37/57/1406233757.db2.gz GPFRHPJOJFRVQL-HNNXBMFYSA-N 1 2 394.435 3.180 20 5 GGBDLO O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(C(F)(F)F)c1 ZINC000057138422 1407533530 /nfs/dbraw/zinc/53/35/30/1407533530.db2.gz WKKAVXQOVLFUAO-HNNXBMFYSA-N 1 2 391.415 3.233 20 5 GGBDLO O=C(NCc1ccccc1N1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057249791 1407567923 /nfs/dbraw/zinc/56/79/23/1407567923.db2.gz ZDJRNPXAMMGSNX-UHFFFAOYSA-N 1 2 391.431 3.311 20 5 GGBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)CC1 ZINC000057273824 1407576637 /nfs/dbraw/zinc/57/66/37/1407576637.db2.gz CBQWCEHCJQDBFQ-UHFFFAOYSA-N 1 2 388.855 3.248 20 5 GGBDLO O=C(Nc1ncccc1OC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057696020 1407687824 /nfs/dbraw/zinc/68/78/24/1407687824.db2.gz BNQAUVXYYMHWBF-UHFFFAOYSA-N 1 2 375.291 3.029 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000058506764 1407838269 /nfs/dbraw/zinc/83/82/69/1407838269.db2.gz HIXTVASIMDSANB-UHFFFAOYSA-N 1 2 399.856 3.089 20 5 GGBDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000061019567 1408066406 /nfs/dbraw/zinc/06/64/06/1408066406.db2.gz OLNXNRVNJMDJFP-QGZVFWFLSA-N 1 2 388.512 3.287 20 5 GGBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000176421953 1428314253 /nfs/dbraw/zinc/31/42/53/1428314253.db2.gz MIGQKMIEGASAOT-ZDUSSCGKSA-N 1 2 375.425 3.454 20 5 GGBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000176421953 1428314261 /nfs/dbraw/zinc/31/42/61/1428314261.db2.gz MIGQKMIEGASAOT-ZDUSSCGKSA-N 1 2 375.425 3.454 20 5 GGBDLO CCOc1ccc2c(c1)CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000064083098 1408479662 /nfs/dbraw/zinc/47/96/62/1408479662.db2.gz LWAWHCPFFIYTPN-UHFFFAOYSA-N 1 2 392.415 3.378 20 5 GGBDLO COC(=O)c1sccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350140 1408537987 /nfs/dbraw/zinc/53/79/87/1408537987.db2.gz AYGFEVGHXRLNFF-UHFFFAOYSA-N 1 2 391.449 3.292 20 5 GGBDLO COC(=O)c1sccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350140 1408537992 /nfs/dbraw/zinc/53/79/92/1408537992.db2.gz AYGFEVGHXRLNFF-UHFFFAOYSA-N 1 2 391.449 3.292 20 5 GGBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000065510801 1408681288 /nfs/dbraw/zinc/68/12/88/1408681288.db2.gz VQSOWSRGNYSXAN-UHFFFAOYSA-N 1 2 383.452 3.022 20 5 GGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000065734549 1408720923 /nfs/dbraw/zinc/72/09/23/1408720923.db2.gz IEQJJTFSYKXPGD-UHFFFAOYSA-N 1 2 393.447 3.251 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066693745 1408888339 /nfs/dbraw/zinc/88/83/39/1408888339.db2.gz TWIKAGCZEOTFER-LJQANCHMSA-N 1 2 396.378 3.133 20 5 GGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067056599 1408994516 /nfs/dbraw/zinc/99/45/16/1408994516.db2.gz FGOJMIRCJNZRKT-UHFFFAOYSA-N 1 2 392.350 3.358 20 5 GGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000067288804 1409065087 /nfs/dbraw/zinc/06/50/87/1409065087.db2.gz MJYSVFVVDYXYLI-CYBMUJFWSA-N 1 2 389.481 3.334 20 5 GGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000067288804 1409065094 /nfs/dbraw/zinc/06/50/94/1409065094.db2.gz MJYSVFVVDYXYLI-CYBMUJFWSA-N 1 2 389.481 3.334 20 5 GGBDLO CC[NH+](CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000067383253 1409095440 /nfs/dbraw/zinc/09/54/40/1409095440.db2.gz YWYYSYAZTBXFKJ-MRXNPFEDSA-N 1 2 381.454 3.086 20 5 GGBDLO O=C(Nc1ccc(-c2ccccc2)nn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176604976 1428377374 /nfs/dbraw/zinc/37/73/74/1428377374.db2.gz SVMIKYHBQJABBG-UHFFFAOYSA-N 1 2 386.371 3.490 20 5 GGBDLO CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068026804 1409282855 /nfs/dbraw/zinc/28/28/55/1409282855.db2.gz ZWFHOCRDNSQELE-UHFFFAOYSA-N 1 2 379.376 3.300 20 5 GGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068245078 1409339101 /nfs/dbraw/zinc/33/91/01/1409339101.db2.gz OQTPHXVTWYFNBO-CYBMUJFWSA-N 1 2 389.839 3.148 20 5 GGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000069393617 1409626388 /nfs/dbraw/zinc/62/63/88/1409626388.db2.gz ZXFLJUSUSJUVMM-UHFFFAOYSA-N 1 2 396.403 3.118 20 5 GGBDLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000176748864 1428447173 /nfs/dbraw/zinc/44/71/73/1428447173.db2.gz HLBBVQFOGMELSU-IRXDYDNUSA-N 1 2 397.479 3.448 20 5 GGBDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000091773678 1410079970 /nfs/dbraw/zinc/07/99/70/1410079970.db2.gz YYYDREPJGURUFX-UHFFFAOYSA-N 1 2 395.843 3.045 20 5 GGBDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000091773678 1410079975 /nfs/dbraw/zinc/07/99/75/1410079975.db2.gz YYYDREPJGURUFX-UHFFFAOYSA-N 1 2 395.843 3.045 20 5 GGBDLO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000091857422 1410086335 /nfs/dbraw/zinc/08/63/35/1410086335.db2.gz VXOSEFCBFFYYQY-UHFFFAOYSA-N 1 2 390.827 3.200 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000092483158 1410161450 /nfs/dbraw/zinc/16/14/50/1410161450.db2.gz XWFXNYLZORGUOE-UHFFFAOYSA-N 1 2 384.408 3.365 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000092483158 1410161458 /nfs/dbraw/zinc/16/14/58/1410161458.db2.gz XWFXNYLZORGUOE-UHFFFAOYSA-N 1 2 384.408 3.365 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000092789677 1410201547 /nfs/dbraw/zinc/20/15/47/1410201547.db2.gz GVIZYSCTLZZGOD-UHFFFAOYSA-N 1 2 393.390 3.220 20 5 GGBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093277369 1410228701 /nfs/dbraw/zinc/22/87/01/1410228701.db2.gz GPYCWPSOZPNOAJ-QGZVFWFLSA-N 1 2 386.477 3.305 20 5 GGBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093277369 1410228702 /nfs/dbraw/zinc/22/87/02/1410228702.db2.gz GPYCWPSOZPNOAJ-QGZVFWFLSA-N 1 2 386.477 3.305 20 5 GGBDLO CCc1nc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)no1 ZINC000093283677 1410230951 /nfs/dbraw/zinc/23/09/51/1410230951.db2.gz CGSYGGOLYAFPIO-UHFFFAOYSA-N 1 2 397.435 3.118 20 5 GGBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000093335799 1410234338 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3.118 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000102845060 1410798148 /nfs/dbraw/zinc/79/81/48/1410798148.db2.gz BJHRMCWDNCKEJO-MRXNPFEDSA-N 1 2 384.436 3.118 20 5 GGBDLO Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000102859984 1410801997 /nfs/dbraw/zinc/80/19/97/1410801997.db2.gz QOKNZBRFYYYJJO-SFHVURJKSA-N 1 2 397.475 3.266 20 5 GGBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1SC ZINC000103191593 1410836495 /nfs/dbraw/zinc/83/64/95/1410836495.db2.gz KUJBWSYQODSYQZ-UHFFFAOYSA-N 1 2 398.444 3.441 20 5 GGBDLO Cc1nn(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c(C)c1[N+](=O)[O-] ZINC000103462341 1410859934 /nfs/dbraw/zinc/85/99/34/1410859934.db2.gz IRAVOYBRZJKQDC-UHFFFAOYSA-N 1 2 382.424 3.295 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000176974379 1428536287 /nfs/dbraw/zinc/53/62/87/1428536287.db2.gz AWGQFGGRVNZFHY-UHFFFAOYSA-N 1 2 397.479 3.259 20 5 GGBDLO O=c1cc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c2c(ccc3ccccc32)o1 ZINC000106193756 1411179491 /nfs/dbraw/zinc/17/94/91/1411179491.db2.gz DXVDXAVVXTUYNS-SFHVURJKSA-N 1 2 375.428 3.044 20 5 GGBDLO O=c1cc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)c2c(ccc3ccccc32)o1 ZINC000106193756 1411179503 /nfs/dbraw/zinc/17/95/03/1411179503.db2.gz DXVDXAVVXTUYNS-SFHVURJKSA-N 1 2 375.428 3.044 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000106877979 1411314740 /nfs/dbraw/zinc/31/47/40/1411314740.db2.gz ACZWVMKSULCIBU-NSHDSACASA-N 1 2 378.454 3.308 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000106877979 1411314745 /nfs/dbraw/zinc/31/47/45/1411314745.db2.gz ACZWVMKSULCIBU-NSHDSACASA-N 1 2 378.454 3.308 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106875865 1411315330 /nfs/dbraw/zinc/31/53/30/1411315330.db2.gz VLRFRNONGCFXPW-LLVKDONJSA-N 1 2 378.454 3.308 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106875865 1411315333 /nfs/dbraw/zinc/31/53/33/1411315333.db2.gz VLRFRNONGCFXPW-LLVKDONJSA-N 1 2 378.454 3.308 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000107178360 1411347713 /nfs/dbraw/zinc/34/77/13/1411347713.db2.gz BRVNNJDLFSEJQC-UHFFFAOYSA-N 1 2 384.436 3.309 20 5 GGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179877 1411348348 /nfs/dbraw/zinc/34/83/48/1411348348.db2.gz AJGBYTSPTBELFC-UHFFFAOYSA-N 1 2 398.463 3.456 20 5 GGBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000108699663 1411577559 /nfs/dbraw/zinc/57/75/59/1411577559.db2.gz NAYVLYSBHJMWCT-UHFFFAOYSA-N 1 2 397.366 3.212 20 5 GGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)C2 ZINC000108952453 1411648223 /nfs/dbraw/zinc/64/82/23/1411648223.db2.gz FVAMASYBQBINHG-UHFFFAOYSA-N 1 2 397.479 3.250 20 5 GGBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000108999889 1411658430 /nfs/dbraw/zinc/65/84/30/1411658430.db2.gz MABYSDYROKABQN-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO COc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1[N+](=O)[O-] ZINC000109581915 1411793357 /nfs/dbraw/zinc/79/33/57/1411793357.db2.gz LTANLVUHXJPEQI-UHFFFAOYSA-N 1 2 396.403 3.153 20 5 GGBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000109796988 1411811240 /nfs/dbraw/zinc/81/12/40/1411811240.db2.gz HJPDYMDYKRWSHB-UHFFFAOYSA-N 1 2 375.432 3.374 20 5 GGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000110059196 1411828634 /nfs/dbraw/zinc/82/86/34/1411828634.db2.gz FGRLHQZCEJREDS-UHFFFAOYSA-N 1 2 393.334 3.013 20 5 GGBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000110920814 1411877449 /nfs/dbraw/zinc/87/74/49/1411877449.db2.gz YOZOCSALKQPTAO-UHFFFAOYSA-N 1 2 399.447 3.181 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000111283459 1411899495 /nfs/dbraw/zinc/89/94/95/1411899495.db2.gz XCGBESOSEGEQFX-FQEVSTJZSA-N 1 2 393.447 3.412 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000111283459 1411899497 /nfs/dbraw/zinc/89/94/97/1411899497.db2.gz XCGBESOSEGEQFX-FQEVSTJZSA-N 1 2 393.447 3.412 20 5 GGBDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000111304857 1411907305 /nfs/dbraw/zinc/90/73/05/1411907305.db2.gz PDIBVSTVRAZLEC-UHFFFAOYSA-N 1 2 398.463 3.427 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177196713 1428626159 /nfs/dbraw/zinc/62/61/59/1428626159.db2.gz BNLQWECCHLCBBH-DOTOQJQBSA-N 1 2 379.482 3.292 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177196713 1428626172 /nfs/dbraw/zinc/62/61/72/1428626172.db2.gz BNLQWECCHLCBBH-DOTOQJQBSA-N 1 2 379.482 3.292 20 5 GGBDLO CCOc1ccc2c(c1)C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000112580687 1412172047 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CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000129118480 1416149637 /nfs/dbraw/zinc/14/96/37/1416149637.db2.gz PRRHGLXYCPFFRT-AWEZNQCLSA-N 1 2 395.506 3.309 20 5 GGBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000129137958 1416154227 /nfs/dbraw/zinc/15/42/27/1416154227.db2.gz IGGGIMHYFUCZFS-UHFFFAOYSA-N 1 2 396.494 3.057 20 5 GGBDLO Cc1ccc2[nH+]c(CSCC(=O)NCCNc3ccccc3[N+](=O)[O-])cn2c1 ZINC000129137343 1416154310 /nfs/dbraw/zinc/15/43/10/1416154310.db2.gz CYAIBWFIDJHLAM-UHFFFAOYSA-N 1 2 399.476 3.012 20 5 GGBDLO COc1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000129149493 1416156738 /nfs/dbraw/zinc/15/67/38/1416156738.db2.gz VAOWAQABCWGXTD-UHFFFAOYSA-N 1 2 389.427 3.069 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000129546077 1416225572 /nfs/dbraw/zinc/22/55/72/1416225572.db2.gz MIOCJESFYVKLNP-CYBMUJFWSA-N 1 2 375.450 3.184 20 5 GGBDLO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000129867981 1416276798 /nfs/dbraw/zinc/27/67/98/1416276798.db2.gz NZUUXLVAIXTBAR-ZBEGNZNMSA-N 1 2 378.816 3.319 20 5 GGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129917099 1416284835 /nfs/dbraw/zinc/28/48/35/1416284835.db2.gz UTAQEOJSJXDPPQ-UHFFFAOYSA-N 1 2 375.388 3.251 20 5 GGBDLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130023485 1416304189 /nfs/dbraw/zinc/30/41/89/1416304189.db2.gz BNJVKCLFPIELAY-UHFFFAOYSA-N 1 2 397.431 3.009 20 5 GGBDLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130023485 1416304195 /nfs/dbraw/zinc/30/41/95/1416304195.db2.gz BNJVKCLFPIELAY-UHFFFAOYSA-N 1 2 397.431 3.009 20 5 GGBDLO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OC(C)(C)C ZINC000130022861 1416304384 /nfs/dbraw/zinc/30/43/84/1416304384.db2.gz KMJUWOODYNBGJD-MRXNPFEDSA-N 1 2 383.420 3.018 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000130028383 1416305268 /nfs/dbraw/zinc/30/52/68/1416305268.db2.gz QXHVIAFNPRJTPY-UHFFFAOYSA-N 1 2 376.416 3.101 20 5 GGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000130042958 1416307992 /nfs/dbraw/zinc/30/79/92/1416307992.db2.gz VMZTVZATROIXPL-LJQANCHMSA-N 1 2 381.432 3.199 20 5 GGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000130042958 1416307995 /nfs/dbraw/zinc/30/79/95/1416307995.db2.gz VMZTVZATROIXPL-LJQANCHMSA-N 1 2 381.432 3.199 20 5 GGBDLO CCOC(=O)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000130257142 1416347784 /nfs/dbraw/zinc/34/77/84/1416347784.db2.gz HWQAQXDTHAYWGT-LBPRGKRZSA-N 1 2 397.859 3.240 20 5 GGBDLO COc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130358132 1416364122 /nfs/dbraw/zinc/36/41/22/1416364122.db2.gz QQPWJDCTBRIBNY-UHFFFAOYSA-N 1 2 383.448 3.226 20 5 GGBDLO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130358132 1416364127 /nfs/dbraw/zinc/36/41/27/1416364127.db2.gz QQPWJDCTBRIBNY-UHFFFAOYSA-N 1 2 383.448 3.226 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130417400 1416374596 /nfs/dbraw/zinc/37/45/96/1416374596.db2.gz NPKZBWVVXQUEKZ-UHFFFAOYSA-N 1 2 384.392 3.415 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130417400 1416374600 /nfs/dbraw/zinc/37/46/00/1416374600.db2.gz NPKZBWVVXQUEKZ-UHFFFAOYSA-N 1 2 384.392 3.415 20 5 GGBDLO O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000130639525 1416415427 /nfs/dbraw/zinc/41/54/27/1416415427.db2.gz GBSGHLSTIYCZTL-PXNSSMCTSA-N 1 2 392.415 3.431 20 5 GGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000130804786 1416455026 /nfs/dbraw/zinc/45/50/26/1416455026.db2.gz MUNCUTIIZXXWHX-UHFFFAOYSA-N 1 2 397.431 3.359 20 5 GGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000130804786 1416455027 /nfs/dbraw/zinc/45/50/27/1416455027.db2.gz MUNCUTIIZXXWHX-UHFFFAOYSA-N 1 2 397.431 3.359 20 5 GGBDLO Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000131394894 1416550451 /nfs/dbraw/zinc/55/04/51/1416550451.db2.gz CSRBJCDDTGHPFK-UHFFFAOYSA-N 1 2 385.311 3.389 20 5 GGBDLO O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000132011975 1416672700 /nfs/dbraw/zinc/67/27/00/1416672700.db2.gz AOFZMTRBIOHMMH-JCGIZDLHSA-N 1 2 383.404 3.285 20 5 GGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000178629661 1429124780 /nfs/dbraw/zinc/12/47/80/1429124780.db2.gz FJAKYAUYROHOIG-STQMWFEESA-N 1 2 390.465 3.156 20 5 GGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCCO[C@@H](C)C1 ZINC000178629661 1429124788 /nfs/dbraw/zinc/12/47/88/1429124788.db2.gz FJAKYAUYROHOIG-STQMWFEESA-N 1 2 390.465 3.156 20 5 GGBDLO CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000132460270 1416765519 /nfs/dbraw/zinc/76/55/19/1416765519.db2.gz MOSYDFSOFBAYRC-MSOLQXFVSA-N 1 2 384.436 3.200 20 5 GGBDLO Cc1c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132894038 1416827915 /nfs/dbraw/zinc/82/79/15/1416827915.db2.gz IMAYWZYNIJBTRP-UHFFFAOYSA-N 1 2 395.375 3.236 20 5 GGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000132924279 1416831850 /nfs/dbraw/zinc/83/18/50/1416831850.db2.gz KGWVIYFGLKYEER-INIZCTEOSA-N 1 2 395.525 3.184 20 5 GGBDLO O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000132958752 1416835964 /nfs/dbraw/zinc/83/59/64/1416835964.db2.gz OAABQFDMOGTOHO-UHFFFAOYSA-N 1 2 377.282 3.447 20 5 GGBDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000133088239 1416850167 /nfs/dbraw/zinc/85/01/67/1416850167.db2.gz NMGZSTHJYLBWRO-MJGOQNOKSA-N 1 2 393.365 3.116 20 5 GGBDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000133088239 1416850168 /nfs/dbraw/zinc/85/01/68/1416850168.db2.gz NMGZSTHJYLBWRO-MJGOQNOKSA-N 1 2 393.365 3.116 20 5 GGBDLO CN(C)S(=O)(=O)c1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135222394 1417190811 /nfs/dbraw/zinc/19/08/11/1417190811.db2.gz ZOVDCYUVTWUJJE-UHFFFAOYSA-N 1 2 389.477 3.010 20 5 GGBDLO CN(C)S(=O)(=O)c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135222394 1417190823 /nfs/dbraw/zinc/19/08/23/1417190823.db2.gz ZOVDCYUVTWUJJE-UHFFFAOYSA-N 1 2 389.477 3.010 20 5 GGBDLO Cc1ccc(C)c(N2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000178787769 1429169473 /nfs/dbraw/zinc/16/94/73/1429169473.db2.gz BQKKBRKFBHRRHQ-UHFFFAOYSA-N 1 2 383.448 3.400 20 5 GGBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136144965 1417295744 /nfs/dbraw/zinc/29/57/44/1417295744.db2.gz FSLKMILYHDHYJW-UHFFFAOYSA-N 1 2 389.839 3.010 20 5 GGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCNc1cccc[nH+]1 ZINC000136200843 1417300607 /nfs/dbraw/zinc/30/06/07/1417300607.db2.gz USZAZZRMJJUWTN-GFCCVEGCSA-N 1 2 378.816 3.029 20 5 GGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000178838473 1429190095 /nfs/dbraw/zinc/19/00/95/1429190095.db2.gz TZIZVERCLJZESA-BBRMVZONSA-N 1 2 378.388 3.075 20 5 GGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000141779918 1417555381 /nfs/dbraw/zinc/55/53/81/1417555381.db2.gz NIGQXMAZWGQUJW-SFHVURJKSA-N 1 2 399.495 3.315 20 5 GGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000141780133 1417556205 /nfs/dbraw/zinc/55/62/05/1417556205.db2.gz NIGQXMAZWGQUJW-GOSISDBHSA-N 1 2 399.495 3.315 20 5 GGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000151187424 1417890154 /nfs/dbraw/zinc/89/01/54/1417890154.db2.gz WATDECMTGSPACK-LBPRGKRZSA-N 1 2 396.369 3.442 20 5 GGBDLO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151964138 1418107386 /nfs/dbraw/zinc/10/73/86/1418107386.db2.gz OCTPGZRRMBNAOR-CZUORRHYSA-N 1 2 393.827 3.368 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151964138 1418107393 /nfs/dbraw/zinc/10/73/93/1418107393.db2.gz OCTPGZRRMBNAOR-CZUORRHYSA-N 1 2 393.827 3.368 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000178990107 1429235725 /nfs/dbraw/zinc/23/57/25/1429235725.db2.gz GRCCVEUHCQCWCM-UHFFFAOYSA-N 1 2 387.399 3.460 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000179516276 1429405456 /nfs/dbraw/zinc/40/54/56/1429405456.db2.gz TVSZSDTUIDOBQP-HIFRSBDPSA-N 1 2 398.467 3.105 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000179516276 1429405464 /nfs/dbraw/zinc/40/54/64/1429405464.db2.gz TVSZSDTUIDOBQP-HIFRSBDPSA-N 1 2 398.467 3.105 20 5 GGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000179578349 1429448128 /nfs/dbraw/zinc/44/81/28/1429448128.db2.gz LCOMZTGHWJCNQB-UHFFFAOYSA-N 1 2 391.431 3.311 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000179764682 1429547977 /nfs/dbraw/zinc/54/79/77/1429547977.db2.gz UPQXSZSXKCOZSH-RBUKOAKNSA-N 1 2 375.856 3.410 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000179764682 1429547979 /nfs/dbraw/zinc/54/79/79/1429547979.db2.gz UPQXSZSXKCOZSH-RBUKOAKNSA-N 1 2 375.856 3.410 20 5 GGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1cc(F)cc(F)c1 ZINC000153258377 1422423121 /nfs/dbraw/zinc/42/31/21/1422423121.db2.gz GDXOFKHQPVQUJS-UHFFFAOYSA-N 1 2 375.375 3.154 20 5 GGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1cc(F)cc(F)c1 ZINC000153258377 1422423139 /nfs/dbraw/zinc/42/31/39/1422423139.db2.gz GDXOFKHQPVQUJS-UHFFFAOYSA-N 1 2 375.375 3.154 20 5 GGBDLO CC(=O)Nc1cccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153289019 1422443918 /nfs/dbraw/zinc/44/39/18/1422443918.db2.gz SEIQGDUJHHFIPV-UHFFFAOYSA-N 1 2 382.420 3.156 20 5 GGBDLO CC(=O)Nc1cccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153289019 1422443927 /nfs/dbraw/zinc/44/39/27/1422443927.db2.gz SEIQGDUJHHFIPV-UHFFFAOYSA-N 1 2 382.420 3.156 20 5 GGBDLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153295799 1422447201 /nfs/dbraw/zinc/44/72/01/1422447201.db2.gz NLEVSTBKNLDAAN-UHFFFAOYSA-N 1 2 397.431 3.009 20 5 GGBDLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153295799 1422447212 /nfs/dbraw/zinc/44/72/12/1422447212.db2.gz NLEVSTBKNLDAAN-UHFFFAOYSA-N 1 2 397.431 3.009 20 5 GGBDLO CCOc1cccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153328029 1422472583 /nfs/dbraw/zinc/47/25/83/1422472583.db2.gz YRWFPLFLBCTROJ-UHFFFAOYSA-N 1 2 383.448 3.274 20 5 GGBDLO CCOc1cccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153328029 1422472598 /nfs/dbraw/zinc/47/25/98/1422472598.db2.gz YRWFPLFLBCTROJ-UHFFFAOYSA-N 1 2 383.448 3.274 20 5 GGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)c1 ZINC000153469196 1422554135 /nfs/dbraw/zinc/55/41/35/1422554135.db2.gz LILWZEYXDUPNNB-SFHVURJKSA-N 1 2 379.819 3.243 20 5 GGBDLO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153766222 1422744369 /nfs/dbraw/zinc/74/43/69/1422744369.db2.gz YZYWCWJQTJDRCI-MRXNPFEDSA-N 1 2 393.447 3.470 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)ccc1Cl ZINC000153815476 1422774848 /nfs/dbraw/zinc/77/48/48/1422774848.db2.gz ZAXWQYJPBOKQLU-UHFFFAOYSA-N 1 2 391.859 3.217 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)ccc1Cl ZINC000153815476 1422774853 /nfs/dbraw/zinc/77/48/53/1422774853.db2.gz ZAXWQYJPBOKQLU-UHFFFAOYSA-N 1 2 391.859 3.217 20 5 GGBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000153844569 1422794417 /nfs/dbraw/zinc/79/44/17/1422794417.db2.gz DBIRDVSZCSLXHF-UHFFFAOYSA-N 1 2 375.450 3.382 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nc1 ZINC000153966088 1422818308 /nfs/dbraw/zinc/81/83/08/1422818308.db2.gz LBFPPNOILDVBNS-LBPRGKRZSA-N 1 2 377.788 3.238 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nc1 ZINC000153966088 1422818309 /nfs/dbraw/zinc/81/83/09/1422818309.db2.gz LBFPPNOILDVBNS-LBPRGKRZSA-N 1 2 377.788 3.238 20 5 GGBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000154315251 1422871613 /nfs/dbraw/zinc/87/16/13/1422871613.db2.gz DHKALQRWJZFORY-UHFFFAOYSA-N 1 2 398.250 3.019 20 5 GGBDLO COc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000154667620 1422993817 /nfs/dbraw/zinc/99/38/17/1422993817.db2.gz UJQFLZXPDZPDTH-UHFFFAOYSA-N 1 2 382.376 3.131 20 5 GGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000154948138 1423087997 /nfs/dbraw/zinc/08/79/97/1423087997.db2.gz XFQKOPYBOZVYMA-UHFFFAOYSA-N 1 2 376.294 3.128 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000155194074 1423233732 /nfs/dbraw/zinc/23/37/32/1423233732.db2.gz SCPGTRKIQXVLHL-UHFFFAOYSA-N 1 2 376.800 3.041 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000155232445 1423261797 /nfs/dbraw/zinc/26/17/97/1423261797.db2.gz JZFYFNAEHPIJFD-UHFFFAOYSA-N 1 2 376.800 3.041 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000155271392 1423290110 /nfs/dbraw/zinc/29/01/10/1423290110.db2.gz LISOHZXACCOSAC-UHFFFAOYSA-N 1 2 376.800 3.041 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000155679394 1423483633 /nfs/dbraw/zinc/48/36/33/1423483633.db2.gz UQECRCSMYZQDFK-UHFFFAOYSA-N 1 2 376.800 3.041 20 5 GGBDLO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000155692695 1423489382 /nfs/dbraw/zinc/48/93/82/1423489382.db2.gz UHWKHWVGOVOLRT-UHFFFAOYSA-N 1 2 397.431 3.293 20 5 GGBDLO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000155692695 1423489387 /nfs/dbraw/zinc/48/93/87/1423489387.db2.gz UHWKHWVGOVOLRT-UHFFFAOYSA-N 1 2 397.431 3.293 20 5 GGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000155758055 1423520299 /nfs/dbraw/zinc/52/02/99/1423520299.db2.gz HXYFFZLSMDIALZ-UGSOOPFHSA-N 1 2 398.444 3.444 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@@H+]1CC[C@H](CO)C1 ZINC000156204727 1423723607 /nfs/dbraw/zinc/72/36/07/1423723607.db2.gz GFMHYBZXABMEJT-UGSOOPFHSA-N 1 2 389.839 3.242 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+]1CC[C@H](CO)C1 ZINC000156204727 1423723617 /nfs/dbraw/zinc/72/36/17/1423723617.db2.gz GFMHYBZXABMEJT-UGSOOPFHSA-N 1 2 389.839 3.242 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CO)C1 ZINC000156204870 1423723996 /nfs/dbraw/zinc/72/39/96/1423723996.db2.gz GFMHYBZXABMEJT-SCLBCKFNSA-N 1 2 389.839 3.242 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+]1CC[C@H](CO)C1 ZINC000156204870 1423724015 /nfs/dbraw/zinc/72/40/15/1423724015.db2.gz GFMHYBZXABMEJT-SCLBCKFNSA-N 1 2 389.839 3.242 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156341469 1423789836 /nfs/dbraw/zinc/78/98/36/1423789836.db2.gz XFLKVKGQVCIRFA-WFASDCNBSA-N 1 2 390.827 3.124 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156461103 1423813104 /nfs/dbraw/zinc/81/31/04/1423813104.db2.gz VDUSXKMUZHRALB-IGCXYCKISA-N 1 2 391.859 3.355 20 5 GGBDLO Cc1c(NC(=O)CC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000180038875 1429707682 /nfs/dbraw/zinc/70/76/82/1429707682.db2.gz YXKMAFRYFTVMKU-QGZVFWFLSA-N 1 2 379.457 3.188 20 5 GGBDLO COC(=O)c1csc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000180074799 1429725923 /nfs/dbraw/zinc/72/59/23/1429725923.db2.gz HUPUSMIFRDARDP-UHFFFAOYSA-N 1 2 386.389 3.189 20 5 GGBDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000160580235 1424616639 /nfs/dbraw/zinc/61/66/39/1424616639.db2.gz TZNAUXQLUYTFSO-MRXNPFEDSA-N 1 2 384.436 3.392 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000161844137 1424777547 /nfs/dbraw/zinc/77/75/47/1424777547.db2.gz UXKRMHKFPBYUOD-UHFFFAOYSA-N 1 2 393.359 3.282 20 5 GGBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000161865297 1424782631 /nfs/dbraw/zinc/78/26/31/1424782631.db2.gz VISRNRIANRUHAO-UHFFFAOYSA-N 1 2 384.367 3.283 20 5 GGBDLO CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000161953016 1424802458 /nfs/dbraw/zinc/80/24/58/1424802458.db2.gz UPPWVHAYEAMFHE-ZDUSSCGKSA-N 1 2 397.859 3.242 20 5 GGBDLO CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000161953016 1424802461 /nfs/dbraw/zinc/80/24/61/1424802461.db2.gz UPPWVHAYEAMFHE-ZDUSSCGKSA-N 1 2 397.859 3.242 20 5 GGBDLO C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000162487146 1424857883 /nfs/dbraw/zinc/85/78/83/1424857883.db2.gz MLXYFMLXOPVORJ-CQSZACIVSA-N 1 2 378.388 3.172 20 5 GGBDLO O=C(Nc1ccccc1O[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000163081863 1424936003 /nfs/dbraw/zinc/93/60/03/1424936003.db2.gz ZTOCAJBCPWKAPA-HNNXBMFYSA-N 1 2 394.387 3.201 20 5 GGBDLO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000164197206 1425086546 /nfs/dbraw/zinc/08/65/46/1425086546.db2.gz RVOYSOQRPCNMQL-UHFFFAOYSA-N 1 2 382.376 3.396 20 5 GGBDLO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000164197206 1425086549 /nfs/dbraw/zinc/08/65/49/1425086549.db2.gz RVOYSOQRPCNMQL-UHFFFAOYSA-N 1 2 382.376 3.396 20 5 GGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000164409569 1425108589 /nfs/dbraw/zinc/10/85/89/1425108589.db2.gz AXGAOUGLBMZEBM-YWZLYKJASA-N 1 2 383.448 3.367 20 5 GGBDLO COC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C ZINC000171206338 1425539484 /nfs/dbraw/zinc/53/94/84/1425539484.db2.gz YGMAHQNBDIWNIM-UHFFFAOYSA-N 1 2 380.360 3.128 20 5 GGBDLO O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171469061 1425692268 /nfs/dbraw/zinc/69/22/68/1425692268.db2.gz YFQNKNPTNIPAST-PMACEKPBSA-N 1 2 392.415 3.431 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)c1 ZINC000171483867 1425701269 /nfs/dbraw/zinc/70/12/69/1425701269.db2.gz QFRISYHPQWAQSJ-OAHLLOKOSA-N 1 2 398.463 3.013 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)c1 ZINC000171586006 1425745880 /nfs/dbraw/zinc/74/58/80/1425745880.db2.gz NVWAKOQMMWUVDO-MRXNPFEDSA-N 1 2 383.448 3.431 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000171587077 1425747172 /nfs/dbraw/zinc/74/71/72/1425747172.db2.gz WSTZTUREOOCAJO-MRXNPFEDSA-N 1 2 383.448 3.431 20 5 GGBDLO COC(=O)c1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)cc1 ZINC000171803746 1425824947 /nfs/dbraw/zinc/82/49/47/1425824947.db2.gz ZCYKXLYIACUVCE-UHFFFAOYSA-N 1 2 391.343 3.284 20 5 GGBDLO O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172081958 1425892347 /nfs/dbraw/zinc/89/23/47/1425892347.db2.gz WJEMRFZEZZTZSI-QGZVFWFLSA-N 1 2 391.431 3.179 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000172113861 1425899877 /nfs/dbraw/zinc/89/98/77/1425899877.db2.gz OCCGLDCPAMQQSO-UHFFFAOYSA-N 1 2 377.828 3.470 20 5 GGBDLO Cn1c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2cc(Cl)ccc21 ZINC000172358461 1426013616 /nfs/dbraw/zinc/01/36/16/1426013616.db2.gz KKEWIIAMGZQULZ-CYBMUJFWSA-N 1 2 386.843 3.216 20 5 GGBDLO Cn1c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2cc(Cl)ccc21 ZINC000172358461 1426013620 /nfs/dbraw/zinc/01/36/20/1426013620.db2.gz KKEWIIAMGZQULZ-CYBMUJFWSA-N 1 2 386.843 3.216 20 5 GGBDLO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000172449753 1426045307 /nfs/dbraw/zinc/04/53/07/1426045307.db2.gz DJZUGCXZQAQZKB-UHFFFAOYSA-N 1 2 381.392 3.192 20 5 GGBDLO CC(C)Oc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000172664673 1426134226 /nfs/dbraw/zinc/13/42/26/1426134226.db2.gz JNPPBLHDSIRPRR-UHFFFAOYSA-N 1 2 383.448 3.340 20 5 GGBDLO O=C(NCc1coc(-c2ccccc2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172696370 1426148826 /nfs/dbraw/zinc/14/88/26/1426148826.db2.gz BKHPWTBPHJJKMF-UHFFFAOYSA-N 1 2 389.371 3.366 20 5 GGBDLO CN(CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000173122894 1426352311 /nfs/dbraw/zinc/35/23/11/1426352311.db2.gz KRMZUBRMDCZYHU-UHFFFAOYSA-N 1 2 397.479 3.123 20 5 GGBDLO Cc1ccc2oc(=O)n(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000173435605 1426616096 /nfs/dbraw/zinc/61/60/96/1426616096.db2.gz CDTBZHBVTUSCPR-UHFFFAOYSA-N 1 2 383.404 3.312 20 5 GGBDLO O=C1C[C@H](c2ccccc2)N1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173434769 1426616757 /nfs/dbraw/zinc/61/67/57/1426616757.db2.gz HVVJACDPGWCFFM-HXUWFJFHSA-N 1 2 381.432 3.369 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000173465349 1426639606 /nfs/dbraw/zinc/63/96/06/1426639606.db2.gz GODUWGDBMKPUEP-LBPRGKRZSA-N 1 2 377.788 3.238 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000173465349 1426639610 /nfs/dbraw/zinc/63/96/10/1426639610.db2.gz GODUWGDBMKPUEP-LBPRGKRZSA-N 1 2 377.788 3.238 20 5 GGBDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1C ZINC000173470259 1426644977 /nfs/dbraw/zinc/64/49/77/1426644977.db2.gz RFAFNKLJIWQAGX-CQSZACIVSA-N 1 2 389.481 3.101 20 5 GGBDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1C ZINC000173470259 1426644990 /nfs/dbraw/zinc/64/49/90/1426644990.db2.gz RFAFNKLJIWQAGX-CQSZACIVSA-N 1 2 389.481 3.101 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000173534521 1426710824 /nfs/dbraw/zinc/71/08/24/1426710824.db2.gz JLBPOAKTQGKPJD-INIZCTEOSA-N 1 2 383.448 3.431 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173634649 1426804479 /nfs/dbraw/zinc/80/44/79/1426804479.db2.gz HUYQPIUSDJLDPB-UHFFFAOYSA-N 1 2 392.415 3.464 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174060449 1426980184 /nfs/dbraw/zinc/98/01/84/1426980184.db2.gz WYCDWSUQQDYLCL-UHFFFAOYSA-N 1 2 383.404 3.118 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174060449 1426980190 /nfs/dbraw/zinc/98/01/90/1426980190.db2.gz WYCDWSUQQDYLCL-UHFFFAOYSA-N 1 2 383.404 3.118 20 5 GGBDLO Cc1ccc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1[N+](=O)[O-] ZINC000174187300 1427039106 /nfs/dbraw/zinc/03/91/06/1427039106.db2.gz OBDCXVZNECOLJN-UHFFFAOYSA-N 1 2 382.464 3.368 20 5 GGBDLO COc1ccc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1[N+](=O)[O-] ZINC000174198286 1427046080 /nfs/dbraw/zinc/04/60/80/1427046080.db2.gz UDZXHJZGKYTXDM-UHFFFAOYSA-N 1 2 398.463 3.068 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000174201266 1427047564 /nfs/dbraw/zinc/04/75/64/1427047564.db2.gz NOIKNCDUYXVHCB-UHFFFAOYSA-N 1 2 386.427 3.199 20 5 GGBDLO C[C@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000174243680 1427066354 /nfs/dbraw/zinc/06/63/54/1427066354.db2.gz GKFPQGQWPISQJY-AWEZNQCLSA-N 1 2 389.477 3.377 20 5 GGBDLO COc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174242912 1427066451 /nfs/dbraw/zinc/06/64/51/1427066451.db2.gz MFJVHTBVJMIEGY-UHFFFAOYSA-N 1 2 385.420 3.085 20 5 GGBDLO Cc1ccc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000174264385 1427075116 /nfs/dbraw/zinc/07/51/16/1427075116.db2.gz JWJWURGGSXEPIX-MRXNPFEDSA-N 1 2 398.444 3.092 20 5 GGBDLO O=C(OC[C@H]1CCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174383145 1427130977 /nfs/dbraw/zinc/13/09/77/1427130977.db2.gz NNIJOVHYNQEPOX-INIZCTEOSA-N 1 2 392.415 3.464 20 5 GGBDLO Cn1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000174591151 1427245032 /nfs/dbraw/zinc/24/50/32/1427245032.db2.gz AGRCBSAQOMLKEX-UHFFFAOYSA-N 1 2 380.339 3.059 20 5 GGBDLO CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000174719492 1427329110 /nfs/dbraw/zinc/32/91/10/1427329110.db2.gz IPCIBASCAMILSF-UHFFFAOYSA-N 1 2 381.367 3.016 20 5 GGBDLO Cc1ccc([N+](=O)[O-])c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000174838379 1427397324 /nfs/dbraw/zinc/39/73/24/1427397324.db2.gz QPLCTMRZTDRBIE-UHFFFAOYSA-N 1 2 380.404 3.452 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000174896743 1427432849 /nfs/dbraw/zinc/43/28/49/1427432849.db2.gz KFTFISIDFJCUFW-UHFFFAOYSA-N 1 2 382.464 3.297 20 5 GGBDLO COCc1nc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2o1 ZINC000175114601 1427553570 /nfs/dbraw/zinc/55/35/70/1427553570.db2.gz NCYLVHJRJHBKDL-UHFFFAOYSA-N 1 2 393.359 3.320 20 5 GGBDLO CC(C)(NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000175348027 1427696071 /nfs/dbraw/zinc/69/60/71/1427696071.db2.gz CIFYGMVCXSYHLU-UHFFFAOYSA-N 1 2 383.452 3.325 20 5 GGBDLO Cc1ccc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000175694179 1427860841 /nfs/dbraw/zinc/86/08/41/1427860841.db2.gz KALLFKFIKFRGNI-OAHLLOKOSA-N 1 2 383.452 3.459 20 5 GGBDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000180509726 1429885791 /nfs/dbraw/zinc/88/57/91/1429885791.db2.gz CZDMCEHOMGHZEA-MRXNPFEDSA-N 1 2 379.338 3.249 20 5 GGBDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000180509726 1429885792 /nfs/dbraw/zinc/88/57/92/1429885792.db2.gz CZDMCEHOMGHZEA-MRXNPFEDSA-N 1 2 379.338 3.249 20 5 GGBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000180805991 1430051070 /nfs/dbraw/zinc/05/10/70/1430051070.db2.gz DGYUTZCXLBLQIP-UHFFFAOYSA-N 1 2 392.824 3.376 20 5 GGBDLO CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000180852532 1430070720 /nfs/dbraw/zinc/07/07/20/1430070720.db2.gz RMOGGNQRRRVLND-APWZRJJASA-N 1 2 386.452 3.494 20 5 GGBDLO O=C(OCCOc1ccnc(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181320567 1430272459 /nfs/dbraw/zinc/27/24/59/1430272459.db2.gz FAIKFJXLRANUGU-UHFFFAOYSA-N 1 2 388.767 3.065 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000181888539 1430378476 /nfs/dbraw/zinc/37/84/76/1430378476.db2.gz AWSOUTAMGCHWLQ-UHFFFAOYSA-N 1 2 392.452 3.420 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000181888539 1430378480 /nfs/dbraw/zinc/37/84/80/1430378480.db2.gz AWSOUTAMGCHWLQ-UHFFFAOYSA-N 1 2 392.452 3.420 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH+](Cc4ccncc4)CC3)cs2)c1 ZINC000182042108 1430400931 /nfs/dbraw/zinc/40/09/31/1430400931.db2.gz PXXWOUUEQKKTFJ-UHFFFAOYSA-N 1 2 395.488 3.431 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000182082776 1430408305 /nfs/dbraw/zinc/40/83/05/1430408305.db2.gz UENJCEXVVPKNIS-MAUKXSAKSA-N 1 2 385.445 3.170 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000182082790 1430408321 /nfs/dbraw/zinc/40/83/21/1430408321.db2.gz UENJCEXVVPKNIS-QAPCUYQASA-N 1 2 385.445 3.170 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000182082808 1430408384 /nfs/dbraw/zinc/40/83/84/1430408384.db2.gz UENJCEXVVPKNIS-CRAIPNDOSA-N 1 2 385.445 3.170 20 5 GGBDLO Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182340534 1430451143 /nfs/dbraw/zinc/45/11/43/1430451143.db2.gz GAIWOSTWRKQVCI-UHFFFAOYSA-N 1 2 380.408 3.424 20 5 GGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182474757 1430473782 /nfs/dbraw/zinc/47/37/82/1430473782.db2.gz GNJHMTLMMCNKOF-LBPRGKRZSA-N 1 2 394.378 3.025 20 5 GGBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](c2ccccc2)C1 ZINC000182495572 1430477619 /nfs/dbraw/zinc/47/76/19/1430477619.db2.gz MONIZFKFFJCFHC-INIZCTEOSA-N 1 2 391.374 3.325 20 5 GGBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](c2ccccc2)C1 ZINC000182495572 1430477624 /nfs/dbraw/zinc/47/76/24/1430477624.db2.gz MONIZFKFFJCFHC-INIZCTEOSA-N 1 2 391.374 3.325 20 5 GGBDLO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000182825993 1430548210 /nfs/dbraw/zinc/54/82/10/1430548210.db2.gz XSRVSPYBYWJQPV-KDOFPFPSSA-N 1 2 377.404 3.399 20 5 GGBDLO C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000182825972 1430548266 /nfs/dbraw/zinc/54/82/66/1430548266.db2.gz XSRVSPYBYWJQPV-KBXCAEBGSA-N 1 2 377.404 3.399 20 5 GGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000183195489 1430645100 /nfs/dbraw/zinc/64/51/00/1430645100.db2.gz PUJQIMOXQOPOCT-CYBMUJFWSA-N 1 2 392.868 3.130 20 5 GGBDLO C[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183719706 1430780218 /nfs/dbraw/zinc/78/02/18/1430780218.db2.gz OZJYRVCXKZRHEF-CQSZACIVSA-N 1 2 382.395 3.399 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000183959087 1430818773 /nfs/dbraw/zinc/81/87/73/1430818773.db2.gz VTCBIWGHYZWLRA-LLVKDONJSA-N 1 2 378.454 3.220 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184173410 1430850898 /nfs/dbraw/zinc/85/08/98/1430850898.db2.gz GHACSEMZYHJLMK-INIZCTEOSA-N 1 2 391.424 3.138 20 5 GGBDLO CC(C)COC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000184187590 1430853417 /nfs/dbraw/zinc/85/34/17/1430853417.db2.gz LVLAYICAXCHCOP-QGZVFWFLSA-N 1 2 387.436 3.080 20 5 GGBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000184223978 1430858500 /nfs/dbraw/zinc/85/85/00/1430858500.db2.gz XJYCZWGFUMAPPN-UHFFFAOYSA-N 1 2 388.855 3.179 20 5 GGBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000184223978 1430858501 /nfs/dbraw/zinc/85/85/01/1430858501.db2.gz XJYCZWGFUMAPPN-UHFFFAOYSA-N 1 2 388.855 3.179 20 5 GGBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184479543 1430892541 /nfs/dbraw/zinc/89/25/41/1430892541.db2.gz LSECTCICFHVLOE-LBPRGKRZSA-N 1 2 397.522 3.473 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCSC)c1nnc2ccccn21 ZINC000184605282 1430916630 /nfs/dbraw/zinc/91/66/30/1430916630.db2.gz QRZQBFFTRCZJGJ-OAHLLOKOSA-N 1 2 387.465 3.230 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184605157 1430916639 /nfs/dbraw/zinc/91/66/39/1430916639.db2.gz UFVBYPBDJUSOSG-FQEVSTJZSA-N 1 2 397.410 3.094 20 5 GGBDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000184720488 1430953342 /nfs/dbraw/zinc/95/33/42/1430953342.db2.gz IYBDVVOAPMYPMV-GHMZBOCLSA-N 1 2 378.454 3.300 20 5 GGBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)o1 ZINC000184766583 1430970873 /nfs/dbraw/zinc/97/08/73/1430970873.db2.gz CLIIJPUQLMGHJA-NHYWBVRUSA-N 1 2 381.816 3.454 20 5 GGBDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)o1 ZINC000184766566 1430971152 /nfs/dbraw/zinc/97/11/52/1430971152.db2.gz CLIIJPUQLMGHJA-XHDPSFHLSA-N 1 2 381.816 3.454 20 5 GGBDLO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184837702 1430999394 /nfs/dbraw/zinc/99/93/94/1430999394.db2.gz PULNYAOCYZYWDG-KRWDZBQOSA-N 1 2 383.448 3.285 20 5 GGBDLO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184837702 1430999395 /nfs/dbraw/zinc/99/93/95/1430999395.db2.gz PULNYAOCYZYWDG-KRWDZBQOSA-N 1 2 383.448 3.285 20 5 GGBDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000184853245 1431004019 /nfs/dbraw/zinc/00/40/19/1431004019.db2.gz NRLAQHGUTMTKRM-CQSZACIVSA-N 1 2 381.816 3.319 20 5 GGBDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000184861788 1431005744 /nfs/dbraw/zinc/00/57/44/1431005744.db2.gz OECWIKHRSQQMTK-BLLLJJGKSA-N 1 2 391.424 3.063 20 5 GGBDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000184861823 1431005949 /nfs/dbraw/zinc/00/59/49/1431005949.db2.gz OECWIKHRSQQMTK-MLGOLLRUSA-N 1 2 391.424 3.063 20 5 GGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184873646 1431009042 /nfs/dbraw/zinc/00/90/42/1431009042.db2.gz RHNUXDORYLHKHP-MSOLQXFVSA-N 1 2 384.480 3.378 20 5 GGBDLO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cccc1[N+](=O)[O-] ZINC000185153069 1431073184 /nfs/dbraw/zinc/07/31/84/1431073184.db2.gz WVGGHIMWMYZPBH-LBPRGKRZSA-N 1 2 375.429 3.263 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185185287 1431079767 /nfs/dbraw/zinc/07/97/67/1431079767.db2.gz SCQITXVGJMQZKF-LBPRGKRZSA-N 1 2 375.429 3.263 20 5 GGBDLO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000185215022 1431086670 /nfs/dbraw/zinc/08/66/70/1431086670.db2.gz VYIIHIUQZBZFPM-CJNGLKHVSA-N 1 2 390.440 3.116 20 5 GGBDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000185276232 1431098200 /nfs/dbraw/zinc/09/82/00/1431098200.db2.gz DJQUHIWRVVDDPS-UKRRQHHQSA-N 1 2 390.440 3.116 20 5 GGBDLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185406178 1431137902 /nfs/dbraw/zinc/13/79/02/1431137902.db2.gz LXEWSNCSEFKSLK-BFUOFWGJSA-N 1 2 397.410 3.174 20 5 GGBDLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185411918 1431138992 /nfs/dbraw/zinc/13/89/92/1431138992.db2.gz HRVCJFPLDNCODJ-BFUOFWGJSA-N 1 2 397.410 3.174 20 5 GGBDLO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185411899 1431139230 /nfs/dbraw/zinc/13/92/30/1431139230.db2.gz HRVCJFPLDNCODJ-ORAYPTAESA-N 1 2 397.410 3.174 20 5 GGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000185524569 1431164546 /nfs/dbraw/zinc/16/45/46/1431164546.db2.gz MNTJAPALEVHFNT-QGZVFWFLSA-N 1 2 398.463 3.342 20 5 GGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2cccc(F)c2O1 ZINC000185628740 1431188645 /nfs/dbraw/zinc/18/86/45/1431188645.db2.gz YTPFEAUUAINRBS-LBPRGKRZSA-N 1 2 382.351 3.347 20 5 GGBDLO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C1CC1 ZINC000186434739 1431418813 /nfs/dbraw/zinc/41/88/13/1431418813.db2.gz BZVKMGBGYQUIRY-GOSISDBHSA-N 1 2 393.447 3.403 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186676799 1431489433 /nfs/dbraw/zinc/48/94/33/1431489433.db2.gz FXOXBGFJHPIRCR-SPLOXXLWSA-N 1 2 397.431 3.062 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186676799 1431489434 /nfs/dbraw/zinc/48/94/34/1431489434.db2.gz FXOXBGFJHPIRCR-SPLOXXLWSA-N 1 2 397.431 3.062 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187035350 1431596737 /nfs/dbraw/zinc/59/67/37/1431596737.db2.gz VIRUBBAWGXUCNL-OAHLLOKOSA-N 1 2 392.506 3.478 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187035350 1431596740 /nfs/dbraw/zinc/59/67/40/1431596740.db2.gz VIRUBBAWGXUCNL-OAHLLOKOSA-N 1 2 392.506 3.478 20 5 GGBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000187737785 1431806137 /nfs/dbraw/zinc/80/61/37/1431806137.db2.gz NAEAQURQGGAFGL-UHFFFAOYSA-N 1 2 378.812 3.432 20 5 GGBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000187737785 1431806138 /nfs/dbraw/zinc/80/61/38/1431806138.db2.gz NAEAQURQGGAFGL-UHFFFAOYSA-N 1 2 378.812 3.432 20 5 GGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCOCC(F)F)CC1 ZINC000188697217 1431936368 /nfs/dbraw/zinc/93/63/68/1431936368.db2.gz JBMSDJNPGGHBIE-UHFFFAOYSA-N 1 2 383.317 3.017 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189112794 1432046918 /nfs/dbraw/zinc/04/69/18/1432046918.db2.gz OXZKASJHOCAOSH-YVEFUNNKSA-N 1 2 381.860 3.466 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C ZINC000189920026 1432274232 /nfs/dbraw/zinc/27/42/32/1432274232.db2.gz JADKMNUBZXSXSK-UHFFFAOYSA-N 1 2 393.465 3.053 20 5 GGBDLO COc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc([N+](=O)[O-])c1C ZINC000190293868 1432355222 /nfs/dbraw/zinc/35/52/22/1432355222.db2.gz NDPSHDJHRPLLGE-CQSZACIVSA-N 1 2 389.477 3.492 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)o2)cc1 ZINC000190502299 1432393506 /nfs/dbraw/zinc/39/35/06/1432393506.db2.gz BOZDIMHHIZNEOS-UHFFFAOYSA-N 1 2 399.382 3.222 20 5 GGBDLO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000191053272 1432558066 /nfs/dbraw/zinc/55/80/66/1432558066.db2.gz QESNNMQAZXROLM-UHFFFAOYSA-N 1 2 393.465 3.246 20 5 GGBDLO COCCNc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191254002 1432606876 /nfs/dbraw/zinc/60/68/76/1432606876.db2.gz JBQQOHLVYMYAOU-UHFFFAOYSA-N 1 2 381.392 3.091 20 5 GGBDLO COc1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c([N+](=O)[O-])cc1OC ZINC000191677120 1432703706 /nfs/dbraw/zinc/70/37/06/1432703706.db2.gz YDECMSJMGPMMHJ-UHFFFAOYSA-N 1 2 391.399 3.190 20 5 GGBDLO Cc1ccc(C)c(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000191790990 1432725627 /nfs/dbraw/zinc/72/56/27/1432725627.db2.gz RSUMREWSMNXCBP-UHFFFAOYSA-N 1 2 389.355 3.364 20 5 GGBDLO COc1cccc(Cl)c1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191879911 1432745787 /nfs/dbraw/zinc/74/57/87/1432745787.db2.gz BFHDBPXJBIOUGS-UHFFFAOYSA-N 1 2 386.795 3.373 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000192242830 1432821519 /nfs/dbraw/zinc/82/15/19/1432821519.db2.gz BFXKLVGXCRSMBB-UHFFFAOYSA-N 1 2 394.497 3.071 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192243990 1432821781 /nfs/dbraw/zinc/82/17/81/1432821781.db2.gz RCKHZCHKRPRMSQ-UHFFFAOYSA-N 1 2 394.497 3.071 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000192245348 1432822006 /nfs/dbraw/zinc/82/20/06/1432822006.db2.gz KAJCTKZSUOLRJI-UHFFFAOYSA-N 1 2 394.497 3.071 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000192257260 1432823435 /nfs/dbraw/zinc/82/34/35/1432823435.db2.gz HAQCEEWPFXURRZ-UHFFFAOYSA-N 1 2 396.451 3.092 20 5 GGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000192507624 1432852645 /nfs/dbraw/zinc/85/26/45/1432852645.db2.gz QCYMMHJRFQAURC-OAHLLOKOSA-N 1 2 395.799 3.028 20 5 GGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000192507624 1432852646 /nfs/dbraw/zinc/85/26/46/1432852646.db2.gz QCYMMHJRFQAURC-OAHLLOKOSA-N 1 2 395.799 3.028 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(OC)c3[N+](=O)[O-])CC2)c1 ZINC000192523272 1432854628 /nfs/dbraw/zinc/85/46/28/1432854628.db2.gz OUUHDUKXRUETCF-OAHLLOKOSA-N 1 2 399.447 3.131 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000192733559 1432881945 /nfs/dbraw/zinc/88/19/45/1432881945.db2.gz YAMVGIFDDAXBOC-CVEARBPZSA-N 1 2 393.875 3.257 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000192733559 1432881947 /nfs/dbraw/zinc/88/19/47/1432881947.db2.gz YAMVGIFDDAXBOC-CVEARBPZSA-N 1 2 393.875 3.257 20 5 GGBDLO COc1cccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000194056626 1433109281 /nfs/dbraw/zinc/10/92/81/1433109281.db2.gz CCPVJPIHIGJORV-HUUCEWRRSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000194220215 1433141444 /nfs/dbraw/zinc/14/14/44/1433141444.db2.gz NBFQFVDCNSXLPJ-UHFFFAOYSA-N 1 2 376.376 3.344 20 5 GGBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000194335290 1433163212 /nfs/dbraw/zinc/16/32/12/1433163212.db2.gz XTJUIMDIWQGOOP-UHFFFAOYSA-N 1 2 380.408 3.020 20 5 GGBDLO COc1ccc(NC(=O)C[NH+]2CCC(OCCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000194334926 1433163265 /nfs/dbraw/zinc/16/32/65/1433163265.db2.gz RWWBOEUWCZHHQY-UHFFFAOYSA-N 1 2 379.457 3.069 20 5 GGBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(OCCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000194334907 1433163283 /nfs/dbraw/zinc/16/32/83/1433163283.db2.gz WSSVXXRGUPDLFJ-UHFFFAOYSA-N 1 2 393.484 3.459 20 5 GGBDLO CSc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000194414134 1433174442 /nfs/dbraw/zinc/17/44/42/1433174442.db2.gz AVZKDBLSRRQSIK-UHFFFAOYSA-N 1 2 387.461 3.401 20 5 GGBDLO C[C@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194554568 1433196324 /nfs/dbraw/zinc/19/63/24/1433196324.db2.gz ZGNLDKUSAUFBJR-KRWDZBQOSA-N 1 2 398.463 3.062 20 5 GGBDLO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000194679193 1433214605 /nfs/dbraw/zinc/21/46/05/1433214605.db2.gz AFUXEWMABAUUTE-INIZCTEOSA-N 1 2 394.431 3.436 20 5 GGBDLO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000194860564 1433250565 /nfs/dbraw/zinc/25/05/65/1433250565.db2.gz MCMRPGIXIRUBNF-SFHVURJKSA-N 1 2 397.859 3.098 20 5 GGBDLO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000194860564 1433250568 /nfs/dbraw/zinc/25/05/68/1433250568.db2.gz MCMRPGIXIRUBNF-SFHVURJKSA-N 1 2 397.859 3.098 20 5 GGBDLO Cc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195268423 1433313688 /nfs/dbraw/zinc/31/36/88/1433313688.db2.gz JFYUHTROSDEQLF-UHFFFAOYSA-N 1 2 395.375 3.236 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000195347116 1433321388 /nfs/dbraw/zinc/32/13/88/1433321388.db2.gz PYQXOVHTZFUFLD-STQMWFEESA-N 1 2 390.465 3.267 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000195347116 1433321389 /nfs/dbraw/zinc/32/13/89/1433321389.db2.gz PYQXOVHTZFUFLD-STQMWFEESA-N 1 2 390.465 3.267 20 5 GGBDLO C[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000245421309 1433464406 /nfs/dbraw/zinc/46/44/06/1433464406.db2.gz NQJZPTSOWPRTTF-BBWFWOEESA-N 1 2 399.495 3.340 20 5 GGBDLO O=C(O[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000245518323 1433480420 /nfs/dbraw/zinc/48/04/20/1433480420.db2.gz AOFZMTRBIOHMMH-ZTFGCOKTSA-N 1 2 383.404 3.285 20 5 GGBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246535588 1433626719 /nfs/dbraw/zinc/62/67/19/1433626719.db2.gz PVJQZRRMEOVSKR-GUYCJALGSA-N 1 2 375.450 3.447 20 5 GGBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246535588 1433626720 /nfs/dbraw/zinc/62/67/20/1433626720.db2.gz PVJQZRRMEOVSKR-GUYCJALGSA-N 1 2 375.450 3.447 20 5 GGBDLO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000247206166 1433691122 /nfs/dbraw/zinc/69/11/22/1433691122.db2.gz XPDIPQCGWQKFDT-SWLSCSKDSA-N 1 2 390.465 3.156 20 5 GGBDLO CO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000247206166 1433691126 /nfs/dbraw/zinc/69/11/26/1433691126.db2.gz XPDIPQCGWQKFDT-SWLSCSKDSA-N 1 2 390.465 3.156 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000247548784 1433735929 /nfs/dbraw/zinc/73/59/29/1433735929.db2.gz PSBGHSZZZNZMEM-MDKPJZGXSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000247548784 1433735934 /nfs/dbraw/zinc/73/59/34/1433735934.db2.gz PSBGHSZZZNZMEM-MDKPJZGXSA-N 1 2 386.448 3.105 20 5 GGBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263502156 1434009233 /nfs/dbraw/zinc/00/92/33/1434009233.db2.gz LAVXDXLNWQTNHI-UHFFFAOYSA-N 1 2 387.436 3.226 20 5 GGBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263502156 1434009235 /nfs/dbraw/zinc/00/92/35/1434009235.db2.gz LAVXDXLNWQTNHI-UHFFFAOYSA-N 1 2 387.436 3.226 20 5 GGBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1OCCc2ccccc21 ZINC000263702054 1434023030 /nfs/dbraw/zinc/02/30/30/1434023030.db2.gz LSBQTFZVMSQEGP-GOSISDBHSA-N 1 2 380.404 3.391 20 5 GGBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1OCCc2ccccc21 ZINC000263702054 1434023033 /nfs/dbraw/zinc/02/30/33/1434023033.db2.gz LSBQTFZVMSQEGP-GOSISDBHSA-N 1 2 380.404 3.391 20 5 GGBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263959677 1434053648 /nfs/dbraw/zinc/05/36/48/1434053648.db2.gz VYDGODYARJKUGY-HNNXBMFYSA-N 1 2 383.452 3.328 20 5 GGBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263959679 1434053695 /nfs/dbraw/zinc/05/36/95/1434053695.db2.gz VYDGODYARJKUGY-OAHLLOKOSA-N 1 2 383.452 3.328 20 5 GGBDLO O=C(NCCCCNc1cccc[nH+]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000264123101 1434073668 /nfs/dbraw/zinc/07/36/68/1434073668.db2.gz RPJKSIPCWASSJR-UHFFFAOYSA-N 1 2 397.479 3.215 20 5 GGBDLO C[C@@H](c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000264198461 1434080839 /nfs/dbraw/zinc/08/08/39/1434080839.db2.gz HGVHYAZALOREKO-HNNXBMFYSA-N 1 2 385.420 3.006 20 5 GGBDLO C[C@H](c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000264198463 1434081058 /nfs/dbraw/zinc/08/10/58/1434081058.db2.gz HGVHYAZALOREKO-OAHLLOKOSA-N 1 2 385.420 3.006 20 5 GGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265923303 1434283541 /nfs/dbraw/zinc/28/35/41/1434283541.db2.gz CQNIKIBMQGMYBG-AWEZNQCLSA-N 1 2 395.419 3.234 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000265978570 1434291514 /nfs/dbraw/zinc/29/15/14/1434291514.db2.gz DAWCMOQJSTWXOQ-IRXDYDNUSA-N 1 2 397.479 3.004 20 5 GGBDLO COc1ccc(OCC[NH2+]C2(c3noc(C)n3)CCCCC2)c([N+](=O)[O-])c1 ZINC000266680898 1434363152 /nfs/dbraw/zinc/36/31/52/1434363152.db2.gz SDQHDZDMJJZEMO-UHFFFAOYSA-N 1 2 376.413 3.123 20 5 GGBDLO CO[C@H](C)c1noc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000267131065 1434409469 /nfs/dbraw/zinc/40/94/69/1434409469.db2.gz WLEITWOXBSDJQY-GFCCVEGCSA-N 1 2 387.396 3.015 20 5 GGBDLO CO[C@H](C)c1noc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000267131065 1434409471 /nfs/dbraw/zinc/40/94/71/1434409471.db2.gz WLEITWOXBSDJQY-GFCCVEGCSA-N 1 2 387.396 3.015 20 5 GGBDLO CO[C@@H](C)c1noc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000267131067 1434409541 /nfs/dbraw/zinc/40/95/41/1434409541.db2.gz WLEITWOXBSDJQY-LBPRGKRZSA-N 1 2 387.396 3.015 20 5 GGBDLO CO[C@@H](C)c1noc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000267131067 1434409543 /nfs/dbraw/zinc/40/95/43/1434409543.db2.gz WLEITWOXBSDJQY-LBPRGKRZSA-N 1 2 387.396 3.015 20 5 GGBDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423896 1434521593 /nfs/dbraw/zinc/52/15/93/1434521593.db2.gz DISAKOLABMXONB-BXUZGUMPSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423896 1434521594 /nfs/dbraw/zinc/52/15/94/1434521594.db2.gz DISAKOLABMXONB-BXUZGUMPSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423896 1434521596 /nfs/dbraw/zinc/52/15/96/1434521596.db2.gz DISAKOLABMXONB-BXUZGUMPSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423896 1434521597 /nfs/dbraw/zinc/52/15/97/1434521597.db2.gz DISAKOLABMXONB-BXUZGUMPSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423896 1434521599 /nfs/dbraw/zinc/52/15/99/1434521599.db2.gz DISAKOLABMXONB-BXUZGUMPSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423896 1434521601 /nfs/dbraw/zinc/52/16/01/1434521601.db2.gz DISAKOLABMXONB-BXUZGUMPSA-N 1 2 383.412 3.012 20 5 GGBDLO CC(C)c1[nH]nc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1[N+](=O)[O-] ZINC000269327264 1434624845 /nfs/dbraw/zinc/62/48/45/1434624845.db2.gz DHYKWDAEIZUOGO-UHFFFAOYSA-N 1 2 378.458 3.136 20 5 GGBDLO CC(C)c1[nH]nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000269335204 1434626684 /nfs/dbraw/zinc/62/66/84/1434626684.db2.gz GNNNMZCIEBRCMW-NSHDSACASA-N 1 2 392.485 3.382 20 5 GGBDLO CC(C)c1[nH]nc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000269335204 1434626685 /nfs/dbraw/zinc/62/66/85/1434626685.db2.gz GNNNMZCIEBRCMW-NSHDSACASA-N 1 2 392.485 3.382 20 5 GGBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269854304 1434681613 /nfs/dbraw/zinc/68/16/13/1434681613.db2.gz LHVSSOWCKJBYDT-LBPRGKRZSA-N 1 2 380.326 3.017 20 5 GGBDLO CCCc1[nH]nc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1[N+](=O)[O-] ZINC000270540148 1434742771 /nfs/dbraw/zinc/74/27/71/1434742771.db2.gz XDZJFFQIGCXWJN-UHFFFAOYSA-N 1 2 392.419 3.438 20 5 GGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)CC(=O)N2C ZINC000271766969 1434848930 /nfs/dbraw/zinc/84/89/30/1434848930.db2.gz CFRUJTMZHCOMTI-GFCCVEGCSA-N 1 2 393.403 3.015 20 5 GGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272258738 1434882238 /nfs/dbraw/zinc/88/22/38/1434882238.db2.gz ZSLGAUBXWIZDQH-UHFFFAOYSA-N 1 2 390.421 3.018 20 5 GGBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272568313 1434908797 /nfs/dbraw/zinc/90/87/97/1434908797.db2.gz CSZOALSLMJMFGE-QGZVFWFLSA-N 1 2 384.367 3.357 20 5 GGBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272568313 1434908800 /nfs/dbraw/zinc/90/88/00/1434908800.db2.gz CSZOALSLMJMFGE-QGZVFWFLSA-N 1 2 384.367 3.357 20 5 GGBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000272578118 1434910086 /nfs/dbraw/zinc/91/00/86/1434910086.db2.gz USHPAYKBNGEFLH-UHFFFAOYSA-N 1 2 377.832 3.034 20 5 GGBDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCCC2 ZINC000273506075 1434993149 /nfs/dbraw/zinc/99/31/49/1434993149.db2.gz ZOKFUHBRYTUQPS-GFCCVEGCSA-N 1 2 395.506 3.055 20 5 GGBDLO CC(C)COC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000273551801 1434996340 /nfs/dbraw/zinc/99/63/40/1434996340.db2.gz XMMJKLXSRSMFQM-QGZVFWFLSA-N 1 2 375.425 3.154 20 5 GGBDLO CC(C)COC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000273551796 1434996384 /nfs/dbraw/zinc/99/63/84/1434996384.db2.gz XMMJKLXSRSMFQM-KRWDZBQOSA-N 1 2 375.425 3.154 20 5 GGBDLO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276285286 1435202214 /nfs/dbraw/zinc/20/22/14/1435202214.db2.gz GPUNDWHRWRUYEP-UHFFFAOYSA-N 1 2 385.439 3.401 20 5 GGBDLO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276285286 1435202217 /nfs/dbraw/zinc/20/22/17/1435202217.db2.gz GPUNDWHRWRUYEP-UHFFFAOYSA-N 1 2 385.439 3.401 20 5 GGBDLO CCCCCCNC(=O)Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000277826246 1435333966 /nfs/dbraw/zinc/33/39/66/1435333966.db2.gz DRGPOXYCLRETJX-UHFFFAOYSA-N 1 2 398.423 3.070 20 5 GGBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1NC1CC1 ZINC000278000572 1435349176 /nfs/dbraw/zinc/34/91/76/1435349176.db2.gz INLAITCXIQMPTE-WMLDXEAASA-N 1 2 385.424 3.145 20 5 GGBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1NC1CC1 ZINC000278000572 1435349177 /nfs/dbraw/zinc/34/91/77/1435349177.db2.gz INLAITCXIQMPTE-WMLDXEAASA-N 1 2 385.424 3.145 20 5 GGBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1N1CCCC1 ZINC000278120172 1435361573 /nfs/dbraw/zinc/36/15/73/1435361573.db2.gz QHJWWJNJXAIEQF-CRAIPNDOSA-N 1 2 399.451 3.171 20 5 GGBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1N1CCCC1 ZINC000278120172 1435361575 /nfs/dbraw/zinc/36/15/75/1435361575.db2.gz QHJWWJNJXAIEQF-CRAIPNDOSA-N 1 2 399.451 3.171 20 5 GGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c([N+](=O)[O-])c1 ZINC000278310212 1435378454 /nfs/dbraw/zinc/37/84/54/1435378454.db2.gz SLEJYRJLIYCNFR-UHFFFAOYSA-N 1 2 376.344 3.081 20 5 GGBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278668759 1435412268 /nfs/dbraw/zinc/41/22/68/1435412268.db2.gz AKXXYHNHWWAMLC-UHFFFAOYSA-N 1 2 397.479 3.259 20 5 GGBDLO COc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000278973344 1435447234 /nfs/dbraw/zinc/44/72/34/1435447234.db2.gz OTZITYIRSQQLME-UHFFFAOYSA-N 1 2 384.436 3.156 20 5 GGBDLO COc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000279051501 1435455738 /nfs/dbraw/zinc/45/57/38/1435455738.db2.gz YYEINUJGIRKQTJ-UHFFFAOYSA-N 1 2 384.436 3.156 20 5 GGBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279305780 1435484318 /nfs/dbraw/zinc/48/43/18/1435484318.db2.gz WPRWVXDNCYXRFQ-UHFFFAOYSA-N 1 2 383.452 3.217 20 5 GGBDLO C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000279360069 1435491118 /nfs/dbraw/zinc/49/11/18/1435491118.db2.gz SPPOLRTYYVVPCD-BZNIZROVSA-N 1 2 380.807 3.236 20 5 GGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000279368617 1435491731 /nfs/dbraw/zinc/49/17/31/1435491731.db2.gz RQPUFSYFWYQQSG-UHFFFAOYSA-N 1 2 384.436 3.309 20 5 GGBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279632318 1435521260 /nfs/dbraw/zinc/52/12/60/1435521260.db2.gz ZHUNHGACMSRFRF-UHFFFAOYSA-N 1 2 399.407 3.056 20 5 GGBDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])sc1C ZINC000280422546 1435658249 /nfs/dbraw/zinc/65/82/49/1435658249.db2.gz LZRUATUCJXYYHG-AWEZNQCLSA-N 1 2 391.449 3.362 20 5 GGBDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])sc1C ZINC000280422546 1435658253 /nfs/dbraw/zinc/65/82/53/1435658253.db2.gz LZRUATUCJXYYHG-AWEZNQCLSA-N 1 2 391.449 3.362 20 5 GGBDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000280430745 1435659816 /nfs/dbraw/zinc/65/98/16/1435659816.db2.gz MLYHYAKIVRKBQN-LSDHHAIUSA-N 1 2 391.449 3.017 20 5 GGBDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000280430745 1435659821 /nfs/dbraw/zinc/65/98/21/1435659821.db2.gz MLYHYAKIVRKBQN-LSDHHAIUSA-N 1 2 391.449 3.017 20 5 GGBDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000280430739 1435659985 /nfs/dbraw/zinc/65/99/85/1435659985.db2.gz MLYHYAKIVRKBQN-GJZGRUSLSA-N 1 2 391.449 3.017 20 5 GGBDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000280430739 1435659990 /nfs/dbraw/zinc/65/99/90/1435659990.db2.gz MLYHYAKIVRKBQN-GJZGRUSLSA-N 1 2 391.449 3.017 20 5 GGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000280488849 1435668517 /nfs/dbraw/zinc/66/85/17/1435668517.db2.gz QECUGQLWLIXMMD-UHFFFAOYSA-N 1 2 385.420 3.078 20 5 GGBDLO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280729824 1435710690 /nfs/dbraw/zinc/71/06/90/1435710690.db2.gz GQPKAWQZKDXKTP-SCLBCKFNSA-N 1 2 380.441 3.306 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280820707 1435726005 /nfs/dbraw/zinc/72/60/05/1435726005.db2.gz NGPYSRIVXBRJLS-KUHUBIRLSA-N 1 2 392.477 3.176 20 5 GGBDLO CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000281302526 1435803142 /nfs/dbraw/zinc/80/31/42/1435803142.db2.gz AUDJVBNFGSGRJS-KRWDZBQOSA-N 1 2 394.435 3.364 20 5 GGBDLO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000282037013 1435831842 /nfs/dbraw/zinc/83/18/42/1435831842.db2.gz LSELJNMUDSJFER-OYRIPWCXSA-N 1 2 398.463 3.182 20 5 GGBDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000282037011 1435831940 /nfs/dbraw/zinc/83/19/40/1435831940.db2.gz LSELJNMUDSJFER-FKKBTLCVSA-N 1 2 398.463 3.182 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@]3(CO)CCOc4ccccc43)cs2)c1 ZINC000282527143 1435850235 /nfs/dbraw/zinc/85/02/35/1435850235.db2.gz YRDMQNIXJWTFCM-FQEVSTJZSA-N 1 2 397.456 3.478 20 5 GGBDLO Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000282578468 1435852408 /nfs/dbraw/zinc/85/24/08/1435852408.db2.gz VVCWYPBVWNFRNE-UGSOOPFHSA-N 1 2 380.441 3.306 20 5 GGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CCOCC2)CC1 ZINC000284647172 1436036963 /nfs/dbraw/zinc/03/69/63/1436036963.db2.gz DYRGVIQYKJNILD-ZDUSSCGKSA-N 1 2 381.860 3.468 20 5 GGBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001164919712 721821809 /nfs/dbraw/zinc/82/18/09/721821809.db2.gz UIQNTRSUXHMTIW-UHFFFAOYSA-N 1 2 392.463 3.089 20 5 GGBDLO C[NH+](C)CC1CC[NH+](c2ccc(Nc3nc(C(=O)[O-])ccc3[N+](=O)[O-])cc2)CC1 ZINC001598210452 990848462 /nfs/dbraw/zinc/84/84/62/990848462.db2.gz CLLRVWLWUONIPV-UHFFFAOYSA-N 1 2 399.451 3.210 20 5 GGBDLO CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246564 209120533 /nfs/dbraw/zinc/12/05/33/209120533.db2.gz FGONDUBKWSISFE-GFCCVEGCSA-N 1 2 393.472 3.362 20 5 GGBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000229512929 206260521 /nfs/dbraw/zinc/26/05/21/206260521.db2.gz IYKIKJKJAKNLOC-IEBWSBKVSA-N 1 2 392.839 3.061 20 5 GGBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000229512929 206260526 /nfs/dbraw/zinc/26/05/26/206260526.db2.gz IYKIKJKJAKNLOC-IEBWSBKVSA-N 1 2 392.839 3.061 20 5 GGBDLO CS(=O)(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000012512196 206905921 /nfs/dbraw/zinc/90/59/21/206905921.db2.gz PATUXVGGSBCRLA-UHFFFAOYSA-N 1 2 376.438 3.127 20 5 GGBDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000022340236 207252290 /nfs/dbraw/zinc/25/22/90/207252290.db2.gz UGUDVIJTBNXPLU-UHFFFAOYSA-N 1 2 393.321 3.299 20 5 GGBDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000022340236 207252292 /nfs/dbraw/zinc/25/22/92/207252292.db2.gz UGUDVIJTBNXPLU-UHFFFAOYSA-N 1 2 393.321 3.299 20 5 GGBDLO CC(C)(CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000023042845 207266741 /nfs/dbraw/zinc/26/67/41/207266741.db2.gz ONFVUNIHPAVMKK-UHFFFAOYSA-N 1 2 383.448 3.349 20 5 GGBDLO CCOc1cc(C[N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000025482985 207304541 /nfs/dbraw/zinc/30/45/41/207304541.db2.gz MXILZIUBBQCKLP-UHFFFAOYSA-N 1 2 384.383 3.498 20 5 GGBDLO CCOc1cc(C[N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000025482985 207304544 /nfs/dbraw/zinc/30/45/44/207304544.db2.gz MXILZIUBBQCKLP-UHFFFAOYSA-N 1 2 384.383 3.498 20 5 GGBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000095449759 208182822 /nfs/dbraw/zinc/18/28/22/208182822.db2.gz DXYDBSADHSUTSK-HNNXBMFYSA-N 1 2 378.226 3.016 20 5 GGBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000095449759 208182827 /nfs/dbraw/zinc/18/28/27/208182827.db2.gz DXYDBSADHSUTSK-HNNXBMFYSA-N 1 2 378.226 3.016 20 5 GGBDLO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000095452659 208184358 /nfs/dbraw/zinc/18/43/58/208184358.db2.gz GZEZZEJSZZXSON-HNAYVOBHSA-N 1 2 397.431 3.355 20 5 GGBDLO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000095452659 208184363 /nfs/dbraw/zinc/18/43/63/208184363.db2.gz GZEZZEJSZZXSON-HNAYVOBHSA-N 1 2 397.431 3.355 20 5 GGBDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012754065 221225307 /nfs/dbraw/zinc/22/53/07/221225307.db2.gz UZQLUJZZQJMNHH-SFHVURJKSA-N 1 2 389.839 3.052 20 5 GGBDLO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016515600 221364486 /nfs/dbraw/zinc/36/44/86/221364486.db2.gz RWZWSMZPCYQXGY-QGZVFWFLSA-N 1 2 394.475 3.085 20 5 GGBDLO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016515603 221365183 /nfs/dbraw/zinc/36/51/83/221365183.db2.gz RWZWSMZPCYQXGY-KRWDZBQOSA-N 1 2 394.475 3.085 20 5 GGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000095961699 136182974 /nfs/dbraw/zinc/18/29/74/136182974.db2.gz YNQVVZIJYZBAFY-MRXNPFEDSA-N 1 2 398.444 3.092 20 5 GGBDLO C[N@H+](Cc1csc(Br)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115820022 564199766 /nfs/dbraw/zinc/19/97/66/564199766.db2.gz GCCDTGZVBSZCJR-UHFFFAOYSA-N 1 2 384.255 3.150 20 5 GGBDLO C[N@@H+](Cc1csc(Br)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115820022 564199770 /nfs/dbraw/zinc/19/97/70/564199770.db2.gz GCCDTGZVBSZCJR-UHFFFAOYSA-N 1 2 384.255 3.150 20 5 GGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)cc1 ZINC000006637914 564226298 /nfs/dbraw/zinc/22/62/98/564226298.db2.gz HNKSWGFFZAKWQN-UHFFFAOYSA-N 1 2 378.226 3.428 20 5 GGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)cc1 ZINC000006637914 564226303 /nfs/dbraw/zinc/22/63/03/564226303.db2.gz HNKSWGFFZAKWQN-UHFFFAOYSA-N 1 2 378.226 3.428 20 5 GGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccs1 ZINC000016586834 564295379 /nfs/dbraw/zinc/29/53/79/564295379.db2.gz DYUMWTDPXSIDJA-UHFFFAOYSA-N 1 2 384.255 3.489 20 5 GGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccs1 ZINC000016586834 564295382 /nfs/dbraw/zinc/29/53/82/564295382.db2.gz DYUMWTDPXSIDJA-UHFFFAOYSA-N 1 2 384.255 3.489 20 5 GGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000023737106 564326235 /nfs/dbraw/zinc/32/62/35/564326235.db2.gz WNBSTRRMVISANI-UHFFFAOYSA-N 1 2 377.491 3.336 20 5 GGBDLO NC(=O)c1ccc(C[N@@H+]2CCc3c(Br)cccc3C2)c([N+](=O)[O-])c1 ZINC000121151762 564356169 /nfs/dbraw/zinc/35/61/69/564356169.db2.gz LVEALLGOJSNYEN-UHFFFAOYSA-N 1 2 390.237 3.015 20 5 GGBDLO NC(=O)c1ccc(C[N@H+]2CCc3c(Br)cccc3C2)c([N+](=O)[O-])c1 ZINC000121151762 564356172 /nfs/dbraw/zinc/35/61/72/564356172.db2.gz LVEALLGOJSNYEN-UHFFFAOYSA-N 1 2 390.237 3.015 20 5 GGBDLO CC(C)c1nc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000121266702 564362007 /nfs/dbraw/zinc/36/20/07/564362007.db2.gz VXFOUNKCJHDPIV-GFCCVEGCSA-N 1 2 383.495 3.299 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121263704 564362200 /nfs/dbraw/zinc/36/22/00/564362200.db2.gz FCASDYAJLAULFG-CYBMUJFWSA-N 1 2 392.209 3.046 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Br)o2)c([N+](=O)[O-])c1 ZINC000030213591 564376878 /nfs/dbraw/zinc/37/68/78/564376878.db2.gz DDZGHKKYTBLQTK-UHFFFAOYSA-N 1 2 398.213 3.029 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Br)o2)c([N+](=O)[O-])c1 ZINC000030213591 564376883 /nfs/dbraw/zinc/37/68/83/564376883.db2.gz DDZGHKKYTBLQTK-UHFFFAOYSA-N 1 2 398.213 3.029 20 5 GGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(Br)o1 ZINC000030213790 564376927 /nfs/dbraw/zinc/37/69/27/564376927.db2.gz XRZSQMLPLPYRIN-JTQLQIEISA-N 1 2 382.214 3.409 20 5 GGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030213790 564376929 /nfs/dbraw/zinc/37/69/29/564376929.db2.gz XRZSQMLPLPYRIN-JTQLQIEISA-N 1 2 382.214 3.409 20 5 GGBDLO Cc1c(Br)cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000121924749 564393711 /nfs/dbraw/zinc/39/37/11/564393711.db2.gz DQIVRMWEECTROI-UHFFFAOYSA-N 1 2 393.241 3.340 20 5 GGBDLO C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000124122243 564472397 /nfs/dbraw/zinc/47/23/97/564472397.db2.gz MFDUOUMPNSVPGA-NHYWBVRUSA-N 1 2 393.241 3.277 20 5 GGBDLO C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000124122669 564472584 /nfs/dbraw/zinc/47/25/84/564472584.db2.gz MFDUOUMPNSVPGA-XHDPSFHLSA-N 1 2 393.241 3.277 20 5 GGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000124600895 564487876 /nfs/dbraw/zinc/48/78/76/564487876.db2.gz HPCGRTWLVBMNGG-ZDUSSCGKSA-N 1 2 379.214 3.448 20 5 GGBDLO CN(C)c1ccc(CNc2ccc(I)cc2[N+](=O)[O-])c[nH+]1 ZINC000051910248 564567409 /nfs/dbraw/zinc/56/74/09/564567409.db2.gz BCCRMBZEOREGLU-UHFFFAOYSA-N 1 2 398.204 3.273 20 5 GGBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000057842213 564675030 /nfs/dbraw/zinc/67/50/30/564675030.db2.gz KNQOAKSDUKYQKP-UHFFFAOYSA-N 1 2 383.217 3.491 20 5 GGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000057842213 564675035 /nfs/dbraw/zinc/67/50/35/564675035.db2.gz KNQOAKSDUKYQKP-UHFFFAOYSA-N 1 2 383.217 3.491 20 5 GGBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2sccn21 ZINC000058304092 564682554 /nfs/dbraw/zinc/68/25/54/564682554.db2.gz JPNAVBDBGQNIQC-UHFFFAOYSA-N 1 2 377.857 3.280 20 5 GGBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078604259 564864038 /nfs/dbraw/zinc/86/40/38/564864038.db2.gz LGJPHZCENHPACB-SNVBAGLBSA-N 1 2 380.798 3.315 20 5 GGBDLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000092707595 564881441 /nfs/dbraw/zinc/88/14/41/564881441.db2.gz WLMGPWHYOICCOF-CQSZACIVSA-N 1 2 398.301 3.486 20 5 GGBDLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000092707595 564881445 /nfs/dbraw/zinc/88/14/45/564881445.db2.gz WLMGPWHYOICCOF-CQSZACIVSA-N 1 2 398.301 3.486 20 5 GGBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000093815433 564890683 /nfs/dbraw/zinc/89/06/83/564890683.db2.gz UWJZMSNSYWBAGF-INIZCTEOSA-N 1 2 381.226 3.228 20 5 GGBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000093815433 564890685 /nfs/dbraw/zinc/89/06/85/564890685.db2.gz UWJZMSNSYWBAGF-INIZCTEOSA-N 1 2 381.226 3.228 20 5 GGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc(Br)cn1C ZINC000151494299 564922548 /nfs/dbraw/zinc/92/25/48/564922548.db2.gz KSSFNPCNCKVCNO-NSHDSACASA-N 1 2 395.257 3.155 20 5 GGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151494299 564922551 /nfs/dbraw/zinc/92/25/51/564922551.db2.gz KSSFNPCNCKVCNO-NSHDSACASA-N 1 2 395.257 3.155 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151537435 564925581 /nfs/dbraw/zinc/92/55/81/564925581.db2.gz AKDDAINFKDQWCT-UHFFFAOYSA-N 1 2 395.257 3.075 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151537435 564925583 /nfs/dbraw/zinc/92/55/83/564925583.db2.gz AKDDAINFKDQWCT-UHFFFAOYSA-N 1 2 395.257 3.075 20 5 GGBDLO Cc1c[nH+]ccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000153161152 564986804 /nfs/dbraw/zinc/98/68/04/564986804.db2.gz IELWRZYNSOXZGH-UHFFFAOYSA-N 1 2 383.145 3.155 20 5 GGBDLO Cc1csc(Sc2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])n1 ZINC000114336521 565073940 /nfs/dbraw/zinc/07/39/40/565073940.db2.gz FHAPBOMVJVNDAJ-UHFFFAOYSA-N 1 2 375.435 3.164 20 5 GGBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291835683 565080499 /nfs/dbraw/zinc/08/04/99/565080499.db2.gz SVKOCVSWIQNETM-LLVKDONJSA-N 1 2 381.219 3.305 20 5 GGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000183590225 565080754 /nfs/dbraw/zinc/08/07/54/565080754.db2.gz GHDDIPDAMBKVRV-UHFFFAOYSA-N 1 2 376.825 3.304 20 5 GGBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266901371 565095337 /nfs/dbraw/zinc/09/53/37/565095337.db2.gz IMOBZLYZDPSJEO-NSHDSACASA-N 1 2 383.857 3.089 20 5 GGBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266901371 565095340 /nfs/dbraw/zinc/09/53/40/565095340.db2.gz IMOBZLYZDPSJEO-NSHDSACASA-N 1 2 383.857 3.089 20 5 GGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267922799 565134752 /nfs/dbraw/zinc/13/47/52/565134752.db2.gz KKGTZCPXOSMEIH-SECBINFHSA-N 1 2 397.204 3.239 20 5 GGBDLO O=[N+]([O-])c1cc(Br)cnc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000268518364 565155829 /nfs/dbraw/zinc/15/58/29/565155829.db2.gz ZFMPLWHPAAOMRE-UHFFFAOYSA-N 1 2 378.230 3.360 20 5 GGBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000184986609 565168698 /nfs/dbraw/zinc/16/86/98/565168698.db2.gz XMJNTHYDYLFTKQ-VIFPVBQESA-N 1 2 399.270 3.412 20 5 GGBDLO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1nccs1 ZINC000185056653 565175076 /nfs/dbraw/zinc/17/50/76/565175076.db2.gz ARHCWUBQHUNPJX-NSHDSACASA-N 1 2 399.270 3.493 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000372950463 565261997 /nfs/dbraw/zinc/26/19/97/565261997.db2.gz UWASDIMGPROUCA-LLVKDONJSA-N 1 2 393.241 3.111 20 5 GGBDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000373213472 565275051 /nfs/dbraw/zinc/27/50/51/565275051.db2.gz AVRSTPVUVXHBMZ-LLVKDONJSA-N 1 2 396.266 3.335 20 5 GGBDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000373213472 565275056 /nfs/dbraw/zinc/27/50/56/565275056.db2.gz AVRSTPVUVXHBMZ-LLVKDONJSA-N 1 2 396.266 3.335 20 5 GGBDLO CN(C)c1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000273154165 565310764 /nfs/dbraw/zinc/31/07/64/565310764.db2.gz XMGMYXFIOVXPNP-UHFFFAOYSA-N 1 2 380.857 3.118 20 5 GGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000374589772 565345831 /nfs/dbraw/zinc/34/58/31/565345831.db2.gz AKFPUGDPXQQDHW-NSHDSACASA-N 1 2 380.857 3.090 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000374589770 565346456 /nfs/dbraw/zinc/34/64/56/565346456.db2.gz AKFPUGDPXQQDHW-LLVKDONJSA-N 1 2 380.857 3.090 20 5 GGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000375357728 565383163 /nfs/dbraw/zinc/38/31/63/565383163.db2.gz TVCKMYQEFUCZQL-LBPRGKRZSA-N 1 2 381.230 3.046 20 5 GGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000375357728 565383168 /nfs/dbraw/zinc/38/31/68/565383168.db2.gz TVCKMYQEFUCZQL-LBPRGKRZSA-N 1 2 381.230 3.046 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000375658392 565399811 /nfs/dbraw/zinc/39/98/11/565399811.db2.gz QQQQXTMIAHFOGJ-CQSZACIVSA-N 1 2 381.230 3.030 20 5 GGBDLO Cc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000375658821 565399900 /nfs/dbraw/zinc/39/99/00/565399900.db2.gz TTWITAYYICPOKC-OAHLLOKOSA-N 1 2 395.257 3.339 20 5 GGBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c(Br)c1 ZINC000299324505 565446736 /nfs/dbraw/zinc/44/67/36/565446736.db2.gz DHZPHGCWWDFFFY-UHFFFAOYSA-N 1 2 393.241 3.201 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000301074632 565462936 /nfs/dbraw/zinc/46/29/36/565462936.db2.gz JCFXCHNLLWMEDP-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000301148996 565467117 /nfs/dbraw/zinc/46/71/17/565467117.db2.gz IUUOIRKQHZYXJY-UHFFFAOYSA-N 1 2 397.298 3.444 20 5 GGBDLO O=[N+]([O-])c1cncc(Br)c1N1CC[NH+](Cc2cccs2)CC1 ZINC000301902858 565518069 /nfs/dbraw/zinc/51/80/69/565518069.db2.gz WVHKUULNFUQLGU-UHFFFAOYSA-N 1 2 383.271 3.136 20 5 GGBDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302171011 565535329 /nfs/dbraw/zinc/53/53/29/565535329.db2.gz URWSEKOKMDZXTB-GFCCVEGCSA-N 1 2 392.257 3.031 20 5 GGBDLO CC(C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1nccs1 ZINC000173423572 565556346 /nfs/dbraw/zinc/55/63/46/565556346.db2.gz WGUHFSRWPZDOJB-UHFFFAOYSA-N 1 2 399.270 3.277 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1Br ZINC000278460986 565560038 /nfs/dbraw/zinc/56/00/38/565560038.db2.gz ZVXKGXMJIKTICG-GXFFZTMASA-N 1 2 397.191 3.493 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1Br ZINC000278460986 565560044 /nfs/dbraw/zinc/56/00/44/565560044.db2.gz ZVXKGXMJIKTICG-GXFFZTMASA-N 1 2 397.191 3.493 20 5 GGBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cn1 ZINC000279668995 565626148 /nfs/dbraw/zinc/62/61/48/565626148.db2.gz HJHQLZNWUFUIRH-JTQLQIEISA-N 1 2 394.225 3.470 20 5 GGBDLO O=C(NCC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000281424398 565729912 /nfs/dbraw/zinc/72/99/12/565729912.db2.gz ZCPZQBBUBCDMNI-UHFFFAOYSA-N 1 2 379.766 3.139 20 5 GGBDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330955975 565732069 /nfs/dbraw/zinc/73/20/69/565732069.db2.gz HJEUKASAJGZOFH-ZDUSSCGKSA-N 1 2 380.388 3.031 20 5 GGBDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330955975 565732074 /nfs/dbraw/zinc/73/20/74/565732074.db2.gz HJEUKASAJGZOFH-ZDUSSCGKSA-N 1 2 380.388 3.031 20 5 GGBDLO CC1=C(Br)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000281736833 565744598 /nfs/dbraw/zinc/74/45/98/565744598.db2.gz JDQYOJWKHMVJCN-UHFFFAOYSA-N 1 2 391.225 3.295 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000283888551 565834623 /nfs/dbraw/zinc/83/46/23/565834623.db2.gz JUTRGYGUZPXKCX-UHFFFAOYSA-N 1 2 393.241 3.409 20 5 GGBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000332474870 565839402 /nfs/dbraw/zinc/83/94/02/565839402.db2.gz WGLCLFWIZHRMRX-UHFFFAOYSA-N 1 2 379.214 3.100 20 5 GGBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000332474870 565839408 /nfs/dbraw/zinc/83/94/08/565839408.db2.gz WGLCLFWIZHRMRX-UHFFFAOYSA-N 1 2 379.214 3.100 20 5 GGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCCn3cc(Br)cn3)c2c1 ZINC000413268196 565842795 /nfs/dbraw/zinc/84/27/95/565842795.db2.gz NUVVAGUKXINNHB-UHFFFAOYSA-N 1 2 390.241 3.416 20 5 GGBDLO O=[N+]([O-])c1cnc(Nc2ccc([NH+]3CCC(O)CC3)cc2)c(Br)c1 ZINC000177544039 565858114 /nfs/dbraw/zinc/85/81/14/565858114.db2.gz RZGIMGDZDSEPIK-UHFFFAOYSA-N 1 2 393.241 3.457 20 5 GGBDLO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000414458174 565935959 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Cc1nc(C)c([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000181860529 566169457 /nfs/dbraw/zinc/16/94/57/566169457.db2.gz KFNSLKSEIBBIAZ-LBPRGKRZSA-N 1 2 383.495 3.135 20 5 GGBDLO CON(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291354713 566215756 /nfs/dbraw/zinc/21/57/56/566215756.db2.gz XQKMPDCWJLCUPK-UHFFFAOYSA-N 1 2 376.240 3.133 20 5 GGBDLO O=[N+]([O-])c1cc(I)ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000264836528 566225185 /nfs/dbraw/zinc/22/51/85/566225185.db2.gz ITEQEWFEQZCGSG-UHFFFAOYSA-N 1 2 398.204 3.237 20 5 GGBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599322973 566252937 /nfs/dbraw/zinc/25/29/37/566252937.db2.gz WVRZILCAJAPKOG-LLVKDONJSA-N 1 2 379.214 3.031 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000481884561 566261803 /nfs/dbraw/zinc/26/18/03/566261803.db2.gz WPKWXHIFXWFIHM-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000599661919 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O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCSCC(F)(F)F ZINC000447808230 566433409 /nfs/dbraw/zinc/43/34/09/566433409.db2.gz ULISDUPCUYIZAG-UHFFFAOYSA-N 1 2 379.404 3.134 20 5 GGBDLO CCC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000602433979 566470367 /nfs/dbraw/zinc/47/03/67/566470367.db2.gz NDBSGGBJVFDUOE-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000602433979 566470369 /nfs/dbraw/zinc/47/03/69/566470369.db2.gz NDBSGGBJVFDUOE-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[nH+]1 ZINC000577857138 566470687 /nfs/dbraw/zinc/47/06/87/566470687.db2.gz RDCJPSJRBFNZAL-UHFFFAOYSA-N 1 2 381.230 3.362 20 5 GGBDLO CCCC(=O)NC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602446345 566472555 /nfs/dbraw/zinc/47/25/55/566472555.db2.gz CIKJQYASDGMSHA-UHFFFAOYSA-N 1 2 390.303 3.300 20 5 GGBDLO COCCCOC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602477317 566474410 /nfs/dbraw/zinc/47/44/10/566474410.db2.gz JOXGFWXYHWJDCT-UHFFFAOYSA-N 1 2 393.303 3.436 20 5 GGBDLO O=[N+]([O-])c1sc(CNc2ccc(N3CCOCC3)c[nH+]2)cc1Br ZINC000602520642 566475901 /nfs/dbraw/zinc/47/59/01/566475901.db2.gz KJLQCQJQPGPGLP-UHFFFAOYSA-N 1 2 399.270 3.263 20 5 GGBDLO O=[N+]([O-])c1sc(C[NH2+]Cc2nnc3n2CCCCC3)cc1Br ZINC000602501399 566475976 /nfs/dbraw/zinc/47/59/76/566475976.db2.gz DMDISZIKERINGV-UHFFFAOYSA-N 1 2 386.275 3.027 20 5 GGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1Br ZINC000602606153 566480572 /nfs/dbraw/zinc/48/05/72/566480572.db2.gz APNQMWHPVXCAKA-UHFFFAOYSA-N 1 2 391.287 3.048 20 5 GGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCOCC3(CCOCC3)C2)cc1Br ZINC000602606153 566480576 /nfs/dbraw/zinc/48/05/76/566480576.db2.gz APNQMWHPVXCAKA-UHFFFAOYSA-N 1 2 391.287 3.048 20 5 GGBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602651673 566483388 /nfs/dbraw/zinc/48/33/88/566483388.db2.gz KLQVCYBJTMHLKV-ZDUSSCGKSA-N 1 2 380.388 3.013 20 5 GGBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602651673 566483390 /nfs/dbraw/zinc/48/33/90/566483390.db2.gz KLQVCYBJTMHLKV-ZDUSSCGKSA-N 1 2 380.388 3.013 20 5 GGBDLO COCCO[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602659147 566484968 /nfs/dbraw/zinc/48/49/68/566484968.db2.gz OHQNDFGVARWKLL-SNVBAGLBSA-N 1 2 379.276 3.046 20 5 GGBDLO COCCO[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602659147 566484977 /nfs/dbraw/zinc/48/49/77/566484977.db2.gz OHQNDFGVARWKLL-SNVBAGLBSA-N 1 2 379.276 3.046 20 5 GGBDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602682593 566487937 /nfs/dbraw/zinc/48/79/37/566487937.db2.gz MPOJEBMCAKYHKS-ZDUSSCGKSA-N 1 2 380.388 3.013 20 5 GGBDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602682593 566487943 /nfs/dbraw/zinc/48/79/43/566487943.db2.gz MPOJEBMCAKYHKS-ZDUSSCGKSA-N 1 2 380.388 3.013 20 5 GGBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000578233453 566503519 /nfs/dbraw/zinc/50/35/19/566503519.db2.gz RBUDZMDRBRRNEC-CQSZACIVSA-N 1 2 381.226 3.189 20 5 GGBDLO Cn1c2cc(Br)ccc2[nH+]c1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000486025464 566550605 /nfs/dbraw/zinc/55/06/05/566550605.db2.gz BVSZGPKQDZCNOX-UHFFFAOYSA-N 1 2 397.616 3.107 20 5 GGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000604016372 566550928 /nfs/dbraw/zinc/55/09/28/566550928.db2.gz WRDFNBVLVVRBRV-UHFFFAOYSA-N 1 2 378.226 3.428 20 5 GGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000604016372 566550932 /nfs/dbraw/zinc/55/09/32/566550932.db2.gz WRDFNBVLVVRBRV-UHFFFAOYSA-N 1 2 378.226 3.428 20 5 GGBDLO COc1cc(C[NH2+]Cc2nc(C)c(Br)s2)c([N+](=O)[O-])cc1O ZINC000449402792 566558169 /nfs/dbraw/zinc/55/81/69/566558169.db2.gz SORLTVPXXDLZNF-UHFFFAOYSA-N 1 2 388.243 3.126 20 5 GGBDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000604490218 566567138 /nfs/dbraw/zinc/56/71/38/566567138.db2.gz GRCIDHVLSHQTJR-UHFFFAOYSA-N 1 2 381.841 3.037 20 5 GGBDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000604490218 566567146 /nfs/dbraw/zinc/56/71/46/566567146.db2.gz GRCIDHVLSHQTJR-UHFFFAOYSA-N 1 2 381.841 3.037 20 5 GGBDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604490223 566568193 /nfs/dbraw/zinc/56/81/93/566568193.db2.gz PQBUBSOFAHMXKT-UHFFFAOYSA-N 1 2 381.841 3.037 20 5 GGBDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604490223 566568195 /nfs/dbraw/zinc/56/81/95/566568195.db2.gz PQBUBSOFAHMXKT-UHFFFAOYSA-N 1 2 381.841 3.037 20 5 GGBDLO CO[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000449495167 566569715 /nfs/dbraw/zinc/56/97/15/566569715.db2.gz HLGALVKFBIJGHE-YGRLFVJLSA-N 1 2 390.221 3.056 20 5 GGBDLO CO[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000449495167 566569720 /nfs/dbraw/zinc/56/97/20/566569720.db2.gz HLGALVKFBIJGHE-YGRLFVJLSA-N 1 2 390.221 3.056 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000425387303 566637086 /nfs/dbraw/zinc/63/70/86/566637086.db2.gz UMGUKSZMASKOOH-UHFFFAOYSA-N 1 2 380.242 3.268 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000425387349 566637128 /nfs/dbraw/zinc/63/71/28/566637128.db2.gz URCWCBQRZAMLEH-UHFFFAOYSA-N 1 2 392.253 3.385 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000425399395 566637272 /nfs/dbraw/zinc/63/72/72/566637272.db2.gz DRFXBACUNZYKCA-JQWIXIFHSA-N 1 2 383.164 3.245 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000425399395 566637276 /nfs/dbraw/zinc/63/72/76/566637276.db2.gz DRFXBACUNZYKCA-JQWIXIFHSA-N 1 2 383.164 3.245 20 5 GGBDLO COc1ccccc1C[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425397528 566637998 /nfs/dbraw/zinc/63/79/98/566637998.db2.gz RVWGDGSXNJNPHL-UHFFFAOYSA-N 1 2 395.253 3.360 20 5 GGBDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425397528 566638006 /nfs/dbraw/zinc/63/80/06/566638006.db2.gz RVWGDGSXNJNPHL-UHFFFAOYSA-N 1 2 395.253 3.360 20 5 GGBDLO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425401134 566639678 /nfs/dbraw/zinc/63/96/78/566639678.db2.gz DTIIMVLRDMISAA-GFCCVEGCSA-N 1 2 381.230 3.428 20 5 GGBDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425401134 566639682 /nfs/dbraw/zinc/63/96/82/566639682.db2.gz DTIIMVLRDMISAA-GFCCVEGCSA-N 1 2 381.230 3.428 20 5 GGBDLO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425407805 566640278 /nfs/dbraw/zinc/64/02/78/566640278.db2.gz QJWSTDGGALRNKB-UHFFFAOYSA-N 1 2 398.301 3.436 20 5 GGBDLO CC(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425401201 566640471 /nfs/dbraw/zinc/64/04/71/566640471.db2.gz DYHZYAPJFASCLA-UHFFFAOYSA-N 1 2 384.274 3.094 20 5 GGBDLO O=C1CCCCN1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425415970 566641138 /nfs/dbraw/zinc/64/11/38/566641138.db2.gz FWWPFZLLNCMROC-UHFFFAOYSA-N 1 2 396.285 3.334 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000425415382 566641210 /nfs/dbraw/zinc/64/12/10/566641210.db2.gz FIOFBIZFCVNXMI-UHFFFAOYSA-N 1 2 391.269 3.070 20 5 GGBDLO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425429686 566641656 /nfs/dbraw/zinc/64/16/56/566641656.db2.gz AMALNDUOJCKUME-NSHDSACASA-N 1 2 384.274 3.094 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000425438182 566643831 /nfs/dbraw/zinc/64/38/31/566643831.db2.gz ACXRVSDAJZKROL-UHFFFAOYSA-N 1 2 380.242 3.137 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000425438182 566643838 /nfs/dbraw/zinc/64/38/38/566643838.db2.gz ACXRVSDAJZKROL-UHFFFAOYSA-N 1 2 380.242 3.137 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000425448737 566644763 /nfs/dbraw/zinc/64/47/63/566644763.db2.gz VODPWRAEZBXSRP-KRWDZBQOSA-N 1 2 393.237 3.117 20 5 GGBDLO COCC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425460621 566645040 /nfs/dbraw/zinc/64/50/40/566645040.db2.gz SGQXGSGXFUQEIW-UHFFFAOYSA-N 1 2 380.242 3.401 20 5 GGBDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425460621 566645043 /nfs/dbraw/zinc/64/50/43/566645043.db2.gz SGQXGSGXFUQEIW-UHFFFAOYSA-N 1 2 380.242 3.401 20 5 GGBDLO CN(C)C(=O)CC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425455254 566645749 /nfs/dbraw/zinc/64/57/49/566645749.db2.gz HRNHPMWCMFKOKM-UHFFFAOYSA-N 1 2 384.274 3.048 20 5 GGBDLO CC(C)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000425492852 566648417 /nfs/dbraw/zinc/64/84/17/566648417.db2.gz ODFRVOPWZZXZHR-UHFFFAOYSA-N 1 2 394.273 3.310 20 5 GGBDLO Cc1c(Br)c(NCCc2[nH]c3ccc(F)cc3[nH+]2)ncc1[N+](=O)[O-] ZINC000541577077 566735287 /nfs/dbraw/zinc/73/52/87/566735287.db2.gz FDSUMQBGKSGMMI-UHFFFAOYSA-N 1 2 394.204 3.153 20 5 GGBDLO Cc1c(Br)c(NCCCCNc2cccc[nH+]2)ncc1[N+](=O)[O-] ZINC000542505947 566807159 /nfs/dbraw/zinc/80/71/59/566807159.db2.gz FDAPBLYQLNJCQK-UHFFFAOYSA-N 1 2 380.246 3.182 20 5 GGBDLO Cc1cccn2cc(CNc3ncc([N+](=O)[O-])c(C)c3Br)[nH+]c12 ZINC000542505950 566807521 /nfs/dbraw/zinc/80/75/21/566807521.db2.gz HWKMQXQRSZYIHT-UHFFFAOYSA-N 1 2 376.214 3.051 20 5 GGBDLO Cc1cccn2cc(CCNc3ncc(Br)cc3[N+](=O)[O-])[nH+]c12 ZINC000610769938 566860996 /nfs/dbraw/zinc/86/09/96/566860996.db2.gz SZEHYWKNSCYNNK-UHFFFAOYSA-N 1 2 376.214 3.363 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000428995305 566896299 /nfs/dbraw/zinc/89/62/99/566896299.db2.gz AAJBQBQLVPIXEN-OAHLLOKOSA-N 1 2 399.216 3.328 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429018532 566900136 /nfs/dbraw/zinc/90/01/36/566900136.db2.gz IQZUNDNQGSTPSD-HNNXBMFYSA-N 1 2 399.216 3.328 20 5 GGBDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543859192 566918563 /nfs/dbraw/zinc/91/85/63/566918563.db2.gz NMNFBBWGBVQTPW-LLVKDONJSA-N 1 2 383.857 3.089 20 5 GGBDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543859192 566918570 /nfs/dbraw/zinc/91/85/70/566918570.db2.gz NMNFBBWGBVQTPW-LLVKDONJSA-N 1 2 383.857 3.089 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccn2cc[nH+]c2c1 ZINC000583279199 566935961 /nfs/dbraw/zinc/93/59/61/566935961.db2.gz MSLQIAGHQKYUJA-UHFFFAOYSA-N 1 2 375.182 3.186 20 5 GGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612121817 566955220 /nfs/dbraw/zinc/95/52/20/566955220.db2.gz OVLLSDXIMNKHRA-VXGBXAGGSA-N 1 2 380.388 3.031 20 5 GGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612121817 566955222 /nfs/dbraw/zinc/95/52/22/566955222.db2.gz OVLLSDXIMNKHRA-VXGBXAGGSA-N 1 2 380.388 3.031 20 5 GGBDLO Cc1c(Br)c(NCCc2[nH]c3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000544394854 566959474 /nfs/dbraw/zinc/95/94/74/566959474.db2.gz UGVXUKQZEXRGPG-UHFFFAOYSA-N 1 2 376.214 3.014 20 5 GGBDLO Cc1c(Br)c(NCc2cccc(-n3cc[nH+]c3)c2)ncc1[N+](=O)[O-] ZINC000544392975 566959772 /nfs/dbraw/zinc/95/97/72/566959772.db2.gz LOBMPDVRVMQMCI-UHFFFAOYSA-N 1 2 388.225 3.280 20 5 GGBDLO Cc1c(Br)c(N[C@H]2CCN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000612451781 566974221 /nfs/dbraw/zinc/97/42/21/566974221.db2.gz KAKZBVDZLAWUOY-NSHDSACASA-N 1 2 378.230 3.147 20 5 GGBDLO C[N@H+](Cc1ccc(Br)c(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494268030 566981208 /nfs/dbraw/zinc/98/12/08/566981208.db2.gz LJHKCRFSVATVJK-UHFFFAOYSA-N 1 2 396.216 3.227 20 5 GGBDLO C[N@@H+](Cc1ccc(Br)c(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494268030 566981215 /nfs/dbraw/zinc/98/12/15/566981215.db2.gz LJHKCRFSVATVJK-UHFFFAOYSA-N 1 2 396.216 3.227 20 5 GGBDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000545407149 567048904 /nfs/dbraw/zinc/04/89/04/567048904.db2.gz UZYVDDOFPIMBPW-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO C[C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)n1cc[nH+]c1 ZINC000565719191 567093517 /nfs/dbraw/zinc/09/35/17/567093517.db2.gz CVFICQXMNVJQAW-JTQLQIEISA-N 1 2 392.213 3.331 20 5 GGBDLO Cn1cc(C[N@@H+]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000587923382 567105929 /nfs/dbraw/zinc/10/59/29/567105929.db2.gz NCIAQKUNYZPDLY-UHFFFAOYSA-N 1 2 384.267 3.347 20 5 GGBDLO Cn1cc(C[N@H+]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000587923382 567105936 /nfs/dbraw/zinc/10/59/36/567105936.db2.gz NCIAQKUNYZPDLY-UHFFFAOYSA-N 1 2 384.267 3.347 20 5 GGBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000497979448 567138766 /nfs/dbraw/zinc/13/87/66/567138766.db2.gz VAOQJUXKVSFQTQ-UWVGGRQHSA-N 1 2 396.296 3.005 20 5 GGBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000497979448 567138776 /nfs/dbraw/zinc/13/87/76/567138776.db2.gz VAOQJUXKVSFQTQ-UWVGGRQHSA-N 1 2 396.296 3.005 20 5 GGBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000497979449 567139313 /nfs/dbraw/zinc/13/93/13/567139313.db2.gz VAOQJUXKVSFQTQ-VHSXEESVSA-N 1 2 396.296 3.005 20 5 GGBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000497979449 567139321 /nfs/dbraw/zinc/13/93/21/567139321.db2.gz VAOQJUXKVSFQTQ-VHSXEESVSA-N 1 2 396.296 3.005 20 5 GGBDLO Cc1nc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cs1 ZINC000589309746 567175257 /nfs/dbraw/zinc/17/52/57/567175257.db2.gz KKEUSSQHFJVNAF-UHFFFAOYSA-N 1 2 389.218 3.254 20 5 GGBDLO Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3Br)[nH+]c2c1 ZINC000524255317 567190525 /nfs/dbraw/zinc/19/05/25/567190525.db2.gz SRWKOFKRCUDWEA-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO O=[N+]([O-])c1cnc(NCC2CC[NH+](CC(F)F)CC2)c(Br)c1 ZINC000590567897 567231754 /nfs/dbraw/zinc/23/17/54/567231754.db2.gz WAFRSLSILDUVTM-UHFFFAOYSA-N 1 2 379.205 3.141 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000433757492 567270218 /nfs/dbraw/zinc/27/02/18/567270218.db2.gz JKMJUOIJFMCZIA-UHFFFAOYSA-N 1 2 379.873 3.246 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000433757492 567270227 /nfs/dbraw/zinc/27/02/27/567270227.db2.gz JKMJUOIJFMCZIA-UHFFFAOYSA-N 1 2 379.873 3.246 20 5 GGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455402769 567271452 /nfs/dbraw/zinc/27/14/52/567271452.db2.gz OSPDJIKFXKETNE-SECBINFHSA-N 1 2 382.218 3.456 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500778699 567344208 /nfs/dbraw/zinc/34/42/08/567344208.db2.gz KMNITDMTOHACMF-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456349534 567365558 /nfs/dbraw/zinc/36/55/58/567365558.db2.gz ADZPXECXTWIRGB-SDBXPKJASA-N 1 2 379.214 3.298 20 5 GGBDLO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000435442106 567368448 /nfs/dbraw/zinc/36/84/48/567368448.db2.gz GPJCEWNKTNPASI-NSHDSACASA-N 1 2 396.296 3.053 20 5 GGBDLO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000435442106 567368454 /nfs/dbraw/zinc/36/84/54/567368454.db2.gz GPJCEWNKTNPASI-NSHDSACASA-N 1 2 396.296 3.053 20 5 GGBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000594582052 567487917 /nfs/dbraw/zinc/48/79/17/567487917.db2.gz FSEJEXLIBUWSEM-UHFFFAOYSA-N 1 2 384.483 3.002 20 5 GGBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000594582058 567488271 /nfs/dbraw/zinc/48/82/71/567488271.db2.gz FZKTVFJPQAPIPF-UHFFFAOYSA-N 1 2 384.483 3.002 20 5 GGBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000594582045 567488802 /nfs/dbraw/zinc/48/88/02/567488802.db2.gz DMLNAZTXLKRYIZ-UHFFFAOYSA-N 1 2 384.483 3.002 20 5 GGBDLO Cc1c(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000479481853 567538564 /nfs/dbraw/zinc/53/85/64/567538564.db2.gz ICUIFXACUPZTQP-OAHLLOKOSA-N 1 2 396.216 3.121 20 5 GGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])CCC2 ZINC000505899475 567602783 /nfs/dbraw/zinc/60/27/83/567602783.db2.gz RFISYSBHCKCEDF-NSHDSACASA-N 1 2 393.241 3.170 20 5 GGBDLO O=[N+]([O-])c1cccc(Br)c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000596065524 567607349 /nfs/dbraw/zinc/60/73/49/567607349.db2.gz QYSINAXNQFRXSM-UHFFFAOYSA-N 1 2 393.241 3.201 20 5 GGBDLO O=[N+]([O-])c1cnc(NCc2ccc[nH+]c2N2CCCC2)c(Br)c1 ZINC000596357719 567626426 /nfs/dbraw/zinc/62/64/26/567626426.db2.gz RMNNWHIXRZNUNN-UHFFFAOYSA-N 1 2 378.230 3.360 20 5 GGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000553265956 567640288 /nfs/dbraw/zinc/64/02/88/567640288.db2.gz KEBPPXRLVJHNRH-HNNXBMFYSA-N 1 2 380.857 3.341 20 5 GGBDLO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459629840 567643906 /nfs/dbraw/zinc/64/39/06/567643906.db2.gz FMGKRWKBWCAXFY-VIFPVBQESA-N 1 2 380.857 3.483 20 5 GGBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459629838 567643948 /nfs/dbraw/zinc/64/39/48/567643948.db2.gz FMGKRWKBWCAXFY-SECBINFHSA-N 1 2 380.857 3.483 20 5 GGBDLO O=[N+]([O-])c1cnc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)s1 ZINC000553580110 567668700 /nfs/dbraw/zinc/66/87/00/567668700.db2.gz IWPFZBGUFGQNIN-UHFFFAOYSA-N 1 2 398.242 3.310 20 5 GGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccc(O)c1 ZINC000532566697 567723458 /nfs/dbraw/zinc/72/34/58/567723458.db2.gz MMFMHDZDUVEYIQ-UHFFFAOYSA-N 1 2 394.225 3.133 20 5 GGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cccc(O)c1 ZINC000532566697 567723464 /nfs/dbraw/zinc/72/34/64/567723464.db2.gz MMFMHDZDUVEYIQ-UHFFFAOYSA-N 1 2 394.225 3.133 20 5 GGBDLO CC(C)O[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573917040 567743740 /nfs/dbraw/zinc/74/37/40/567743740.db2.gz KQUYUCHNEQFORH-CQSZACIVSA-N 1 2 390.221 3.199 20 5 GGBDLO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573917040 567743748 /nfs/dbraw/zinc/74/37/48/567743748.db2.gz KQUYUCHNEQFORH-CQSZACIVSA-N 1 2 390.221 3.199 20 5 GGBDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccs1 ZINC000533215526 567759488 /nfs/dbraw/zinc/75/94/88/567759488.db2.gz PDXCHKWXTAMQIR-UHFFFAOYSA-N 1 2 383.857 3.397 20 5 GGBDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccs1 ZINC000533215526 567759494 /nfs/dbraw/zinc/75/94/94/567759494.db2.gz PDXCHKWXTAMQIR-UHFFFAOYSA-N 1 2 383.857 3.397 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000574322985 567772585 /nfs/dbraw/zinc/77/25/85/567772585.db2.gz VTCPAJIWWJABON-UHFFFAOYSA-N 1 2 391.225 3.303 20 5 GGBDLO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1Br ZINC000534336757 567808556 /nfs/dbraw/zinc/80/85/56/567808556.db2.gz ZUJHWRNMPMSXDL-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000053488256 1406415463 /nfs/dbraw/zinc/41/54/63/1406415463.db2.gz HEEDXEYBLSPTTA-UHFFFAOYSA-N 1 2 395.868 3.033 20 5 GGBDLO COc1ccccc1OCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053682213 1406479190 /nfs/dbraw/zinc/47/91/90/1406479190.db2.gz CENJWSQYNGIBPR-UHFFFAOYSA-N 1 2 393.827 3.206 20 5 GGBDLO COc1ccccc1OCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053682213 1406479195 /nfs/dbraw/zinc/47/91/95/1406479195.db2.gz CENJWSQYNGIBPR-UHFFFAOYSA-N 1 2 393.827 3.206 20 5 GGBDLO CN(CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000054167164 1406636680 /nfs/dbraw/zinc/63/66/80/1406636680.db2.gz VQLIYDHNGHFDKI-UHFFFAOYSA-N 1 2 393.447 3.427 20 5 GGBDLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000054223730 1406657182 /nfs/dbraw/zinc/65/71/82/1406657182.db2.gz BTNAZULRJVLFED-ZFWWWQNUSA-N 1 2 379.420 3.036 20 5 GGBDLO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000054223730 1406657192 /nfs/dbraw/zinc/65/71/92/1406657192.db2.gz BTNAZULRJVLFED-ZFWWWQNUSA-N 1 2 379.420 3.036 20 5 GGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054225682 1406658884 /nfs/dbraw/zinc/65/88/84/1406658884.db2.gz QIIGJLRETOUOTB-UHFFFAOYSA-N 1 2 392.350 3.358 20 5 GGBDLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000054668639 1406800705 /nfs/dbraw/zinc/80/07/05/1406800705.db2.gz GLBMGQZJAUTOGF-MRXNPFEDSA-N 1 2 399.403 3.108 20 5 GGBDLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000054668639 1406800706 /nfs/dbraw/zinc/80/07/06/1406800706.db2.gz GLBMGQZJAUTOGF-MRXNPFEDSA-N 1 2 399.403 3.108 20 5 GGBDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007492625 1398689482 /nfs/dbraw/zinc/68/94/82/1398689482.db2.gz HUBHAXXPCPXQQW-GOSISDBHSA-N 1 2 396.491 3.154 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000007902070 1398768928 /nfs/dbraw/zinc/76/89/28/1398768928.db2.gz MSIRROLYGFNBBM-UHFFFAOYSA-N 1 2 395.362 3.275 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000007902070 1398768933 /nfs/dbraw/zinc/76/89/33/1398768933.db2.gz MSIRROLYGFNBBM-UHFFFAOYSA-N 1 2 395.362 3.275 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000008120767 1398806268 /nfs/dbraw/zinc/80/62/68/1398806268.db2.gz FSIBXNBPYHBHFW-UHFFFAOYSA-N 1 2 393.827 3.206 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000008120767 1398806269 /nfs/dbraw/zinc/80/62/69/1398806269.db2.gz FSIBXNBPYHBHFW-UHFFFAOYSA-N 1 2 393.827 3.206 20 5 GGBDLO Cc1cc(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000008307554 1398821891 /nfs/dbraw/zinc/82/18/91/1398821891.db2.gz WXTFTZKILLLYQJ-UHFFFAOYSA-N 1 2 395.467 3.015 20 5 GGBDLO O=[N+]([O-])c1ccccc1NCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000009339004 1398857146 /nfs/dbraw/zinc/85/71/46/1398857146.db2.gz SGTPAZAVWACKMT-UHFFFAOYSA-N 1 2 375.392 3.248 20 5 GGBDLO C[N@H+](CCOc1ccccc1F)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015045734 1399134727 /nfs/dbraw/zinc/13/47/27/1399134727.db2.gz SNBJVVHHLMJSPL-UHFFFAOYSA-N 1 2 381.791 3.337 20 5 GGBDLO C[N@@H+](CCOc1ccccc1F)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015045734 1399134737 /nfs/dbraw/zinc/13/47/37/1399134737.db2.gz SNBJVVHHLMJSPL-UHFFFAOYSA-N 1 2 381.791 3.337 20 5 GGBDLO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000015107218 1399140397 /nfs/dbraw/zinc/14/03/97/1399140397.db2.gz QRYVMTVOJTVFQA-UHFFFAOYSA-N 1 2 394.884 3.066 20 5 GGBDLO CC(=O)c1ccc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c([N+](=O)[O-])c1 ZINC000015117719 1399141010 /nfs/dbraw/zinc/14/10/10/1399141010.db2.gz CHHGJJXGGVHSPL-UHFFFAOYSA-N 1 2 383.452 3.346 20 5 GGBDLO COCCOc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000055570688 1407006944 /nfs/dbraw/zinc/00/69/44/1407006944.db2.gz VUWYOHFVBMMPMR-UHFFFAOYSA-N 1 2 382.376 3.058 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000016499705 1399246281 /nfs/dbraw/zinc/24/62/81/1399246281.db2.gz KAFAZTIIFMGRAH-UHFFFAOYSA-N 1 2 384.436 3.343 20 5 GGBDLO C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000016516221 1399246753 /nfs/dbraw/zinc/24/67/53/1399246753.db2.gz ITPGNSRLOWJQBQ-ZWKOTPCHSA-N 1 2 396.491 3.025 20 5 GGBDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564756 1399249861 /nfs/dbraw/zinc/24/98/61/1399249861.db2.gz NZGNCANIXMYMAE-GOSISDBHSA-N 1 2 396.491 3.154 20 5 GGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564605 1399250083 /nfs/dbraw/zinc/25/00/83/1399250083.db2.gz SBADXWAHSIYGOR-SJORKVTESA-N 1 2 394.475 3.083 20 5 GGBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016786781 1399262961 /nfs/dbraw/zinc/26/29/61/1399262961.db2.gz JKKMTZHCUKRJLM-LTSKSLEPSA-N 1 2 395.459 3.106 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018121529 1399301533 /nfs/dbraw/zinc/30/15/33/1399301533.db2.gz CTPMABFFIWMTCN-UHFFFAOYSA-N 1 2 389.839 3.085 20 5 GGBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000018110465 1399301723 /nfs/dbraw/zinc/30/17/23/1399301723.db2.gz JHIBNCAKDNEGNJ-UHFFFAOYSA-N 1 2 398.419 3.078 20 5 GGBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc2c(c1)OCCO2 ZINC000023829399 1399586346 /nfs/dbraw/zinc/58/63/46/1399586346.db2.gz GGNIHIOBJFZLNA-UHFFFAOYSA-N 1 2 382.376 3.048 20 5 GGBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc2c(c1)OCCO2 ZINC000023829399 1399586350 /nfs/dbraw/zinc/58/63/50/1399586350.db2.gz GGNIHIOBJFZLNA-UHFFFAOYSA-N 1 2 382.376 3.048 20 5 GGBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000024290096 1399618025 /nfs/dbraw/zinc/61/80/25/1399618025.db2.gz NKZZAPOYAMMLNL-UXBLZVDNSA-N 1 2 395.459 3.269 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000024821523 1399676486 /nfs/dbraw/zinc/67/64/86/1399676486.db2.gz FXMLWQAIFUSOFE-INIZCTEOSA-N 1 2 399.403 3.108 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000024821523 1399676496 /nfs/dbraw/zinc/67/64/96/1399676496.db2.gz FXMLWQAIFUSOFE-INIZCTEOSA-N 1 2 399.403 3.108 20 5 GGBDLO O=[N+]([O-])c1cccc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)c1 ZINC000024895600 1399687615 /nfs/dbraw/zinc/68/76/15/1399687615.db2.gz QBMMCJKADKGEGV-UHFFFAOYSA-N 1 2 375.856 3.445 20 5 GGBDLO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000025416803 1399806732 /nfs/dbraw/zinc/80/67/32/1399806732.db2.gz MEYXOJVBTFMQAY-OAQYLSRUSA-N 1 2 392.415 3.316 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000025414752 1399806797 /nfs/dbraw/zinc/80/67/97/1399806797.db2.gz CJOJOURTBBGCKJ-SFHVURJKSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000025414752 1399806799 /nfs/dbraw/zinc/80/67/99/1399806799.db2.gz CJOJOURTBBGCKJ-SFHVURJKSA-N 1 2 385.420 3.388 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000025421581 1399807630 /nfs/dbraw/zinc/80/76/30/1399807630.db2.gz RUFFGZLYLAFVGJ-INIZCTEOSA-N 1 2 383.404 3.142 20 5 GGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000025421581 1399807632 /nfs/dbraw/zinc/80/76/32/1399807632.db2.gz RUFFGZLYLAFVGJ-INIZCTEOSA-N 1 2 383.404 3.142 20 5 GGBDLO CCOc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000055696162 1407058876 /nfs/dbraw/zinc/05/88/76/1407058876.db2.gz YAENVUAGRGPGLD-UHFFFAOYSA-N 1 2 396.403 3.118 20 5 GGBDLO COc1ccc(OCC[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000025923943 1399846778 /nfs/dbraw/zinc/84/67/78/1399846778.db2.gz RNISIDCAAFRQAH-UHFFFAOYSA-N 1 2 384.392 3.164 20 5 GGBDLO COc1ccc(OCC[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000025923943 1399846780 /nfs/dbraw/zinc/84/67/80/1399846780.db2.gz RNISIDCAAFRQAH-UHFFFAOYSA-N 1 2 384.392 3.164 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000026116701 1399861614 /nfs/dbraw/zinc/86/16/14/1399861614.db2.gz JJLFFHWEQAIYMB-NRFANRHFSA-N 1 2 383.448 3.287 20 5 GGBDLO COCCOc1cc(C)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055701964 1407062164 /nfs/dbraw/zinc/06/21/64/1407062164.db2.gz RPJNNCGJCZWIDR-UHFFFAOYSA-N 1 2 396.403 3.366 20 5 GGBDLO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000026301454 1399876877 /nfs/dbraw/zinc/87/68/77/1399876877.db2.gz RIJYYJMPQRDMMA-AWEZNQCLSA-N 1 2 375.450 3.276 20 5 GGBDLO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000026301454 1399876879 /nfs/dbraw/zinc/87/68/79/1399876879.db2.gz RIJYYJMPQRDMMA-AWEZNQCLSA-N 1 2 375.450 3.276 20 5 GGBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000026322871 1399878657 /nfs/dbraw/zinc/87/86/57/1399878657.db2.gz RVYXGLGJXDAZCY-CQSZACIVSA-N 1 2 387.436 3.379 20 5 GGBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000026322871 1399878659 /nfs/dbraw/zinc/87/86/59/1399878659.db2.gz RVYXGLGJXDAZCY-CQSZACIVSA-N 1 2 387.436 3.379 20 5 GGBDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000026350490 1399881753 /nfs/dbraw/zinc/88/17/53/1399881753.db2.gz XKILBPYIYBLGBV-HNNXBMFYSA-N 1 2 384.436 3.380 20 5 GGBDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000026350490 1399881756 /nfs/dbraw/zinc/88/17/56/1399881756.db2.gz XKILBPYIYBLGBV-HNNXBMFYSA-N 1 2 384.436 3.380 20 5 GGBDLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026477321 1399893867 /nfs/dbraw/zinc/89/38/67/1399893867.db2.gz CENZPHWCQWZDJQ-QFIPXVFZSA-N 1 2 388.427 3.258 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000027537991 1400051054 /nfs/dbraw/zinc/05/10/54/1400051054.db2.gz SCTXMNJZKXCFLC-LBPRGKRZSA-N 1 2 391.399 3.210 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000027537991 1400051063 /nfs/dbraw/zinc/05/10/63/1400051063.db2.gz SCTXMNJZKXCFLC-LBPRGKRZSA-N 1 2 391.399 3.210 20 5 GGBDLO CCCCNC(=O)C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000029540831 1400313159 /nfs/dbraw/zinc/31/31/59/1400313159.db2.gz OTIZUEJTLPTGAT-UHFFFAOYSA-N 1 2 392.481 3.458 20 5 GGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029554929 1400314129 /nfs/dbraw/zinc/31/41/29/1400314129.db2.gz PJJVUSZZNBOBHM-CQSZACIVSA-N 1 2 386.477 3.387 20 5 GGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029554935 1400314625 /nfs/dbraw/zinc/31/46/25/1400314625.db2.gz PJJVUSZZNBOBHM-AWEZNQCLSA-N 1 2 386.477 3.387 20 5 GGBDLO CC(=O)c1ccc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000029618871 1400324231 /nfs/dbraw/zinc/32/42/31/1400324231.db2.gz UHXTZUVOBVUHHF-UHFFFAOYSA-N 1 2 386.427 3.171 20 5 GGBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000029658624 1400332127 /nfs/dbraw/zinc/33/21/27/1400332127.db2.gz DSLIKMGJDLNJSI-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000029658624 1400332134 /nfs/dbraw/zinc/33/21/34/1400332134.db2.gz DSLIKMGJDLNJSI-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO O=C(NC1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000042933172 1400430531 /nfs/dbraw/zinc/43/05/31/1400430531.db2.gz LSNFBNOIKIVWPW-UHFFFAOYSA-N 1 2 386.477 3.313 20 5 GGBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056404375 1407322500 /nfs/dbraw/zinc/32/25/00/1407322500.db2.gz WZFGMCOZMDQJCO-UHFFFAOYSA-N 1 2 389.415 3.293 20 5 GGBDLO COC(=O)N(C)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000056449894 1407333891 /nfs/dbraw/zinc/33/38/91/1407333891.db2.gz GAWHBPWMZULXLF-UHFFFAOYSA-N 1 2 395.375 3.235 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000043126761 1403713089 /nfs/dbraw/zinc/71/30/89/1403713089.db2.gz FGWBVUGPGTVDGX-UHFFFAOYSA-N 1 2 376.438 3.015 20 5 GGBDLO Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000043148275 1403719629 /nfs/dbraw/zinc/71/96/29/1403719629.db2.gz CUFMZIMIJHJXHY-UHFFFAOYSA-N 1 2 384.436 3.057 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000043151906 1403720562 /nfs/dbraw/zinc/72/05/62/1403720562.db2.gz DKGOSSWMEVPPED-UHFFFAOYSA-N 1 2 384.436 3.057 20 5 GGBDLO Cc1csc(Sc2ccc(C(=O)NCCn3cc[nH+]c3)cc2[N+](=O)[O-])n1 ZINC000043946108 1403850325 /nfs/dbraw/zinc/85/03/25/1403850325.db2.gz FOCPGAJCWCXEDY-UHFFFAOYSA-N 1 2 389.462 3.137 20 5 GGBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)C1 ZINC000045678321 1404176130 /nfs/dbraw/zinc/17/61/30/1404176130.db2.gz FCZZWYHYADDGHL-ZDUSSCGKSA-N 1 2 390.465 3.301 20 5 GGBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)C1 ZINC000045678321 1404176143 /nfs/dbraw/zinc/17/61/43/1404176143.db2.gz FCZZWYHYADDGHL-ZDUSSCGKSA-N 1 2 390.465 3.301 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000046033625 1404280597 /nfs/dbraw/zinc/28/05/97/1404280597.db2.gz UJURXLFBXJBSIL-MRXNPFEDSA-N 1 2 393.465 3.002 20 5 GGBDLO CCCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000046178913 1404321742 /nfs/dbraw/zinc/32/17/42/1404321742.db2.gz RBQGECKLLQVYKS-UHFFFAOYSA-N 1 2 380.404 3.499 20 5 GGBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000046747726 1404575994 /nfs/dbraw/zinc/57/59/94/1404575994.db2.gz NSHJFRVWJRCSGO-GFCCVEGCSA-N 1 2 376.376 3.148 20 5 GGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046921137 1404634450 /nfs/dbraw/zinc/63/44/50/1404634450.db2.gz CNHWPFOYJPGPNO-UHFFFAOYSA-N 1 2 379.420 3.181 20 5 GGBDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000047743142 1404915228 /nfs/dbraw/zinc/91/52/28/1404915228.db2.gz GBKFGUSDAQAYSZ-KRWDZBQOSA-N 1 2 382.464 3.158 20 5 GGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743768 1404916817 /nfs/dbraw/zinc/91/68/17/1404916817.db2.gz AWVAQZKYCQUVPD-SJORKVTESA-N 1 2 394.475 3.083 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000048615973 1405239987 /nfs/dbraw/zinc/23/99/87/1405239987.db2.gz SGMAEODVTWZVTE-VMPITWQZSA-N 1 2 394.475 3.173 20 5 GGBDLO O=C(NCc1cccc(OC(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000050378992 1405564025 /nfs/dbraw/zinc/56/40/25/1405564025.db2.gz ABEJCMMSFNBPMV-UHFFFAOYSA-N 1 2 388.330 3.312 20 5 GGBDLO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000050507045 1405591370 /nfs/dbraw/zinc/59/13/70/1405591370.db2.gz WHKUYRDTNXPXCF-ZDUSSCGKSA-N 1 2 395.419 3.197 20 5 GGBDLO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000050507045 1405591375 /nfs/dbraw/zinc/59/13/75/1405591375.db2.gz WHKUYRDTNXPXCF-ZDUSSCGKSA-N 1 2 395.419 3.197 20 5 GGBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000050963919 1405692767 /nfs/dbraw/zinc/69/27/67/1405692767.db2.gz BKJGEIIGHIKWBI-QGZVFWFLSA-N 1 2 387.411 3.354 20 5 GGBDLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000050963919 1405692780 /nfs/dbraw/zinc/69/27/80/1405692780.db2.gz BKJGEIIGHIKWBI-QGZVFWFLSA-N 1 2 387.411 3.354 20 5 GGBDLO COc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000051286116 1405776276 /nfs/dbraw/zinc/77/62/76/1405776276.db2.gz NIHLYDKMCVDIMW-UHFFFAOYSA-N 1 2 382.420 3.084 20 5 GGBDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000051508077 1405822710 /nfs/dbraw/zinc/82/27/10/1405822710.db2.gz LKYMLRRKAOBHQE-UHFFFAOYSA-N 1 2 389.427 3.069 20 5 GGBDLO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051706722 1405853182 /nfs/dbraw/zinc/85/31/82/1405853182.db2.gz QZVOXCDEKGJIIQ-UHFFFAOYSA-N 1 2 396.491 3.222 20 5 GGBDLO COCCN(Cc1cccs1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000052843438 1406194895 /nfs/dbraw/zinc/19/48/95/1406194895.db2.gz JMSHVNGXSHSASE-UHFFFAOYSA-N 1 2 386.433 3.131 20 5 GGBDLO Cc1cccc(N2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1C ZINC000057438565 1407618800 /nfs/dbraw/zinc/61/88/00/1407618800.db2.gz UHCNQRWYEHOPIA-UHFFFAOYSA-N 1 2 383.448 3.400 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1C ZINC000057557884 1407648999 /nfs/dbraw/zinc/64/89/99/1407648999.db2.gz LXAASVLSDIDIRI-UHFFFAOYSA-N 1 2 388.380 3.104 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1C ZINC000057559651 1407649794 /nfs/dbraw/zinc/64/97/94/1407649794.db2.gz UYFRCRQBXMGKJW-UHFFFAOYSA-N 1 2 388.380 3.104 20 5 GGBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000058372826 1407819601 /nfs/dbraw/zinc/81/96/01/1407819601.db2.gz ZZOQKHLOYDJNCQ-UHFFFAOYSA-N 1 2 391.811 3.438 20 5 GGBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000058372826 1407819605 /nfs/dbraw/zinc/81/96/05/1407819605.db2.gz ZZOQKHLOYDJNCQ-UHFFFAOYSA-N 1 2 391.811 3.438 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058414884 1407824757 /nfs/dbraw/zinc/82/47/57/1407824757.db2.gz PSNYLRLLQOPDGC-UHFFFAOYSA-N 1 2 379.420 3.391 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000058501891 1407838212 /nfs/dbraw/zinc/83/82/12/1407838212.db2.gz HJRSHBWTXRMXDX-UHFFFAOYSA-N 1 2 393.465 3.053 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1C ZINC000058957063 1407904592 /nfs/dbraw/zinc/90/45/92/1407904592.db2.gz XRMTYNYGAIVUOT-UHFFFAOYSA-N 1 2 384.436 3.462 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1C ZINC000058958286 1407905743 /nfs/dbraw/zinc/90/57/43/1407905743.db2.gz WRDPBRTWTCDMBS-UHFFFAOYSA-N 1 2 386.452 3.466 20 5 GGBDLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000061019473 1408065764 /nfs/dbraw/zinc/06/57/64/1408065764.db2.gz RYMFJLVNMSZEHH-NRFANRHFSA-N 1 2 396.491 3.327 20 5 GGBDLO C[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000176395715 1428299260 /nfs/dbraw/zinc/29/92/60/1428299260.db2.gz WJGUHTBDGSFYCL-MRXNPFEDSA-N 1 2 385.468 3.094 20 5 GGBDLO COc1ccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000064322149 1408533936 /nfs/dbraw/zinc/53/39/36/1408533936.db2.gz QXLWGLRTKWVLAR-UHFFFAOYSA-N 1 2 382.376 3.074 20 5 GGBDLO CC1CCN(c2ccc(C(=O)NCCCCn3cc[nH+]c3)cc2[N+](=O)[O-])CC1 ZINC000065516063 1408682292 /nfs/dbraw/zinc/68/22/92/1408682292.db2.gz OGCYAVSPCGPNGY-UHFFFAOYSA-N 1 2 385.468 3.238 20 5 GGBDLO O=C(CCC1CCCCC1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535786 1408685213 /nfs/dbraw/zinc/68/52/13/1408685213.db2.gz HWDJNUWJYJSTMS-UHFFFAOYSA-N 1 2 389.496 3.478 20 5 GGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000065682421 1408711475 /nfs/dbraw/zinc/71/14/75/1408711475.db2.gz MRFPPUJYZQXUPM-UHFFFAOYSA-N 1 2 385.855 3.214 20 5 GGBDLO O=C(Nc1cccnc1N1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065862642 1408744086 /nfs/dbraw/zinc/74/40/86/1408744086.db2.gz OKXYAAWQTPTQCB-UHFFFAOYSA-N 1 2 392.419 3.418 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065956958 1408762625 /nfs/dbraw/zinc/76/26/25/1408762625.db2.gz DNVHHCNYCOMNJU-UHFFFAOYSA-N 1 2 382.464 3.443 20 5 GGBDLO Cc1nn(C[NH+]2CCC(C)(N(C)C(=O)OC(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000066450227 1408840427 /nfs/dbraw/zinc/84/04/27/1408840427.db2.gz TYAVGORARBFTQA-UHFFFAOYSA-N 1 2 381.477 3.087 20 5 GGBDLO Cc1cc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066660482 1408878805 /nfs/dbraw/zinc/87/88/05/1408878805.db2.gz NYSKWHXBIYAGHZ-UHFFFAOYSA-N 1 2 390.403 3.226 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066847403 1408929081 /nfs/dbraw/zinc/92/90/81/1408929081.db2.gz GLMCGDJUPAKBGA-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066847403 1408929087 /nfs/dbraw/zinc/92/90/87/1408929087.db2.gz GLMCGDJUPAKBGA-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066847408 1408929311 /nfs/dbraw/zinc/92/93/11/1408929311.db2.gz AMSZSKYLRRPDHQ-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066847408 1408929312 /nfs/dbraw/zinc/92/93/12/1408929312.db2.gz AMSZSKYLRRPDHQ-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066849352 1408930903 /nfs/dbraw/zinc/93/09/03/1408930903.db2.gz RGCYGYYGHDANES-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066849352 1408930908 /nfs/dbraw/zinc/93/09/08/1408930908.db2.gz RGCYGYYGHDANES-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899736 1408946644 /nfs/dbraw/zinc/94/66/44/1408946644.db2.gz KWTUNVNXGQAAHU-GOSISDBHSA-N 1 2 397.431 3.450 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899736 1408946648 /nfs/dbraw/zinc/94/66/48/1408946648.db2.gz KWTUNVNXGQAAHU-GOSISDBHSA-N 1 2 397.431 3.450 20 5 GGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000066959583 1408963771 /nfs/dbraw/zinc/96/37/71/1408963771.db2.gz YGCDPWIBXDIFKL-UHFFFAOYSA-N 1 2 380.404 3.174 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1C ZINC000176571165 1428366793 /nfs/dbraw/zinc/36/67/93/1428366793.db2.gz MTMJAILLXLFRIR-UHFFFAOYSA-N 1 2 398.463 3.488 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000067549504 1409156670 /nfs/dbraw/zinc/15/66/70/1409156670.db2.gz DAONNVXHBBQZOP-HUUCEWRRSA-N 1 2 399.447 3.465 20 5 GGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068196951 1409328337 /nfs/dbraw/zinc/32/83/37/1409328337.db2.gz NOUDGGYLUGCZFF-UHFFFAOYSA-N 1 2 394.431 3.020 20 5 GGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000068197720 1409328847 /nfs/dbraw/zinc/32/88/47/1409328847.db2.gz ILOIDCLPZOYFNU-UHFFFAOYSA-N 1 2 387.461 3.401 20 5 GGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000068217266 1409332487 /nfs/dbraw/zinc/33/24/87/1409332487.db2.gz JAVMSQMLAUVFCC-HZPDHXFCSA-N 1 2 398.463 3.255 20 5 GGBDLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c(N)c([N+](=O)[O-])c1 ZINC000068511574 1409421948 /nfs/dbraw/zinc/42/19/48/1409421948.db2.gz VMKAPRGHOBFQLE-NSHDSACASA-N 1 2 389.481 3.426 20 5 GGBDLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c(N)c([N+](=O)[O-])c1 ZINC000068511574 1409421953 /nfs/dbraw/zinc/42/19/53/1409421953.db2.gz VMKAPRGHOBFQLE-NSHDSACASA-N 1 2 389.481 3.426 20 5 GGBDLO O=C(NCC[NH+]1Cc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000068545799 1409434072 /nfs/dbraw/zinc/43/40/72/1409434072.db2.gz JPGOCSVKAMZJEY-UHFFFAOYSA-N 1 2 392.362 3.334 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000069086338 1409561461 /nfs/dbraw/zinc/56/14/61/1409561461.db2.gz CGDJBXOSSRMPAQ-QGZVFWFLSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000069086338 1409561464 /nfs/dbraw/zinc/56/14/64/1409561464.db2.gz CGDJBXOSSRMPAQ-QGZVFWFLSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000069649462 1409668685 /nfs/dbraw/zinc/66/86/85/1409668685.db2.gz GTJDHMHEQJRUMI-UHFFFAOYSA-N 1 2 399.856 3.089 20 5 GGBDLO COC(=O)c1cc(C)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000071931994 1409831122 /nfs/dbraw/zinc/83/11/22/1409831122.db2.gz YXMMPJZOKNQITD-UHFFFAOYSA-N 1 2 380.360 3.128 20 5 GGBDLO CC[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000072048647 1409841404 /nfs/dbraw/zinc/84/14/04/1409841404.db2.gz PYXGCVWTLYFCGN-IBGZPJMESA-N 1 2 389.477 3.052 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000077359170 1409895926 /nfs/dbraw/zinc/89/59/26/1409895926.db2.gz RBRSWTDFXHFRGB-UHFFFAOYSA-N 1 2 375.469 3.092 20 5 GGBDLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091844193 1410085106 /nfs/dbraw/zinc/08/51/06/1410085106.db2.gz VILGHZQPVSAYRL-GFCCVEGCSA-N 1 2 390.827 3.200 20 5 GGBDLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091844193 1410085113 /nfs/dbraw/zinc/08/51/13/1410085113.db2.gz VILGHZQPVSAYRL-GFCCVEGCSA-N 1 2 390.827 3.200 20 5 GGBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000091891345 1410090353 /nfs/dbraw/zinc/09/03/53/1410090353.db2.gz OJMSTNGDSVUHFQ-UHFFFAOYSA-N 1 2 396.394 3.119 20 5 GGBDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091901643 1410092136 /nfs/dbraw/zinc/09/21/36/1410092136.db2.gz OTZOPOYZPYOVBN-UHFFFAOYSA-N 1 2 379.420 3.066 20 5 GGBDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091901643 1410092140 /nfs/dbraw/zinc/09/21/40/1410092140.db2.gz OTZOPOYZPYOVBN-UHFFFAOYSA-N 1 2 379.420 3.066 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(CO)o3)CC2)c(C(F)(F)F)c1 ZINC000093015331 1410216328 /nfs/dbraw/zinc/21/63/28/1410216328.db2.gz OUXQYFJHWYNJAI-UHFFFAOYSA-N 1 2 385.342 3.021 20 5 GGBDLO Cc1cc(C)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000097040034 1410348136 /nfs/dbraw/zinc/34/81/36/1410348136.db2.gz FNBRPOOLFMYVEY-UHFFFAOYSA-N 1 2 398.448 3.447 20 5 GGBDLO CCn1cnnc1C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000101592778 1410474481 /nfs/dbraw/zinc/47/44/81/1410474481.db2.gz IWWMZCUJCDMQPI-UHFFFAOYSA-N 1 2 397.435 3.084 20 5 GGBDLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000101905711 1410516537 /nfs/dbraw/zinc/51/65/37/1410516537.db2.gz CIVWLSBYGZZHKQ-ZDUSSCGKSA-N 1 2 392.481 3.458 20 5 GGBDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000101905711 1410516556 /nfs/dbraw/zinc/51/65/56/1410516556.db2.gz CIVWLSBYGZZHKQ-ZDUSSCGKSA-N 1 2 392.481 3.458 20 5 GGBDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000101920552 1410524143 /nfs/dbraw/zinc/52/41/43/1410524143.db2.gz QYKDHVHUJYMSMX-MRXNPFEDSA-N 1 2 388.399 3.139 20 5 GGBDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000101920552 1410524149 /nfs/dbraw/zinc/52/41/49/1410524149.db2.gz QYKDHVHUJYMSMX-MRXNPFEDSA-N 1 2 388.399 3.139 20 5 GGBDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000102794502 1410759235 /nfs/dbraw/zinc/75/92/35/1410759235.db2.gz VQSBROAAQGOWMO-UHFFFAOYSA-N 1 2 384.436 3.262 20 5 GGBDLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000176881618 1428510713 /nfs/dbraw/zinc/51/07/13/1428510713.db2.gz PJKNGJONCDIQJI-UHFFFAOYSA-N 1 2 395.375 3.354 20 5 GGBDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177011510 1428553147 /nfs/dbraw/zinc/55/31/47/1428553147.db2.gz RKHVPNCHBMXCGW-UHFFFAOYSA-N 1 2 376.413 3.225 20 5 GGBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179656 1411347864 /nfs/dbraw/zinc/34/78/64/1411347864.db2.gz ZHVFZQDPJVFFCF-UHFFFAOYSA-N 1 2 384.436 3.065 20 5 GGBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107180629 1411348107 /nfs/dbraw/zinc/34/81/07/1411348107.db2.gz QVFLXVMKXFEPGN-UHFFFAOYSA-N 1 2 384.436 3.065 20 5 GGBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107276455 1411357542 /nfs/dbraw/zinc/35/75/42/1411357542.db2.gz OBBJHGMXWJVTKS-UHFFFAOYSA-N 1 2 383.452 3.099 20 5 GGBDLO CNC(=O)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1Cl ZINC000108730954 1411589533 /nfs/dbraw/zinc/58/95/33/1411589533.db2.gz OWSPWCURDKUYCT-UHFFFAOYSA-N 1 2 399.794 3.046 20 5 GGBDLO O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000109423943 1411759881 /nfs/dbraw/zinc/75/98/81/1411759881.db2.gz FWIMVIOPRYQCSE-UHFFFAOYSA-N 1 2 378.797 3.235 20 5 GGBDLO Cc1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)ccc1[N+](=O)[O-] ZINC000109581208 1411793205 /nfs/dbraw/zinc/79/32/05/1411793205.db2.gz JMBSQZQSXQNLMD-UHFFFAOYSA-N 1 2 380.404 3.452 20 5 GGBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110246900 1411840129 /nfs/dbraw/zinc/84/01/29/1411840129.db2.gz YWFWISLUFDOWKX-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](CCC(F)(F)F)CC2CC2)c([N+](=O)[O-])c1 ZINC000177163127 1428607111 /nfs/dbraw/zinc/60/71/11/1428607111.db2.gz IYQMHNKDDJEXKP-UHFFFAOYSA-N 1 2 375.347 3.206 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)c([N+](=O)[O-])c1 ZINC000177163127 1428607113 /nfs/dbraw/zinc/60/71/13/1428607113.db2.gz IYQMHNKDDJEXKP-UHFFFAOYSA-N 1 2 375.347 3.206 20 5 GGBDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000111375679 1411933120 /nfs/dbraw/zinc/93/31/20/1411933120.db2.gz FMAAIBYJNOLGAH-GHMZBOCLSA-N 1 2 378.454 3.300 20 5 GGBDLO CCc1ccc(-c2noc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)cc1 ZINC000112654642 1412186744 /nfs/dbraw/zinc/18/67/44/1412186744.db2.gz XDMWNEANIBREFW-MRXNPFEDSA-N 1 2 394.435 3.289 20 5 GGBDLO CCc1ccc(-c2noc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)cc1 ZINC000112654642 1412186756 /nfs/dbraw/zinc/18/67/56/1412186756.db2.gz XDMWNEANIBREFW-MRXNPFEDSA-N 1 2 394.435 3.289 20 5 GGBDLO O=[N+]([O-])c1ccccc1OCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000113722532 1412337532 /nfs/dbraw/zinc/33/75/32/1412337532.db2.gz XQYCMJHYKYJIPL-UHFFFAOYSA-N 1 2 396.403 3.056 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000114724561 1412512020 /nfs/dbraw/zinc/51/20/20/1412512020.db2.gz MTMJGAKEGRRPFR-INIZCTEOSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000114724561 1412512026 /nfs/dbraw/zinc/51/20/26/1412512026.db2.gz MTMJGAKEGRRPFR-INIZCTEOSA-N 1 2 385.420 3.388 20 5 GGBDLO CCOC(=O)c1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000115085032 1412585998 /nfs/dbraw/zinc/58/59/98/1412585998.db2.gz SYILDZUDVWTEQX-UHFFFAOYSA-N 1 2 380.360 3.210 20 5 GGBDLO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1c(F)cccc1F ZINC000115518798 1412700523 /nfs/dbraw/zinc/70/05/23/1412700523.db2.gz IXQYGPBMQIEVEZ-QGZVFWFLSA-N 1 2 390.390 3.473 20 5 GGBDLO O=C(C[N@@H+]1CCSC[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000115559426 1412710513 /nfs/dbraw/zinc/71/05/13/1412710513.db2.gz OBJXSRYEXDDWPD-IBGZPJMESA-N 1 2 383.473 3.274 20 5 GGBDLO O=C(C[N@H+]1CCSC[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000115559426 1412710519 /nfs/dbraw/zinc/71/05/19/1412710519.db2.gz OBJXSRYEXDDWPD-IBGZPJMESA-N 1 2 383.473 3.274 20 5 GGBDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccccc3[N+](=O)[O-])c2C1 ZINC000117301837 1413023270 /nfs/dbraw/zinc/02/32/70/1413023270.db2.gz MPVRXSQWOJIPBY-UHFFFAOYSA-N 1 2 390.443 3.451 20 5 GGBDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccccc3[N+](=O)[O-])c2C1 ZINC000117301837 1413023279 /nfs/dbraw/zinc/02/32/79/1413023279.db2.gz MPVRXSQWOJIPBY-UHFFFAOYSA-N 1 2 390.443 3.451 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000117615488 1413056774 /nfs/dbraw/zinc/05/67/74/1413056774.db2.gz LLXBGPBZWNSBBZ-UHFFFAOYSA-N 1 2 388.855 3.492 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000117660420 1413061579 /nfs/dbraw/zinc/06/15/79/1413061579.db2.gz JKNKUGGEBAXEEC-UHFFFAOYSA-N 1 2 389.839 3.262 20 5 GGBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000117720224 1413071961 /nfs/dbraw/zinc/07/19/61/1413071961.db2.gz MINAGZMOTDDZPF-AWEZNQCLSA-N 1 2 396.403 3.411 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000117892840 1413087469 /nfs/dbraw/zinc/08/74/69/1413087469.db2.gz ARVNHLXUHDSOAF-SFHVURJKSA-N 1 2 399.447 3.394 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000117892840 1413087481 /nfs/dbraw/zinc/08/74/81/1413087481.db2.gz ARVNHLXUHDSOAF-SFHVURJKSA-N 1 2 399.447 3.394 20 5 GGBDLO Cc1c(C[NH2+][C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000177374580 1428709003 /nfs/dbraw/zinc/70/90/03/1428709003.db2.gz FSZGASMCPOSPIY-KRWDZBQOSA-N 1 2 381.354 3.412 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177376087 1428709808 /nfs/dbraw/zinc/70/98/08/1428709808.db2.gz UYSDDKDHUKABSX-GOEBONIOSA-N 1 2 379.457 3.067 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177376087 1428709812 /nfs/dbraw/zinc/70/98/12/1428709812.db2.gz UYSDDKDHUKABSX-GOEBONIOSA-N 1 2 379.457 3.067 20 5 GGBDLO Cc1c(NC(=O)CCN2CC[NH+]([C@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000118835512 1413237359 /nfs/dbraw/zinc/23/73/59/1413237359.db2.gz XUCHXTXIICUXEN-QGZVFWFLSA-N 1 2 397.479 3.006 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000119027510 1413309818 /nfs/dbraw/zinc/30/98/18/1413309818.db2.gz LAOUPXNWGINNHV-CYBMUJFWSA-N 1 2 379.457 3.210 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000119033766 1413311491 /nfs/dbraw/zinc/31/14/91/1413311491.db2.gz BZXYTMALKPLWOY-ZDUSSCGKSA-N 1 2 379.457 3.210 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000119033878 1413311566 /nfs/dbraw/zinc/31/15/66/1413311566.db2.gz BZXYTMALKPLWOY-CYBMUJFWSA-N 1 2 379.457 3.210 20 5 GGBDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000177413066 1428725452 /nfs/dbraw/zinc/72/54/52/1428725452.db2.gz RKDFAEBAERJVKH-SCLBCKFNSA-N 1 2 396.403 3.285 20 5 GGBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000119442642 1413448167 /nfs/dbraw/zinc/44/81/67/1413448167.db2.gz LAVUMKXAPDCQOO-CQSZACIVSA-N 1 2 388.424 3.349 20 5 GGBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000119442642 1413448173 /nfs/dbraw/zinc/44/81/73/1413448173.db2.gz LAVUMKXAPDCQOO-CQSZACIVSA-N 1 2 388.424 3.349 20 5 GGBDLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000119692594 1413533540 /nfs/dbraw/zinc/53/35/40/1413533540.db2.gz ODCJPGFGTQFLFF-QFIPXVFZSA-N 1 2 388.427 3.258 20 5 GGBDLO CC[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000120132878 1413701016 /nfs/dbraw/zinc/70/10/16/1413701016.db2.gz HTXLNDYVUZBXLG-CRAIPNDOSA-N 1 2 385.468 3.444 20 5 GGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120140980 1413704029 /nfs/dbraw/zinc/70/40/29/1413704029.db2.gz DLVOAOPSJUGIAT-CVEARBPZSA-N 1 2 385.468 3.362 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120304345 1413776454 /nfs/dbraw/zinc/77/64/54/1413776454.db2.gz BYRWVGHHAJRCOE-UHFFFAOYSA-N 1 2 398.463 3.366 20 5 GGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000120312694 1413780478 /nfs/dbraw/zinc/78/04/78/1413780478.db2.gz UGLKTIOWTLIRCR-UHFFFAOYSA-N 1 2 386.455 3.215 20 5 GGBDLO COc1cc(OC)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000120588139 1413849282 /nfs/dbraw/zinc/84/92/82/1413849282.db2.gz PJIOOLSDOSVDTR-UHFFFAOYSA-N 1 2 386.339 3.189 20 5 GGBDLO Cc1cc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)no1 ZINC000120592265 1413850575 /nfs/dbraw/zinc/85/05/75/1413850575.db2.gz PLADOGAPMALBIM-UHFFFAOYSA-N 1 2 382.420 3.469 20 5 GGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120839472 1413921823 /nfs/dbraw/zinc/92/18/23/1413921823.db2.gz CEMDFZKIMVVWPO-CYBMUJFWSA-N 1 2 376.844 3.006 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000120986619 1413969239 /nfs/dbraw/zinc/96/92/39/1413969239.db2.gz WRDGOVQXYBXNTH-UHFFFAOYSA-N 1 2 393.359 3.282 20 5 GGBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121115207 1414012759 /nfs/dbraw/zinc/01/27/59/1414012759.db2.gz RYQZLTBOJYTOAU-MRXNPFEDSA-N 1 2 396.428 3.407 20 5 GGBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121115060 1414012799 /nfs/dbraw/zinc/01/27/99/1414012799.db2.gz RYQZLTBOJYTOAU-INIZCTEOSA-N 1 2 396.428 3.407 20 5 GGBDLO O=C(C[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000121258643 1414062123 /nfs/dbraw/zinc/06/21/23/1414062123.db2.gz BOVCYWHYEDTRIV-AWEZNQCLSA-N 1 2 387.392 3.472 20 5 GGBDLO O=C(C[N@H+]1CCCCC[C@H]1c1ccco1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000121258643 1414062131 /nfs/dbraw/zinc/06/21/31/1414062131.db2.gz BOVCYWHYEDTRIV-AWEZNQCLSA-N 1 2 387.392 3.472 20 5 GGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121436647 1414122598 /nfs/dbraw/zinc/12/25/98/1414122598.db2.gz SZPAQAFBXICTOB-HNNXBMFYSA-N 1 2 391.811 3.092 20 5 GGBDLO CCNC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000121553780 1414174425 /nfs/dbraw/zinc/17/44/25/1414174425.db2.gz IDIUBYNBGBEOMC-UHFFFAOYSA-N 1 2 392.843 3.355 20 5 GGBDLO CN(C(=O)C[N@H+](C)Cc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000121570931 1414182352 /nfs/dbraw/zinc/18/23/52/1414182352.db2.gz FVJCOUMIHAFKNR-UHFFFAOYSA-N 1 2 382.464 3.290 20 5 GGBDLO CN(C(=O)C[N@@H+](C)Cc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000121570931 1414182359 /nfs/dbraw/zinc/18/23/59/1414182359.db2.gz FVJCOUMIHAFKNR-UHFFFAOYSA-N 1 2 382.464 3.290 20 5 GGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121731156 1414239318 /nfs/dbraw/zinc/23/93/18/1414239318.db2.gz PTCUVLZAPZXFBF-SJLPKXTDSA-N 1 2 392.477 3.250 20 5 GGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121731156 1414239326 /nfs/dbraw/zinc/23/93/26/1414239326.db2.gz PTCUVLZAPZXFBF-SJLPKXTDSA-N 1 2 392.477 3.250 20 5 GGBDLO O=C(C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000121881500 1414288986 /nfs/dbraw/zinc/28/89/86/1414288986.db2.gz ULRHGTGTUVORTE-HNNXBMFYSA-N 1 2 399.472 3.283 20 5 GGBDLO O=C(C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000121881500 1414288992 /nfs/dbraw/zinc/28/89/92/1414288992.db2.gz ULRHGTGTUVORTE-HNNXBMFYSA-N 1 2 399.472 3.283 20 5 GGBDLO O=C(C[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000121881669 1414289824 /nfs/dbraw/zinc/28/98/24/1414289824.db2.gz ULRHGTGTUVORTE-OAHLLOKOSA-N 1 2 399.472 3.283 20 5 GGBDLO O=C(C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000121881669 1414289828 /nfs/dbraw/zinc/28/98/28/1414289828.db2.gz ULRHGTGTUVORTE-OAHLLOKOSA-N 1 2 399.472 3.283 20 5 GGBDLO C[N@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000122688126 1414538498 /nfs/dbraw/zinc/53/84/98/1414538498.db2.gz ZAYSHCRPRZJTHG-UHFFFAOYSA-N 1 2 389.839 3.069 20 5 GGBDLO C[N@@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000122688126 1414538502 /nfs/dbraw/zinc/53/85/02/1414538502.db2.gz ZAYSHCRPRZJTHG-UHFFFAOYSA-N 1 2 389.839 3.069 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000122974309 1414610258 /nfs/dbraw/zinc/61/02/58/1414610258.db2.gz FJSFAZTYUDXLEQ-UHFFFAOYSA-N 1 2 381.392 3.170 20 5 GGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124153544 1414896697 /nfs/dbraw/zinc/89/66/97/1414896697.db2.gz NEGDTHAMVFGJPA-KRWDZBQOSA-N 1 2 375.812 3.088 20 5 GGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124153544 1414896704 /nfs/dbraw/zinc/89/67/04/1414896704.db2.gz NEGDTHAMVFGJPA-KRWDZBQOSA-N 1 2 375.812 3.088 20 5 GGBDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000125740986 1415267783 /nfs/dbraw/zinc/26/77/83/1415267783.db2.gz OVSVSUCSAFJBDQ-GOEBONIOSA-N 1 2 376.434 3.086 20 5 GGBDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000125740986 1415267790 /nfs/dbraw/zinc/26/77/90/1415267790.db2.gz OVSVSUCSAFJBDQ-GOEBONIOSA-N 1 2 376.434 3.086 20 5 GGBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000125741431 1415267941 /nfs/dbraw/zinc/26/79/41/1415267941.db2.gz OVSVSUCSAFJBDQ-HOCLYGCPSA-N 1 2 376.434 3.086 20 5 GGBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000125741431 1415267943 /nfs/dbraw/zinc/26/79/43/1415267943.db2.gz OVSVSUCSAFJBDQ-HOCLYGCPSA-N 1 2 376.434 3.086 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000125889044 1415305340 /nfs/dbraw/zinc/30/53/40/1415305340.db2.gz RQROCYKSGPKKNL-BEFAXECRSA-N 1 2 383.452 3.115 20 5 GGBDLO CC(=O)c1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000126002010 1415333801 /nfs/dbraw/zinc/33/38/01/1415333801.db2.gz LXBIWPVNCHQGRN-UHFFFAOYSA-N 1 2 399.447 3.121 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000126141645 1415368014 /nfs/dbraw/zinc/36/80/14/1415368014.db2.gz PLZQDTCNITVUQV-UHFFFAOYSA-N 1 2 391.374 3.266 20 5 GGBDLO O=C(COc1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000177988764 1428918661 /nfs/dbraw/zinc/91/86/61/1428918661.db2.gz CXYOJUNVXZWJSN-UHFFFAOYSA-N 1 2 395.868 3.033 20 5 GGBDLO C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000126539117 1415483573 /nfs/dbraw/zinc/48/35/73/1415483573.db2.gz ZTKRQLPGPXDEHJ-CJNGLKHVSA-N 1 2 392.843 3.323 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000126883179 1415594703 /nfs/dbraw/zinc/59/47/03/1415594703.db2.gz OFIAUUBRXWFMPS-GOSISDBHSA-N 1 2 376.416 3.266 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000126883179 1415594708 /nfs/dbraw/zinc/59/47/08/1415594708.db2.gz OFIAUUBRXWFMPS-GOSISDBHSA-N 1 2 376.416 3.266 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000127040325 1415645871 /nfs/dbraw/zinc/64/58/71/1415645871.db2.gz ZDXFKBLFGMGAPP-QZTJIDSGSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000127040325 1415645877 /nfs/dbraw/zinc/64/58/77/1415645877.db2.gz ZDXFKBLFGMGAPP-QZTJIDSGSA-N 1 2 389.839 3.050 20 5 GGBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000178070029 1428968523 /nfs/dbraw/zinc/96/85/23/1428968523.db2.gz HPRUWIXWRLDPFF-UHFFFAOYSA-N 1 2 379.420 3.163 20 5 GGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)n2)C1 ZINC000127105281 1415661271 /nfs/dbraw/zinc/66/12/71/1415661271.db2.gz NPICBMUCHOSHPO-SNVBAGLBSA-N 1 2 393.444 3.257 20 5 GGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)n2)C1 ZINC000127105281 1415661278 /nfs/dbraw/zinc/66/12/78/1415661278.db2.gz NPICBMUCHOSHPO-SNVBAGLBSA-N 1 2 393.444 3.257 20 5 GGBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1N1CCCC1 ZINC000127197780 1415684591 /nfs/dbraw/zinc/68/45/91/1415684591.db2.gz HOHNDZOZQWCEEF-UHFFFAOYSA-N 1 2 394.475 3.216 20 5 GGBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1N1CCCC1 ZINC000127197780 1415684597 /nfs/dbraw/zinc/68/45/97/1415684597.db2.gz HOHNDZOZQWCEEF-UHFFFAOYSA-N 1 2 394.475 3.216 20 5 GGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000127379800 1415759806 /nfs/dbraw/zinc/75/98/06/1415759806.db2.gz DGPBESCZSXCRDJ-OAHLLOKOSA-N 1 2 388.493 3.287 20 5 GGBDLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127742464 1415842283 /nfs/dbraw/zinc/84/22/83/1415842283.db2.gz YBFFUARCFXCWHE-UHFFFAOYSA-N 1 2 383.326 3.224 20 5 GGBDLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127742464 1415842285 /nfs/dbraw/zinc/84/22/85/1415842285.db2.gz YBFFUARCFXCWHE-UHFFFAOYSA-N 1 2 383.326 3.224 20 5 GGBDLO CN(C)c1cc(COc2cc([N+](=O)[O-])ccc2I)cc[nH+]1 ZINC000128173075 1415930802 /nfs/dbraw/zinc/93/08/02/1415930802.db2.gz WWKTXEFLHRCJBZ-UHFFFAOYSA-N 1 2 399.188 3.239 20 5 GGBDLO COc1cc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)ccc1O ZINC000128416288 1415981989 /nfs/dbraw/zinc/98/19/89/1415981989.db2.gz HGKUOQUINXICTD-UHFFFAOYSA-N 1 2 385.420 3.221 20 5 GGBDLO COc1cc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)ccc1O ZINC000128416288 1415981994 /nfs/dbraw/zinc/98/19/94/1415981994.db2.gz HGKUOQUINXICTD-UHFFFAOYSA-N 1 2 385.420 3.221 20 5 GGBDLO COc1cc(C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)ccc1O ZINC000128610761 1416024805 /nfs/dbraw/zinc/02/48/05/1416024805.db2.gz SJMREXPYJSOWRN-UHFFFAOYSA-N 1 2 385.420 3.221 20 5 GGBDLO COc1cc(C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)ccc1O ZINC000128610761 1416024813 /nfs/dbraw/zinc/02/48/13/1416024813.db2.gz SJMREXPYJSOWRN-UHFFFAOYSA-N 1 2 385.420 3.221 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000178320294 1429051277 /nfs/dbraw/zinc/05/12/77/1429051277.db2.gz XMJDYCUXUHFFJP-UHFFFAOYSA-N 1 2 393.465 3.053 20 5 GGBDLO O=[N+]([O-])c1cccc(CCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000129228144 1416175191 /nfs/dbraw/zinc/17/51/91/1416175191.db2.gz NHGDIQGOBBHAEE-UHFFFAOYSA-N 1 2 394.431 3.262 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000129545858 1416225610 /nfs/dbraw/zinc/22/56/10/1416225610.db2.gz MIOCJESFYVKLNP-ZDUSSCGKSA-N 1 2 375.450 3.184 20 5 GGBDLO O=C(NCCCn1cc[nH+]c1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000130176894 1416333098 /nfs/dbraw/zinc/33/30/98/1416333098.db2.gz YEGDUQRXDBQTSS-UHFFFAOYSA-N 1 2 387.621 3.027 20 5 GGBDLO CCOC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000130257369 1416347622 /nfs/dbraw/zinc/34/76/22/1416347622.db2.gz HWQAQXDTHAYWGT-GFCCVEGCSA-N 1 2 397.859 3.240 20 5 GGBDLO CC(C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OC(C)(C)C ZINC000130475269 1416384589 /nfs/dbraw/zinc/38/45/89/1416384589.db2.gz KMJUWOODYNBGJD-INIZCTEOSA-N 1 2 383.420 3.018 20 5 GGBDLO O=C(NCc1csc(-c2ccco2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000131530705 1416572069 /nfs/dbraw/zinc/57/20/69/1416572069.db2.gz BRRXERVGSRWEBI-UHFFFAOYSA-N 1 2 395.400 3.427 20 5 GGBDLO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178578254 1429112241 /nfs/dbraw/zinc/11/22/41/1429112241.db2.gz SYGDHDWBFCGLNW-YJYMSZOUSA-N 1 2 398.394 3.162 20 5 GGBDLO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178578274 1429112493 /nfs/dbraw/zinc/11/24/93/1429112493.db2.gz SYGDHDWBFCGLNW-BFUOFWGJSA-N 1 2 398.394 3.162 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(F)c1 ZINC000132317581 1416734965 /nfs/dbraw/zinc/73/49/65/1416734965.db2.gz NUPOXJKJCBVMIY-UHFFFAOYSA-N 1 2 393.440 3.173 20 5 GGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCCO[C@H](C)C1 ZINC000178629648 1429125082 /nfs/dbraw/zinc/12/50/82/1429125082.db2.gz FJAKYAUYROHOIG-OLZOCXBDSA-N 1 2 390.465 3.156 20 5 GGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCCO[C@H](C)C1 ZINC000178629648 1429125089 /nfs/dbraw/zinc/12/50/89/1429125089.db2.gz FJAKYAUYROHOIG-OLZOCXBDSA-N 1 2 390.465 3.156 20 5 GGBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000132427692 1416758126 /nfs/dbraw/zinc/75/81/26/1416758126.db2.gz XNCZTOQEURHCJO-UHFFFAOYSA-N 1 2 398.350 3.178 20 5 GGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000134021712 1417010517 /nfs/dbraw/zinc/01/05/17/1417010517.db2.gz QFROJLXCSUMCQY-KXBFYZLASA-N 1 2 383.452 3.115 20 5 GGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000134021510 1417010726 /nfs/dbraw/zinc/01/07/26/1417010726.db2.gz QFROJLXCSUMCQY-BEFAXECRSA-N 1 2 383.452 3.115 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000134668079 1417110723 /nfs/dbraw/zinc/11/07/23/1417110723.db2.gz KMOMFWXMCLPJFB-UHFFFAOYSA-N 1 2 376.800 3.041 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](Cc4cccc(F)c4)CC3)o2)cc1 ZINC000178773394 1429166215 /nfs/dbraw/zinc/16/62/15/1429166215.db2.gz MDONPFAONXEMNE-UHFFFAOYSA-N 1 2 397.410 3.102 20 5 GGBDLO COc1cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OC(F)F ZINC000135601934 1417244322 /nfs/dbraw/zinc/24/43/22/1417244322.db2.gz KZBBNVNCLGTBDN-CYBMUJFWSA-N 1 2 396.394 3.448 20 5 GGBDLO COc1cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OC(F)F ZINC000135601934 1417244328 /nfs/dbraw/zinc/24/43/28/1417244328.db2.gz KZBBNVNCLGTBDN-CYBMUJFWSA-N 1 2 396.394 3.448 20 5 GGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000136755484 1417343684 /nfs/dbraw/zinc/34/36/84/1417343684.db2.gz ADPIJFDFRQJJKA-UHFFFAOYSA-N 1 2 384.417 3.322 20 5 GGBDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137036624 1417363723 /nfs/dbraw/zinc/36/37/23/1417363723.db2.gz DIJOSAQMAMAEIO-XOBRGWDASA-N 1 2 391.418 3.285 20 5 GGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000137076709 1417366497 /nfs/dbraw/zinc/36/64/97/1417366497.db2.gz ULJBDQDJNNWSTF-IBGZPJMESA-N 1 2 375.856 3.099 20 5 GGBDLO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000137076709 1417366500 /nfs/dbraw/zinc/36/65/00/1417366500.db2.gz ULJBDQDJNNWSTF-IBGZPJMESA-N 1 2 375.856 3.099 20 5 GGBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000137076743 1417366842 /nfs/dbraw/zinc/36/68/42/1417366842.db2.gz ULJBDQDJNNWSTF-LJQANCHMSA-N 1 2 375.856 3.099 20 5 GGBDLO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000137076743 1417366847 /nfs/dbraw/zinc/36/68/47/1417366847.db2.gz ULJBDQDJNNWSTF-LJQANCHMSA-N 1 2 375.856 3.099 20 5 GGBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCCCC2)no1 ZINC000138849364 1417439178 /nfs/dbraw/zinc/43/91/78/1417439178.db2.gz BIMLYHLJHZKRAQ-UHFFFAOYSA-N 1 2 387.440 3.372 20 5 GGBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000178838498 1429189304 /nfs/dbraw/zinc/18/93/04/1429189304.db2.gz TZIZVERCLJZESA-CZUORRHYSA-N 1 2 378.388 3.075 20 5 GGBDLO O=C(O[C@H]([C@H]1CCCO1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178897438 1429214191 /nfs/dbraw/zinc/21/41/91/1429214191.db2.gz UTCWNUFPUCZOBS-ZIAGYGMSSA-N 1 2 385.298 3.047 20 5 GGBDLO O=C(O[C@@H]([C@H]1CCCO1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178897428 1429214374 /nfs/dbraw/zinc/21/43/74/1429214374.db2.gz UTCWNUFPUCZOBS-KGLIPLIRSA-N 1 2 385.298 3.047 20 5 GGBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(c3)CCO4)no2)ccc1-n1cc[nH+]c1 ZINC000178927469 1429222187 /nfs/dbraw/zinc/22/21/87/1429222187.db2.gz GIALBSALVSLGJJ-UHFFFAOYSA-N 1 2 375.344 3.432 20 5 GGBDLO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151964222 1418107464 /nfs/dbraw/zinc/10/74/64/1418107464.db2.gz OCTPGZRRMBNAOR-CJNGLKHVSA-N 1 2 393.827 3.368 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151964222 1418107466 /nfs/dbraw/zinc/10/74/66/1418107466.db2.gz OCTPGZRRMBNAOR-CJNGLKHVSA-N 1 2 393.827 3.368 20 5 GGBDLO CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179120616 1429268698 /nfs/dbraw/zinc/26/86/98/1429268698.db2.gz IIHRIFWKJVWCCO-SFHVURJKSA-N 1 2 394.431 3.194 20 5 GGBDLO O=C(OCc1ccn(-c2ccccc2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179408948 1429363290 /nfs/dbraw/zinc/36/32/90/1429363290.db2.gz HECYCMDQCSQNKP-UHFFFAOYSA-N 1 2 389.371 3.323 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000179419556 1429367890 /nfs/dbraw/zinc/36/78/90/1429367890.db2.gz ZDKWLCCBADUYJV-GOEBONIOSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000179419556 1429367896 /nfs/dbraw/zinc/36/78/96/1429367896.db2.gz ZDKWLCCBADUYJV-GOEBONIOSA-N 1 2 395.868 3.111 20 5 GGBDLO CCc1nn(C)cc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000179578596 1429448216 /nfs/dbraw/zinc/44/82/16/1429448216.db2.gz MFNRDEDYNCHFDA-UHFFFAOYSA-N 1 2 397.401 3.232 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1C ZINC000179719444 1429521020 /nfs/dbraw/zinc/52/10/20/1429521020.db2.gz BQHLJDRTHONFAG-UHFFFAOYSA-N 1 2 395.419 3.073 20 5 GGBDLO Cc1cc(CN2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)no1 ZINC000179737068 1429529742 /nfs/dbraw/zinc/52/97/42/1429529742.db2.gz NCXGUIUZSRFNGM-UHFFFAOYSA-N 1 2 382.420 3.469 20 5 GGBDLO CC(C)(C)OC(=O)N1CC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000152493307 1422119572 /nfs/dbraw/zinc/11/95/72/1422119572.db2.gz WIFWRYWMFHRZKZ-UHFFFAOYSA-N 1 2 390.465 3.427 20 5 GGBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152494855 1422120566 /nfs/dbraw/zinc/12/05/66/1422120566.db2.gz MZNUHSNEBHXULV-AWEZNQCLSA-N 1 2 395.444 3.122 20 5 GGBDLO COc1ccc(NC(=O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000152978040 1422315121 /nfs/dbraw/zinc/31/51/21/1422315121.db2.gz HMVCDCCSVZVKPH-UHFFFAOYSA-N 1 2 398.463 3.427 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000179764697 1429548198 /nfs/dbraw/zinc/54/81/98/1429548198.db2.gz UPQXSZSXKCOZSH-RTBURBONSA-N 1 2 375.856 3.410 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000179764697 1429548208 /nfs/dbraw/zinc/54/82/08/1429548208.db2.gz UPQXSZSXKCOZSH-RTBURBONSA-N 1 2 375.856 3.410 20 5 GGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCCc1c(F)cccc1F ZINC000153238451 1422411276 /nfs/dbraw/zinc/41/12/76/1422411276.db2.gz XDTPIFPSEILUDH-UHFFFAOYSA-N 1 2 389.402 3.196 20 5 GGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCCc1c(F)cccc1F ZINC000153238451 1422411296 /nfs/dbraw/zinc/41/12/96/1422411296.db2.gz XDTPIFPSEILUDH-UHFFFAOYSA-N 1 2 389.402 3.196 20 5 GGBDLO COCc1ccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153284201 1422438456 /nfs/dbraw/zinc/43/84/56/1422438456.db2.gz PRZNNICJOMNNSB-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO 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/nfs/dbraw/zinc/91/26/77/1423912677.db2.gz PBAAHCLYRCYDLQ-INIZCTEOSA-N 1 2 376.434 3.006 20 5 GGBDLO Cn1cc(C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 ZINC000157105181 1423926511 /nfs/dbraw/zinc/92/65/11/1423926511.db2.gz JHHYDRITAFTQIN-GOSISDBHSA-N 1 2 399.838 3.451 20 5 GGBDLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157635495 1424053336 /nfs/dbraw/zinc/05/33/36/1424053336.db2.gz ITISRMNWFZRALY-HNNXBMFYSA-N 1 2 398.250 3.201 20 5 GGBDLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157635495 1424053343 /nfs/dbraw/zinc/05/33/43/1424053343.db2.gz ITISRMNWFZRALY-HNNXBMFYSA-N 1 2 398.250 3.201 20 5 GGBDLO C[C@H](O)C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000158883185 1424363858 /nfs/dbraw/zinc/36/38/58/1424363858.db2.gz GVDRIMAMHSCUBI-YJBOKZPZSA-N 1 2 394.431 3.065 20 5 GGBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000159022442 1424398758 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SCXGZCTVYAIOIA-NRFANRHFSA-N 1 2 384.432 3.156 20 5 GGBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159251814 1424460304 /nfs/dbraw/zinc/46/03/04/1424460304.db2.gz JDLBMCWXSMGIAB-UHFFFAOYSA-N 1 2 395.419 3.235 20 5 GGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000180111202 1429742523 /nfs/dbraw/zinc/74/25/23/1429742523.db2.gz DPYPWZWBLNONND-UHFFFAOYSA-N 1 2 386.477 3.453 20 5 GGBDLO CCOC(=O)c1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc([N+](=O)[O-])c1 ZINC000161806822 1424768675 /nfs/dbraw/zinc/76/86/75/1424768675.db2.gz MVWXHRNBEQJHDN-UHFFFAOYSA-N 1 2 380.360 3.414 20 5 GGBDLO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000161953107 1424802679 /nfs/dbraw/zinc/80/26/79/1424802679.db2.gz UPPWVHAYEAMFHE-CYBMUJFWSA-N 1 2 397.859 3.242 20 5 GGBDLO CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000161953107 1424802681 /nfs/dbraw/zinc/80/26/81/1424802681.db2.gz UPPWVHAYEAMFHE-CYBMUJFWSA-N 1 2 397.859 3.242 20 5 GGBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000164063405 1425073100 /nfs/dbraw/zinc/07/31/00/1425073100.db2.gz VYIPNKGMFIJWFJ-UHFFFAOYSA-N 1 2 393.509 3.034 20 5 GGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000164409691 1425108372 /nfs/dbraw/zinc/10/83/72/1425108372.db2.gz AXGAOUGLBMZEBM-QRWLVFNGSA-N 1 2 383.448 3.367 20 5 GGBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)Cn1cc[nH+]c1 ZINC000165160255 1425168035 /nfs/dbraw/zinc/16/80/35/1425168035.db2.gz DOLBTEXCVUERIA-MRXNPFEDSA-N 1 2 393.447 3.470 20 5 GGBDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000170775658 1425336487 /nfs/dbraw/zinc/33/64/87/1425336487.db2.gz VUNUNVYOQLRNKK-UHFFFAOYSA-N 1 2 375.400 3.338 20 5 GGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000171091346 1425478193 /nfs/dbraw/zinc/47/81/93/1425478193.db2.gz XSPSEJXYZIQEDB-CZUORRHYSA-N 1 2 396.403 3.478 20 5 GGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000171091346 1425478196 /nfs/dbraw/zinc/47/81/96/1425478196.db2.gz XSPSEJXYZIQEDB-CZUORRHYSA-N 1 2 396.403 3.478 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)c1 ZINC000171483864 1425701096 /nfs/dbraw/zinc/70/10/96/1425701096.db2.gz QFRISYHPQWAQSJ-HNNXBMFYSA-N 1 2 398.463 3.013 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000171586750 1425747421 /nfs/dbraw/zinc/74/74/21/1425747421.db2.gz GFHOCMHKMFVMTO-AWEZNQCLSA-N 1 2 387.411 3.262 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000171588954 1425750196 /nfs/dbraw/zinc/75/01/96/1425750196.db2.gz UQZMFXMKBZPEJL-MRXNPFEDSA-N 1 2 383.448 3.431 20 5 GGBDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000172170112 1425930787 /nfs/dbraw/zinc/93/07/87/1425930787.db2.gz XBMSTLRYYPVNIU-AWEZNQCLSA-N 1 2 387.436 3.461 20 5 GGBDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000172170112 1425930793 /nfs/dbraw/zinc/93/07/93/1425930793.db2.gz XBMSTLRYYPVNIU-AWEZNQCLSA-N 1 2 387.436 3.461 20 5 GGBDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000172170116 1425930827 /nfs/dbraw/zinc/93/08/27/1425930827.db2.gz XBMSTLRYYPVNIU-CQSZACIVSA-N 1 2 387.436 3.461 20 5 GGBDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000172170116 1425930832 /nfs/dbraw/zinc/93/08/32/1425930832.db2.gz XBMSTLRYYPVNIU-CQSZACIVSA-N 1 2 387.436 3.461 20 5 GGBDLO CCc1ccc([C@H](COC)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000172699964 1426150092 /nfs/dbraw/zinc/15/00/92/1426150092.db2.gz YBENMRPJYBLIGA-HNNXBMFYSA-N 1 2 384.392 3.053 20 5 GGBDLO COc1ccc(C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C2CC2)cc1 ZINC000172892578 1426242410 /nfs/dbraw/zinc/24/24/10/1426242410.db2.gz ITFOVHCNBMBHFY-UHFFFAOYSA-N 1 2 379.420 3.484 20 5 GGBDLO COc1ccc(C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C2CC2)cc1 ZINC000172892578 1426242414 /nfs/dbraw/zinc/24/24/14/1426242414.db2.gz ITFOVHCNBMBHFY-UHFFFAOYSA-N 1 2 379.420 3.484 20 5 GGBDLO O=C(NCCCNc1cccc[nH+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173140402 1426361419 /nfs/dbraw/zinc/36/14/19/1426361419.db2.gz WRZUGCBBIMOWCD-UHFFFAOYSA-N 1 2 399.451 3.045 20 5 GGBDLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173465957 1426640905 /nfs/dbraw/zinc/64/09/05/1426640905.db2.gz VSKLVIWZOSLLCN-QGZVFWFLSA-N 1 2 383.452 3.238 20 5 GGBDLO CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173465957 1426640916 /nfs/dbraw/zinc/64/09/16/1426640916.db2.gz VSKLVIWZOSLLCN-QGZVFWFLSA-N 1 2 383.452 3.238 20 5 GGBDLO Cc1cnc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000173604801 1426777992 /nfs/dbraw/zinc/77/79/92/1426777992.db2.gz BOMWZQRCUPNALP-INIZCTEOSA-N 1 2 383.433 3.427 20 5 GGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000173673781 1426817170 /nfs/dbraw/zinc/81/71/70/1426817170.db2.gz DAIUGCHYXIWCCY-FOIQADDNSA-N 1 2 392.415 3.383 20 5 GGBDLO Cc1cc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000173689464 1426821774 /nfs/dbraw/zinc/82/17/74/1426821774.db2.gz ZSQOTNSDHZHKCN-INIZCTEOSA-N 1 2 398.444 3.092 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000174186258 1427038450 /nfs/dbraw/zinc/03/84/50/1427038450.db2.gz KPWHYHJPRUEDJS-UHFFFAOYSA-N 1 2 398.463 3.068 20 5 GGBDLO Cc1cc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000174190158 1427041258 /nfs/dbraw/zinc/04/12/58/1427041258.db2.gz DLTQGJATVYJPBE-UHFFFAOYSA-N 1 2 382.464 3.368 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174202140 1427047634 /nfs/dbraw/zinc/04/76/34/1427047634.db2.gz CZNNAKGRHPREFK-UHFFFAOYSA-N 1 2 398.463 3.068 20 5 GGBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000174361633 1427120278 /nfs/dbraw/zinc/12/02/78/1427120278.db2.gz CFXZXBJBPYLIGP-CYBMUJFWSA-N 1 2 384.367 3.117 20 5 GGBDLO Cc1nnc(-c2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2)o1 ZINC000174368337 1427123256 /nfs/dbraw/zinc/12/32/56/1427123256.db2.gz DIPXGJCLRQSLLN-UHFFFAOYSA-N 1 2 390.359 3.391 20 5 GGBDLO COC(=O)CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1cccc(F)c1F ZINC000174489388 1427178728 /nfs/dbraw/zinc/17/87/28/1427178728.db2.gz AWIFABJORGKTBW-UHFFFAOYSA-N 1 2 394.374 3.447 20 5 GGBDLO COC(=O)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1cccc(F)c1F ZINC000174489388 1427178729 /nfs/dbraw/zinc/17/87/29/1427178729.db2.gz AWIFABJORGKTBW-UHFFFAOYSA-N 1 2 394.374 3.447 20 5 GGBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1O ZINC000174628001 1427273380 /nfs/dbraw/zinc/27/33/80/1427273380.db2.gz YBCLEUYZKIAJTE-UHFFFAOYSA-N 1 2 379.800 3.033 20 5 GGBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1O ZINC000174628001 1427273393 /nfs/dbraw/zinc/27/33/93/1427273393.db2.gz YBCLEUYZKIAJTE-UHFFFAOYSA-N 1 2 379.800 3.033 20 5 GGBDLO Cc1ccc(NC(=O)N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000174861763 1427413698 /nfs/dbraw/zinc/41/36/98/1427413698.db2.gz JFYSRLZYZXIVBX-UHFFFAOYSA-N 1 2 384.436 3.132 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000174900865 1427435105 /nfs/dbraw/zinc/43/51/05/1427435105.db2.gz GMGYTBKLQDQPRN-UHFFFAOYSA-N 1 2 398.463 3.377 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000174906050 1427438676 /nfs/dbraw/zinc/43/86/76/1427438676.db2.gz UIJUDIOAGNBKAX-UHFFFAOYSA-N 1 2 398.463 3.377 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000175059048 1427524519 /nfs/dbraw/zinc/52/45/19/1427524519.db2.gz TZPPVPGTJYMHMU-UHFFFAOYSA-N 1 2 383.448 3.342 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000175059048 1427524525 /nfs/dbraw/zinc/52/45/25/1427524525.db2.gz TZPPVPGTJYMHMU-UHFFFAOYSA-N 1 2 383.448 3.342 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000175287763 1427648531 /nfs/dbraw/zinc/64/85/31/1427648531.db2.gz CPICVQDOSDXBPQ-UHFFFAOYSA-N 1 2 391.497 3.120 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000175287763 1427648538 /nfs/dbraw/zinc/64/85/38/1427648538.db2.gz CPICVQDOSDXBPQ-UHFFFAOYSA-N 1 2 391.497 3.120 20 5 GGBDLO Cc1ccc([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000175694196 1427860723 /nfs/dbraw/zinc/86/07/23/1427860723.db2.gz KALLFKFIKFRGNI-HNNXBMFYSA-N 1 2 383.452 3.459 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000176034474 1428038006 /nfs/dbraw/zinc/03/80/06/1428038006.db2.gz ZTMLHALPUHPIPF-OKILXGFUSA-N 1 2 384.436 3.039 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000176034474 1428038014 /nfs/dbraw/zinc/03/80/14/1428038014.db2.gz ZTMLHALPUHPIPF-OKILXGFUSA-N 1 2 384.436 3.039 20 5 GGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000176090875 1428077261 /nfs/dbraw/zinc/07/72/61/1428077261.db2.gz BFTLQOHDLQUBMV-WEVVVXLNSA-N 1 2 379.460 3.385 20 5 GGBDLO Cc1nn(C[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000176151276 1428120897 /nfs/dbraw/zinc/12/08/97/1428120897.db2.gz DQQLWUKHGWZWPH-HNNXBMFYSA-N 1 2 383.493 3.237 20 5 GGBDLO Cc1nn(C[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000176151276 1428120903 /nfs/dbraw/zinc/12/09/03/1428120903.db2.gz DQQLWUKHGWZWPH-HNNXBMFYSA-N 1 2 383.493 3.237 20 5 GGBDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)c(F)c1 ZINC000180363617 1429846780 /nfs/dbraw/zinc/84/67/80/1429846780.db2.gz TXKDTSYGMRZERY-QGZVFWFLSA-N 1 2 380.347 3.217 20 5 GGBDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)c(F)c1 ZINC000180363604 1429846797 /nfs/dbraw/zinc/84/67/97/1429846797.db2.gz TXKDTSYGMRZERY-KRWDZBQOSA-N 1 2 380.347 3.217 20 5 GGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)cc1 ZINC000180599409 1429923189 /nfs/dbraw/zinc/92/31/89/1429923189.db2.gz SBGKVLHMVSVRHR-UHFFFAOYSA-N 1 2 382.464 3.258 20 5 GGBDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2C1 ZINC000180713927 1429995753 /nfs/dbraw/zinc/99/57/53/1429995753.db2.gz AHTRMMQTQYAXSA-UHFFFAOYSA-N 1 2 389.477 3.303 20 5 GGBDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2C1 ZINC000180713927 1429995756 /nfs/dbraw/zinc/99/57/56/1429995756.db2.gz AHTRMMQTQYAXSA-UHFFFAOYSA-N 1 2 389.477 3.303 20 5 GGBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(OC)c1 ZINC000181570467 1430321546 /nfs/dbraw/zinc/32/15/46/1430321546.db2.gz FMBYNYIZQNODNN-OAHLLOKOSA-N 1 2 392.477 3.460 20 5 GGBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(OC)c1 ZINC000181570467 1430321549 /nfs/dbraw/zinc/32/15/49/1430321549.db2.gz FMBYNYIZQNODNN-OAHLLOKOSA-N 1 2 392.477 3.460 20 5 GGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182474773 1430473759 /nfs/dbraw/zinc/47/37/59/1430473759.db2.gz GNJHMTLMMCNKOF-GFCCVEGCSA-N 1 2 394.378 3.025 20 5 GGBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](c2ccccc2)C1 ZINC000182495595 1430477692 /nfs/dbraw/zinc/47/76/92/1430477692.db2.gz MONIZFKFFJCFHC-MRXNPFEDSA-N 1 2 391.374 3.325 20 5 GGBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](c2ccccc2)C1 ZINC000182495595 1430477693 /nfs/dbraw/zinc/47/76/93/1430477693.db2.gz MONIZFKFFJCFHC-MRXNPFEDSA-N 1 2 391.374 3.325 20 5 GGBDLO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000182826010 1430548174 /nfs/dbraw/zinc/54/81/74/1430548174.db2.gz XSRVSPYBYWJQPV-KSSFIOAISA-N 1 2 377.404 3.399 20 5 GGBDLO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000182825954 1430548226 /nfs/dbraw/zinc/54/82/26/1430548226.db2.gz XSRVSPYBYWJQPV-RDTXWAMCSA-N 1 2 377.404 3.399 20 5 GGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183120823 1430619936 /nfs/dbraw/zinc/61/99/36/1430619936.db2.gz DTOGNTQRZYIZME-UHFFFAOYSA-N 1 2 388.330 3.312 20 5 GGBDLO C[S@](=O)C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000183139862 1430626793 /nfs/dbraw/zinc/62/67/93/1430626793.db2.gz LWMQDZKUDWWXTG-MYUZEXMDSA-N 1 2 385.445 3.459 20 5 GGBDLO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000183557431 1430741713 /nfs/dbraw/zinc/74/17/13/1430741713.db2.gz XRGYITMMBQCHJH-SJLPKXTDSA-N 1 2 378.392 3.237 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183706202 1430777895 /nfs/dbraw/zinc/77/78/95/1430777895.db2.gz IVMQLFXNEHROOL-QGZVFWFLSA-N 1 2 396.378 3.213 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183706224 1430777948 /nfs/dbraw/zinc/77/79/48/1430777948.db2.gz IVMQLFXNEHROOL-KRWDZBQOSA-N 1 2 396.378 3.213 20 5 GGBDLO COc1ccc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c([N+](=O)[O-])c1 ZINC000184149624 1430847508 /nfs/dbraw/zinc/84/75/08/1430847508.db2.gz HLYZRWFEDRKNCM-MRXNPFEDSA-N 1 2 391.424 3.138 20 5 GGBDLO COc1ccccc1C[NH+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184198582 1430855083 /nfs/dbraw/zinc/85/50/83/1430855083.db2.gz LYJJOOZHQJILJS-UHFFFAOYSA-N 1 2 389.427 3.069 20 5 GGBDLO CC(C)COC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccco1 ZINC000184207939 1430856404 /nfs/dbraw/zinc/85/64/04/1430856404.db2.gz VJJXPAHIYGWLHA-ROUUACIJSA-N 1 2 387.436 3.297 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184378280 1430880805 /nfs/dbraw/zinc/88/08/05/1430880805.db2.gz BXNFXEBOQRPYJX-UHFFFAOYSA-N 1 2 389.843 3.243 20 5 GGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000184460856 1430890442 /nfs/dbraw/zinc/89/04/42/1430890442.db2.gz WIOISOUQYZYHTQ-UHFFFAOYSA-N 1 2 389.843 3.111 20 5 GGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000184479784 1430892428 /nfs/dbraw/zinc/89/24/28/1430892428.db2.gz SVVRVAIYISEFNE-AWEZNQCLSA-N 1 2 388.424 3.199 20 5 GGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000184479784 1430892429 /nfs/dbraw/zinc/89/24/29/1430892429.db2.gz SVVRVAIYISEFNE-AWEZNQCLSA-N 1 2 388.424 3.199 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184581543 1430909042 /nfs/dbraw/zinc/90/90/42/1430909042.db2.gz YGTXYOBKWFMJCM-HXUWFJFHSA-N 1 2 397.410 3.094 20 5 GGBDLO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000184717507 1430951777 /nfs/dbraw/zinc/95/17/77/1430951777.db2.gz XBSQIBUSANQKHK-UHFFFAOYSA-N 1 2 375.450 3.004 20 5 GGBDLO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000184718913 1430952558 /nfs/dbraw/zinc/95/25/58/1430952558.db2.gz VSWGXPNZOWGBNQ-CYBMUJFWSA-N 1 2 375.450 3.004 20 5 GGBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000184718913 1430952564 /nfs/dbraw/zinc/95/25/64/1430952564.db2.gz VSWGXPNZOWGBNQ-CYBMUJFWSA-N 1 2 375.450 3.004 20 5 GGBDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000184720478 1430953452 /nfs/dbraw/zinc/95/34/52/1430953452.db2.gz IYBDVVOAPMYPMV-QWRGUYRKSA-N 1 2 378.454 3.300 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000184733969 1430958242 /nfs/dbraw/zinc/95/82/42/1430958242.db2.gz DAPZQHWQRRTQAO-UHFFFAOYSA-N 1 2 383.448 3.081 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000184733969 1430958244 /nfs/dbraw/zinc/95/82/44/1430958244.db2.gz DAPZQHWQRRTQAO-UHFFFAOYSA-N 1 2 383.448 3.081 20 5 GGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000184792338 1430978696 /nfs/dbraw/zinc/97/86/96/1430978696.db2.gz CYJRTTFJMWXPII-MJGOQNOKSA-N 1 2 396.491 3.464 20 5 GGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000184792299 1430978715 /nfs/dbraw/zinc/97/87/15/1430978715.db2.gz CYJRTTFJMWXPII-HKUYNNGSSA-N 1 2 396.491 3.464 20 5 GGBDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000184832140 1430995792 /nfs/dbraw/zinc/99/57/92/1430995792.db2.gz QWSNFRWIUXTCAB-MLGOLLRUSA-N 1 2 391.424 3.063 20 5 GGBDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000184853267 1431004107 /nfs/dbraw/zinc/00/41/07/1431004107.db2.gz NRLAQHGUTMTKRM-AWEZNQCLSA-N 1 2 381.816 3.319 20 5 GGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184873685 1431008860 /nfs/dbraw/zinc/00/88/60/1431008860.db2.gz RHNUXDORYLHKHP-ROUUACIJSA-N 1 2 384.480 3.378 20 5 GGBDLO C[C@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000184921177 1431022108 /nfs/dbraw/zinc/02/21/08/1431022108.db2.gz RXAGFSNKIXTTFC-HNNXBMFYSA-N 1 2 396.422 3.441 20 5 GGBDLO COc1ccc(C[NH+]2CCN(c3cccc(OC)c3[N+](=O)[O-])CC2)cc1F ZINC000185115156 1431064192 /nfs/dbraw/zinc/06/41/92/1431064192.db2.gz SXFSVMYWYBGUKC-UHFFFAOYSA-N 1 2 375.400 3.073 20 5 GGBDLO Cc1c(NC(=O)CC[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cccc1[N+](=O)[O-] ZINC000185153090 1431073169 /nfs/dbraw/zinc/07/31/69/1431073169.db2.gz WVGGHIMWMYZPBH-GFCCVEGCSA-N 1 2 375.429 3.263 20 5 GGBDLO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000185276182 1431097969 /nfs/dbraw/zinc/09/79/69/1431097969.db2.gz DJQUHIWRVVDDPS-ZFWWWQNUSA-N 1 2 390.440 3.116 20 5 GGBDLO COc1ccc(OCC[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000185380631 1431130752 /nfs/dbraw/zinc/13/07/52/1431130752.db2.gz GPFSNIARQIQQBY-AWEZNQCLSA-N 1 2 398.419 3.307 20 5 GGBDLO CCOC(=O)c1ccnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000185487304 1431155591 /nfs/dbraw/zinc/15/55/91/1431155591.db2.gz SMFWTBIRTYTVTF-CYBMUJFWSA-N 1 2 390.465 3.111 20 5 GGBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000185681579 1431204525 /nfs/dbraw/zinc/20/45/25/1431204525.db2.gz HUAWFXDTRLWODQ-UHFFFAOYSA-N 1 2 389.355 3.364 20 5 GGBDLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186007887 1431310362 /nfs/dbraw/zinc/31/03/62/1431310362.db2.gz IJNGNGNGJGPZFY-UHFFFAOYSA-N 1 2 377.832 3.335 20 5 GGBDLO CSc1cccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000186261937 1431365262 /nfs/dbraw/zinc/36/52/62/1431365262.db2.gz IUSHFJHPFHBDEE-UHFFFAOYSA-N 1 2 387.461 3.401 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186600059 1431465205 /nfs/dbraw/zinc/46/52/05/1431465205.db2.gz GJGPSGYFGLSNKT-SPLOXXLWSA-N 1 2 397.431 3.062 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186600059 1431465211 /nfs/dbraw/zinc/46/52/11/1431465211.db2.gz GJGPSGYFGLSNKT-SPLOXXLWSA-N 1 2 397.431 3.062 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186716957 1431500158 /nfs/dbraw/zinc/50/01/58/1431500158.db2.gz SPQBPBCFMKCQHH-YCRPNKLZSA-N 1 2 381.432 3.362 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186716957 1431500163 /nfs/dbraw/zinc/50/01/63/1431500163.db2.gz SPQBPBCFMKCQHH-YCRPNKLZSA-N 1 2 381.432 3.362 20 5 GGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186815988 1431525980 /nfs/dbraw/zinc/52/59/80/1431525980.db2.gz CVQQFYGKKYCBGE-LBPRGKRZSA-N 1 2 399.900 3.173 20 5 GGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186815988 1431525989 /nfs/dbraw/zinc/52/59/89/1431525989.db2.gz CVQQFYGKKYCBGE-LBPRGKRZSA-N 1 2 399.900 3.173 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN(C2CC2)c2ccccc21 ZINC000186828318 1431530407 /nfs/dbraw/zinc/53/04/07/1431530407.db2.gz ZEKMSWIZXRVBHG-UHFFFAOYSA-N 1 2 389.415 3.410 20 5 GGBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000186939518 1431571913 /nfs/dbraw/zinc/57/19/13/1431571913.db2.gz AOXSMJWHHVZAAZ-UHFFFAOYSA-N 1 2 375.450 3.483 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000187009515 1431588486 /nfs/dbraw/zinc/58/84/86/1431588486.db2.gz BRHYPXXEPUMDHV-OAQYLSRUSA-N 1 2 390.399 3.052 20 5 GGBDLO Cc1ccc2cc(C[NH+]3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)ccc2n1 ZINC000187355071 1431707177 /nfs/dbraw/zinc/70/71/77/1431707177.db2.gz YTVRRSIJGMOHQQ-UHFFFAOYSA-N 1 2 390.443 3.409 20 5 GGBDLO CC(C)(C)OCc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000187659415 1431791550 /nfs/dbraw/zinc/79/15/50/1431791550.db2.gz QGLSTVGJGGTVST-UHFFFAOYSA-N 1 2 399.407 3.014 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189112815 1432047008 /nfs/dbraw/zinc/04/70/08/1432047008.db2.gz OXZKASJHOCAOSH-SJKOYZFVSA-N 1 2 381.860 3.466 20 5 GGBDLO CCOC(=O)c1c(C)oc2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)nc(N)c21 ZINC000189159334 1432054588 /nfs/dbraw/zinc/05/45/88/1432054588.db2.gz CUJDNRROQMQCCI-JTQLQIEISA-N 1 2 399.407 3.049 20 5 GGBDLO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccco1 ZINC000189750061 1432222916 /nfs/dbraw/zinc/22/29/16/1432222916.db2.gz CYNJUIBYZIDYEC-OAHLLOKOSA-N 1 2 381.454 3.086 20 5 GGBDLO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc([N+](=O)[O-])c1C ZINC000190098453 1432319153 /nfs/dbraw/zinc/31/91/53/1432319153.db2.gz RUZSIDGLXAYUOM-UHFFFAOYSA-N 1 2 384.367 3.167 20 5 GGBDLO O=C(N[C@@H]1CCCc2c(O)cccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000190281713 1432352848 /nfs/dbraw/zinc/35/28/48/1432352848.db2.gz GZFAGFWDISJQFB-MRXNPFEDSA-N 1 2 378.388 3.294 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)n2)c1 ZINC000190568139 1432409038 /nfs/dbraw/zinc/40/90/38/1432409038.db2.gz UDXVVWPUMFTRIB-UHFFFAOYSA-N 1 2 399.382 3.222 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190995484 1432545846 /nfs/dbraw/zinc/54/58/46/1432545846.db2.gz RNLXRMKPIXZLTC-IBGZPJMESA-N 1 2 387.480 3.235 20 5 GGBDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000191451266 1432664521 /nfs/dbraw/zinc/66/45/21/1432664521.db2.gz UZOJZVSPQWERPO-CVEARBPZSA-N 1 2 391.449 3.099 20 5 GGBDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000191451266 1432664524 /nfs/dbraw/zinc/66/45/24/1432664524.db2.gz UZOJZVSPQWERPO-CVEARBPZSA-N 1 2 391.449 3.099 20 5 GGBDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000191740882 1432716064 /nfs/dbraw/zinc/71/60/64/1432716064.db2.gz KYBJBBWKFWVHKT-SFHVURJKSA-N 1 2 398.492 3.019 20 5 GGBDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000191740882 1432716066 /nfs/dbraw/zinc/71/60/66/1432716066.db2.gz KYBJBBWKFWVHKT-SFHVURJKSA-N 1 2 398.492 3.019 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000191775041 1432722779 /nfs/dbraw/zinc/72/27/79/1432722779.db2.gz RMTYSJPQJMRAQU-UHFFFAOYSA-N 1 2 375.429 3.306 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192070330 1432792885 /nfs/dbraw/zinc/79/28/85/1432792885.db2.gz UBXVVDVYCGZIQC-QGZVFWFLSA-N 1 2 378.388 3.216 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000192251038 1432822788 /nfs/dbraw/zinc/82/27/88/1432822788.db2.gz PLMVVAKKFCAJSC-UHFFFAOYSA-N 1 2 396.451 3.092 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000192259563 1432823724 /nfs/dbraw/zinc/82/37/24/1432823724.db2.gz GBWAPRIEUXGRBW-UHFFFAOYSA-N 1 2 396.451 3.092 20 5 GGBDLO CCO[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000192766287 1432887293 /nfs/dbraw/zinc/88/72/93/1432887293.db2.gz BZRDSBLAWAVCSX-IBGZPJMESA-N 1 2 380.404 3.288 20 5 GGBDLO CCO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000192766306 1432887381 /nfs/dbraw/zinc/88/73/81/1432887381.db2.gz BZRDSBLAWAVCSX-LJQANCHMSA-N 1 2 380.404 3.288 20 5 GGBDLO COc1cc(C)c(C[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000192794072 1432892032 /nfs/dbraw/zinc/89/20/32/1432892032.db2.gz XEYMAZMPNYBKOF-UHFFFAOYSA-N 1 2 397.435 3.268 20 5 GGBDLO COc1cc(C)c(C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000192794072 1432892033 /nfs/dbraw/zinc/89/20/33/1432892033.db2.gz XEYMAZMPNYBKOF-UHFFFAOYSA-N 1 2 397.435 3.268 20 5 GGBDLO CCS(=O)(=O)C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000193251708 1432967841 /nfs/dbraw/zinc/96/78/41/1432967841.db2.gz LTAQYPVTLWLIOJ-UHFFFAOYSA-N 1 2 385.485 3.345 20 5 GGBDLO COc1cc(C)c(C[N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000193369257 1432986503 /nfs/dbraw/zinc/98/65/03/1432986503.db2.gz YAVOMIIVPRYTIV-UHFFFAOYSA-N 1 2 397.435 3.268 20 5 GGBDLO COc1cc(C)c(C[N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000193369257 1432986504 /nfs/dbraw/zinc/98/65/04/1432986504.db2.gz YAVOMIIVPRYTIV-UHFFFAOYSA-N 1 2 397.435 3.268 20 5 GGBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000193745315 1433051223 /nfs/dbraw/zinc/05/12/23/1433051223.db2.gz FVWMUDJWGZWHIS-UHFFFAOYSA-N 1 2 387.411 3.091 20 5 GGBDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000193745315 1433051225 /nfs/dbraw/zinc/05/12/25/1433051225.db2.gz FVWMUDJWGZWHIS-UHFFFAOYSA-N 1 2 387.411 3.091 20 5 GGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000194021459 1433102293 /nfs/dbraw/zinc/10/22/93/1433102293.db2.gz IAZAIAXXIUAPHR-UHFFFAOYSA-N 1 2 384.436 3.065 20 5 GGBDLO COc1cccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194056599 1433109228 /nfs/dbraw/zinc/10/92/28/1433109228.db2.gz CCPVJPIHIGJORV-GASCZTMLSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1cccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194056599 1433109231 /nfs/dbraw/zinc/10/92/31/1433109231.db2.gz CCPVJPIHIGJORV-GASCZTMLSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000194313266 1433159748 /nfs/dbraw/zinc/15/97/48/1433159748.db2.gz RARRJSWHXHIJRP-UHFFFAOYSA-N 1 2 384.436 3.309 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000194338033 1433163844 /nfs/dbraw/zinc/16/38/44/1433163844.db2.gz FURFUYKHXDFDHD-HNNXBMFYSA-N 1 2 393.484 3.458 20 5 GGBDLO COc1ccc(CCCN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000194583382 1433201415 /nfs/dbraw/zinc/20/14/15/1433201415.db2.gz DGCQFMACGOHQHP-UHFFFAOYSA-N 1 2 394.431 3.494 20 5 GGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194724785 1433220354 /nfs/dbraw/zinc/22/03/54/1433220354.db2.gz QZQHZVZDIMTZBQ-GASCZTMLSA-N 1 2 395.525 3.277 20 5 GGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194724785 1433220356 /nfs/dbraw/zinc/22/03/56/1433220356.db2.gz QZQHZVZDIMTZBQ-GASCZTMLSA-N 1 2 395.525 3.277 20 5 GGBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194745503 1433223464 /nfs/dbraw/zinc/22/34/64/1433223464.db2.gz RALFFGUVJBGESL-GASCZTMLSA-N 1 2 377.485 3.074 20 5 GGBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194745503 1433223467 /nfs/dbraw/zinc/22/34/67/1433223467.db2.gz RALFFGUVJBGESL-GASCZTMLSA-N 1 2 377.485 3.074 20 5 GGBDLO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000194860549 1433250661 /nfs/dbraw/zinc/25/06/61/1433250661.db2.gz MCMRPGIXIRUBNF-GOSISDBHSA-N 1 2 397.859 3.098 20 5 GGBDLO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000194860549 1433250664 /nfs/dbraw/zinc/25/06/64/1433250664.db2.gz MCMRPGIXIRUBNF-GOSISDBHSA-N 1 2 397.859 3.098 20 5 GGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000194939030 1433268844 /nfs/dbraw/zinc/26/88/44/1433268844.db2.gz REDYLZGGESGFQF-IBGZPJMESA-N 1 2 385.489 3.343 20 5 GGBDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000195160714 1433301130 /nfs/dbraw/zinc/30/11/30/1433301130.db2.gz UJRDITKEKWQYEF-UHFFFAOYSA-N 1 2 378.450 3.254 20 5 GGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000195186699 1433304514 /nfs/dbraw/zinc/30/45/14/1433304514.db2.gz LVGBMMZMMKMGME-UHFFFAOYSA-N 1 2 397.431 3.184 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000195321545 1433318983 /nfs/dbraw/zinc/31/89/83/1433318983.db2.gz GYCADEVOSDXSRP-AWEZNQCLSA-N 1 2 391.468 3.354 20 5 GGBDLO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3nnc4n3CCC4)o2)c([N+](=O)[O-])c1 ZINC000237424025 1433402526 /nfs/dbraw/zinc/40/25/26/1433402526.db2.gz TYQMGDQHSUMXBC-LBPRGKRZSA-N 1 2 383.408 3.252 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245473387 1433474583 /nfs/dbraw/zinc/47/45/83/1433474583.db2.gz PYBDIYJDVUWWPS-PGGUUEOZSA-N 1 2 389.477 3.272 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245473387 1433474588 /nfs/dbraw/zinc/47/45/88/1433474588.db2.gz PYBDIYJDVUWWPS-PGGUUEOZSA-N 1 2 389.477 3.272 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000245691449 1433500561 /nfs/dbraw/zinc/50/05/61/1433500561.db2.gz AISIYPLYKHZAFH-ROUUACIJSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000245691449 1433500566 /nfs/dbraw/zinc/50/05/66/1433500566.db2.gz AISIYPLYKHZAFH-ROUUACIJSA-N 1 2 389.839 3.050 20 5 GGBDLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246203251 1433581566 /nfs/dbraw/zinc/58/15/66/1433581566.db2.gz WGQSAAFUTKQZFW-VXGBXAGGSA-N 1 2 386.437 3.349 20 5 GGBDLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246203251 1433581568 /nfs/dbraw/zinc/58/15/68/1433581568.db2.gz WGQSAAFUTKQZFW-VXGBXAGGSA-N 1 2 386.437 3.349 20 5 GGBDLO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246233958 1433584872 /nfs/dbraw/zinc/58/48/72/1433584872.db2.gz GPDVMTYSOIDKTL-ZWKOTPCHSA-N 1 2 389.839 3.019 20 5 GGBDLO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246233958 1433584874 /nfs/dbraw/zinc/58/48/74/1433584874.db2.gz GPDVMTYSOIDKTL-ZWKOTPCHSA-N 1 2 389.839 3.019 20 5 GGBDLO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246233944 1433584898 /nfs/dbraw/zinc/58/48/98/1433584898.db2.gz GPDVMTYSOIDKTL-ROUUACIJSA-N 1 2 389.839 3.019 20 5 GGBDLO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246233944 1433584899 /nfs/dbraw/zinc/58/48/99/1433584899.db2.gz GPDVMTYSOIDKTL-ROUUACIJSA-N 1 2 389.839 3.019 20 5 GGBDLO C[C@@]1(O)CC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000248343384 1433787397 /nfs/dbraw/zinc/78/73/97/1433787397.db2.gz KFXXQZUTEVMYJV-IEBWSBKVSA-N 1 2 389.839 3.385 20 5 GGBDLO C[C@@]1(O)CC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000248343384 1433787402 /nfs/dbraw/zinc/78/74/02/1433787402.db2.gz KFXXQZUTEVMYJV-IEBWSBKVSA-N 1 2 389.839 3.385 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000248447697 1433803466 /nfs/dbraw/zinc/80/34/66/1433803466.db2.gz HJWKYHROQWZSLF-GCJKJVERSA-N 1 2 393.443 3.241 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000248447697 1433803468 /nfs/dbraw/zinc/80/34/68/1433803468.db2.gz HJWKYHROQWZSLF-GCJKJVERSA-N 1 2 393.443 3.241 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000248465370 1433805071 /nfs/dbraw/zinc/80/50/71/1433805071.db2.gz RPVAPFSDPANMAK-LZJOCLMNSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000248465370 1433805072 /nfs/dbraw/zinc/80/50/72/1433805072.db2.gz RPVAPFSDPANMAK-LZJOCLMNSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000249601261 1433847804 /nfs/dbraw/zinc/84/78/04/1433847804.db2.gz YHTQRDIDXJHKEF-YSGRDPCXSA-N 1 2 383.448 3.286 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000249601261 1433847805 /nfs/dbraw/zinc/84/78/05/1433847805.db2.gz YHTQRDIDXJHKEF-YSGRDPCXSA-N 1 2 383.448 3.286 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000249889022 1433853522 /nfs/dbraw/zinc/85/35/22/1433853522.db2.gz PYQXOVHTZFUFLD-QWHCGFSZSA-N 1 2 390.465 3.267 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000249889022 1433853523 /nfs/dbraw/zinc/85/35/23/1433853523.db2.gz PYQXOVHTZFUFLD-QWHCGFSZSA-N 1 2 390.465 3.267 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000252736376 1433864817 /nfs/dbraw/zinc/86/48/17/1433864817.db2.gz UPQXSZSXKCOZSH-OALUTQOASA-N 1 2 375.856 3.410 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000252736376 1433864818 /nfs/dbraw/zinc/86/48/18/1433864818.db2.gz UPQXSZSXKCOZSH-OALUTQOASA-N 1 2 375.856 3.410 20 5 GGBDLO COc1cc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000255627624 1433886827 /nfs/dbraw/zinc/88/68/27/1433886827.db2.gz BTLMOUSAOVHYLS-YVMONPNESA-N 1 2 381.432 3.075 20 5 GGBDLO CC(C)c1ccc(C[NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)cc1[N+](=O)[O-] ZINC000263491371 1434008854 /nfs/dbraw/zinc/00/88/54/1434008854.db2.gz IQIJESNOXUOJBU-UHFFFAOYSA-N 1 2 375.469 3.135 20 5 GGBDLO CC(C)c1ccc(C[NH2+]C2CC([N@H+](CC(=O)[O-])CC3CC3)C2)cc1[N+](=O)[O-] ZINC000263491371 1434008856 /nfs/dbraw/zinc/00/88/56/1434008856.db2.gz IQIJESNOXUOJBU-UHFFFAOYSA-N 1 2 375.469 3.135 20 5 GGBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1OCCc2ccccc21 ZINC000263702062 1434022977 /nfs/dbraw/zinc/02/29/77/1434022977.db2.gz LSBQTFZVMSQEGP-SFHVURJKSA-N 1 2 380.404 3.391 20 5 GGBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1OCCc2ccccc21 ZINC000263702062 1434022978 /nfs/dbraw/zinc/02/29/78/1434022978.db2.gz LSBQTFZVMSQEGP-SFHVURJKSA-N 1 2 380.404 3.391 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000263882575 1434045093 /nfs/dbraw/zinc/04/50/93/1434045093.db2.gz NBLKNVVPOJBLOL-AWEZNQCLSA-N 1 2 391.468 3.284 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000263882576 1434045137 /nfs/dbraw/zinc/04/51/37/1434045137.db2.gz NBLKNVVPOJBLOL-CQSZACIVSA-N 1 2 391.468 3.284 20 5 GGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263963762 1434054565 /nfs/dbraw/zinc/05/45/65/1434054565.db2.gz ZTAVDQKBQFLXQO-MRXNPFEDSA-N 1 2 386.455 3.284 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000264184033 1434079283 /nfs/dbraw/zinc/07/92/83/1434079283.db2.gz FGUJRZKZBHYRRN-CQSZACIVSA-N 1 2 385.420 3.249 20 5 GGBDLO C[C@H](c1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264216477 1434083371 /nfs/dbraw/zinc/08/33/71/1434083371.db2.gz JZFVUIOLMVGEBG-OAHLLOKOSA-N 1 2 384.436 3.039 20 5 GGBDLO C[C@@H](c1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000264264885 1434089605 /nfs/dbraw/zinc/08/96/05/1434089605.db2.gz SMESREYCBCXITK-INIZCTEOSA-N 1 2 398.463 3.352 20 5 GGBDLO C[C@@H](c1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264274345 1434091140 /nfs/dbraw/zinc/09/11/40/1434091140.db2.gz VHTTWYCKYIECPS-HNNXBMFYSA-N 1 2 384.436 3.310 20 5 GGBDLO C[C@H](c1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264274346 1434091198 /nfs/dbraw/zinc/09/11/98/1434091198.db2.gz VHTTWYCKYIECPS-OAHLLOKOSA-N 1 2 384.436 3.310 20 5 GGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264758954 1434152471 /nfs/dbraw/zinc/15/24/71/1434152471.db2.gz TZBNSBOXIUIXDY-SNVBAGLBSA-N 1 2 381.339 3.331 20 5 GGBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000265496064 1434239597 /nfs/dbraw/zinc/23/95/97/1434239597.db2.gz HBVRINGSMBWPOP-UHFFFAOYSA-N 1 2 375.816 3.089 20 5 GGBDLO CC(C)(C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000265855083 1434273189 /nfs/dbraw/zinc/27/31/89/1434273189.db2.gz XZBBHWRKLNJHGN-UHFFFAOYSA-N 1 2 397.475 3.021 20 5 GGBDLO C[C@H](c1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000266494698 1434343502 /nfs/dbraw/zinc/34/35/02/1434343502.db2.gz YPJLPCOXILHZAU-MRXNPFEDSA-N 1 2 398.463 3.352 20 5 GGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000266502513 1434344266 /nfs/dbraw/zinc/34/42/66/1434344266.db2.gz AUZIIARFKSNVAX-ZDUSSCGKSA-N 1 2 375.450 3.086 20 5 GGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000266502513 1434344268 /nfs/dbraw/zinc/34/42/68/1434344268.db2.gz AUZIIARFKSNVAX-ZDUSSCGKSA-N 1 2 375.450 3.086 20 5 GGBDLO Cc1ccc([C@H](C)NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000267914359 1434476565 /nfs/dbraw/zinc/47/65/65/1434476565.db2.gz WBMKGKUWJRFDOW-INIZCTEOSA-N 1 2 383.448 3.226 20 5 GGBDLO C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000268389654 1434518066 /nfs/dbraw/zinc/51/80/66/1434518066.db2.gz YULAEEXWXDGORL-BLLLJJGKSA-N 1 2 377.832 3.237 20 5 GGBDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423901 1434521547 /nfs/dbraw/zinc/52/15/47/1434521547.db2.gz DISAKOLABMXONB-RISCZKNCSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423901 1434521549 /nfs/dbraw/zinc/52/15/49/1434521549.db2.gz DISAKOLABMXONB-RISCZKNCSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423901 1434521551 /nfs/dbraw/zinc/52/15/51/1434521551.db2.gz DISAKOLABMXONB-RISCZKNCSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423901 1434521553 /nfs/dbraw/zinc/52/15/53/1434521553.db2.gz DISAKOLABMXONB-RISCZKNCSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423901 1434521554 /nfs/dbraw/zinc/52/15/54/1434521554.db2.gz DISAKOLABMXONB-RISCZKNCSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423901 1434521556 /nfs/dbraw/zinc/52/15/56/1434521556.db2.gz DISAKOLABMXONB-RISCZKNCSA-N 1 2 383.412 3.012 20 5 GGBDLO CC(C)c1[nH]nc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1[N+](=O)[O-] ZINC000269319829 1434623211 /nfs/dbraw/zinc/62/32/11/1434623211.db2.gz AXBUXDDMKHZCHK-UHFFFAOYSA-N 1 2 392.485 3.382 20 5 GGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000269443911 1434646486 /nfs/dbraw/zinc/64/64/86/1434646486.db2.gz JWKPXHJLVBXZOA-UHFFFAOYSA-N 1 2 388.449 3.109 20 5 GGBDLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000273872010 1435023957 /nfs/dbraw/zinc/02/39/57/1435023957.db2.gz OTDVHJVFUGKWFE-UHFFFAOYSA-N 1 2 378.429 3.095 20 5 GGBDLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000273872010 1435023959 /nfs/dbraw/zinc/02/39/59/1435023959.db2.gz OTDVHJVFUGKWFE-UHFFFAOYSA-N 1 2 378.429 3.095 20 5 GGBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cn1 ZINC000274032281 1435038478 /nfs/dbraw/zinc/03/84/78/1435038478.db2.gz XCODLFXYTGSKRP-UHFFFAOYSA-N 1 2 382.424 3.077 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276465856 1435212831 /nfs/dbraw/zinc/21/28/31/1435212831.db2.gz PLJZWNUVOOLSLN-LJQANCHMSA-N 1 2 393.447 3.374 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276465856 1435212833 /nfs/dbraw/zinc/21/28/33/1435212833.db2.gz PLJZWNUVOOLSLN-LJQANCHMSA-N 1 2 393.447 3.374 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000277182920 1435274967 /nfs/dbraw/zinc/27/49/67/1435274967.db2.gz BCKRLRZVHORRGQ-UHFFFAOYSA-N 1 2 383.452 3.247 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000277405990 1435302423 /nfs/dbraw/zinc/30/24/23/1435302423.db2.gz HMCYZDWGZPJGPT-GJZGRUSLSA-N 1 2 399.447 3.465 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277410869 1435302825 /nfs/dbraw/zinc/30/28/25/1435302825.db2.gz HRRKULMIMNZQPH-UHFFFAOYSA-N 1 2 398.463 3.377 20 5 GGBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])c1 ZINC000277426551 1435303950 /nfs/dbraw/zinc/30/39/50/1435303950.db2.gz MSGARARNYFDPRO-UHFFFAOYSA-N 1 2 390.465 3.186 20 5 GGBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277464970 1435306318 /nfs/dbraw/zinc/30/63/18/1435306318.db2.gz ACKAANJIRHMHAX-UHFFFAOYSA-N 1 2 394.435 3.328 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)co2)cc1 ZINC000277770380 1435328622 /nfs/dbraw/zinc/32/86/22/1435328622.db2.gz MXQNFFSLRWJBRX-DOMZBBRYSA-N 1 2 385.342 3.385 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)co2)cc1 ZINC000277770380 1435328624 /nfs/dbraw/zinc/32/86/24/1435328624.db2.gz MXQNFFSLRWJBRX-DOMZBBRYSA-N 1 2 385.342 3.385 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)co2)cc1 ZINC000277770386 1435328715 /nfs/dbraw/zinc/32/87/15/1435328715.db2.gz MXQNFFSLRWJBRX-SWLSCSKDSA-N 1 2 385.342 3.385 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)co2)cc1 ZINC000277770386 1435328717 /nfs/dbraw/zinc/32/87/17/1435328717.db2.gz MXQNFFSLRWJBRX-SWLSCSKDSA-N 1 2 385.342 3.385 20 5 GGBDLO CCCCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278304844 1435377991 /nfs/dbraw/zinc/37/79/91/1435377991.db2.gz WDYHGOCBOXZPLM-UHFFFAOYSA-N 1 2 378.429 3.164 20 5 GGBDLO CC(C)c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)no1 ZINC000278310074 1435378544 /nfs/dbraw/zinc/37/85/44/1435378544.db2.gz WUDHIKCRJHMGDC-UHFFFAOYSA-N 1 2 375.385 3.389 20 5 GGBDLO CN(CCCn1cc[nH+]c1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278411290 1435388705 /nfs/dbraw/zinc/38/87/05/1435388705.db2.gz HPGSSKSUAONMKB-UHFFFAOYSA-N 1 2 379.289 3.367 20 5 GGBDLO Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(N)c([N+](=O)[O-])c1 ZINC000279451863 1435500870 /nfs/dbraw/zinc/50/08/70/1435500870.db2.gz DLCQHNPFSLBJFF-UHFFFAOYSA-N 1 2 383.452 3.038 20 5 GGBDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000280430742 1435659803 /nfs/dbraw/zinc/65/98/03/1435659803.db2.gz MLYHYAKIVRKBQN-HUUCEWRRSA-N 1 2 391.449 3.017 20 5 GGBDLO COC(=O)c1nc([C@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000280430742 1435659808 /nfs/dbraw/zinc/65/98/08/1435659808.db2.gz MLYHYAKIVRKBQN-HUUCEWRRSA-N 1 2 391.449 3.017 20 5 GGBDLO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280729818 1435710581 /nfs/dbraw/zinc/71/05/81/1435710581.db2.gz GQPKAWQZKDXKTP-FZKQIMNGSA-N 1 2 380.441 3.306 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280820709 1435726077 /nfs/dbraw/zinc/72/60/77/1435726077.db2.gz NGPYSRIVXBRJLS-LIRRHRJNSA-N 1 2 392.477 3.176 20 5 GGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](Cc2ccco2)CC1 ZINC000281057845 1435765774 /nfs/dbraw/zinc/76/57/74/1435765774.db2.gz SOQZSNDOCIWKKK-AWEZNQCLSA-N 1 2 383.408 3.117 20 5 GGBDLO CCOc1cc(C[N@H+](CCNC(C)=O)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000282468186 1435848311 /nfs/dbraw/zinc/84/83/11/1435848311.db2.gz KMGMUYYZBGSPRS-UHFFFAOYSA-N 1 2 377.466 3.193 20 5 GGBDLO CCOc1cc(C[N@@H+](CCNC(C)=O)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000282468186 1435848312 /nfs/dbraw/zinc/84/83/12/1435848312.db2.gz KMGMUYYZBGSPRS-UHFFFAOYSA-N 1 2 377.466 3.193 20 5 GGBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000282536592 1435850692 /nfs/dbraw/zinc/85/06/92/1435850692.db2.gz VXWMKZFGKJXDHV-UHFFFAOYSA-N 1 2 397.479 3.364 20 5 GGBDLO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000282578466 1435852253 /nfs/dbraw/zinc/85/22/53/1435852253.db2.gz VVCWYPBVWNFRNE-SCLBCKFNSA-N 1 2 380.441 3.306 20 5 GGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000283803651 1435926576 /nfs/dbraw/zinc/92/65/76/1435926576.db2.gz WCDPTAGBHQJTDF-CVEARBPZSA-N 1 2 392.419 3.199 20 5 GGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000283803651 1435926593 /nfs/dbraw/zinc/92/65/93/1435926593.db2.gz WCDPTAGBHQJTDF-CVEARBPZSA-N 1 2 392.419 3.199 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(CCOCC2)CC1 ZINC000283983241 1435967002 /nfs/dbraw/zinc/96/70/02/1435967002.db2.gz CWDHRVNXEQCUSG-ZDUSSCGKSA-N 1 2 381.860 3.468 20 5 GGBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000284308302 1436011856 /nfs/dbraw/zinc/01/18/56/1436011856.db2.gz OXJWKJABVDSCSK-UHFFFAOYSA-N 1 2 395.419 3.295 20 5 GGBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001164917412 721815203 /nfs/dbraw/zinc/81/52/03/721815203.db2.gz MABHDCMWJPZYGX-UHFFFAOYSA-N 1 2 392.463 3.089 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)nc1 ZINC000014305458 209171927 /nfs/dbraw/zinc/17/19/27/209171927.db2.gz CDTJDWANBHSUBN-UHFFFAOYSA-N 1 2 381.461 3.436 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000053492075 210872854 /nfs/dbraw/zinc/87/28/54/210872854.db2.gz KAYTWXCTYXFGLS-UHFFFAOYSA-N 1 2 384.436 3.343 20 5 GGBDLO CCNc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032830641 210592137 /nfs/dbraw/zinc/59/21/37/210592137.db2.gz SKLGJCZVDZHHDV-SFHVURJKSA-N 1 2 379.420 3.280 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)nc1-c1ccccc1 ZINC000170088704 136198735 /nfs/dbraw/zinc/19/87/35/136198735.db2.gz SHCZPZBIBUUHIL-IBGZPJMESA-N 1 2 379.420 3.330 20 5 GGBDLO COc1ccc(C[NH+]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)cc1F ZINC000170601972 136198846 /nfs/dbraw/zinc/19/88/46/136198846.db2.gz DKETYUMDTPAWHD-UHFFFAOYSA-N 1 2 386.427 3.033 20 5 GGBDLO CC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000119726354 564284705 /nfs/dbraw/zinc/28/47/05/564284705.db2.gz AIJQCSRKDCETFM-OAHLLOKOSA-N 1 2 383.857 3.137 20 5 GGBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccn1 ZINC000119823568 564290083 /nfs/dbraw/zinc/29/00/83/564290083.db2.gz OWRAACIOMZDUIY-UHFFFAOYSA-N 1 2 393.241 3.213 20 5 GGBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccn1 ZINC000119823568 564290091 /nfs/dbraw/zinc/29/00/91/564290091.db2.gz OWRAACIOMZDUIY-UHFFFAOYSA-N 1 2 393.241 3.213 20 5 GGBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120745612 564334903 /nfs/dbraw/zinc/33/49/03/564334903.db2.gz AZMNVUSETOLQOI-ZDUSSCGKSA-N 1 2 392.209 3.046 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)cn1 ZINC000026481241 564346681 /nfs/dbraw/zinc/34/66/81/564346681.db2.gz BQVSMWFKOUTCPK-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000030213664 564377137 /nfs/dbraw/zinc/37/71/37/564377137.db2.gz GAHUFIXCTFBQBH-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000030213664 564377139 /nfs/dbraw/zinc/37/71/39/564377139.db2.gz GAHUFIXCTFBQBH-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO CSc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000030541390 564382720 /nfs/dbraw/zinc/38/27/20/564382720.db2.gz SIRWNJCYKKPYHY-UHFFFAOYSA-N 1 2 377.491 3.336 20 5 GGBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)sc2C1 ZINC000122458363 564414752 /nfs/dbraw/zinc/41/47/52/564414752.db2.gz OZYDAXGJPKTLAV-UHFFFAOYSA-N 1 2 397.254 3.054 20 5 GGBDLO C[N@H+]1CCc2nc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)sc2C1 ZINC000122458363 564414755 /nfs/dbraw/zinc/41/47/55/564414755.db2.gz OZYDAXGJPKTLAV-UHFFFAOYSA-N 1 2 397.254 3.054 20 5 GGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1c(Br)cncc1[N+](=O)[O-])C2 ZINC000123719121 564459173 /nfs/dbraw/zinc/45/91/73/564459173.db2.gz YATMYEIMDJHLTB-UHFFFAOYSA-N 1 2 380.246 3.172 20 5 GGBDLO O=C(NCCc1ccc(Cl)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000044810291 564473234 /nfs/dbraw/zinc/47/32/34/564473234.db2.gz RLPPRNOSXUEYRX-UHFFFAOYSA-N 1 2 376.825 3.468 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)cn1 ZINC000045910051 564491186 /nfs/dbraw/zinc/49/11/86/564491186.db2.gz XAWISYJTBGKONV-UHFFFAOYSA-N 1 2 383.271 3.136 20 5 GGBDLO O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000126828290 564563860 /nfs/dbraw/zinc/56/38/60/564563860.db2.gz QTJCASSVRNCSGX-CYBMUJFWSA-N 1 2 392.209 3.046 20 5 GGBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc2sccn21 ZINC000052713081 564576137 /nfs/dbraw/zinc/57/61/37/564576137.db2.gz DLYUTRXTSXBIMH-UHFFFAOYSA-N 1 2 377.857 3.280 20 5 GGBDLO Cc1c(Br)cc(C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000127850377 564599256 /nfs/dbraw/zinc/59/92/56/564599256.db2.gz WEKMUZLDPHCAMM-UHFFFAOYSA-N 1 2 381.230 3.025 20 5 GGBDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc([N+](=O)[O-])cc1 ZINC000057455960 564667950 /nfs/dbraw/zinc/66/79/50/564667950.db2.gz JQSKPYQAWJJUOW-UHFFFAOYSA-N 1 2 378.226 3.428 20 5 GGBDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc([N+](=O)[O-])cc1 ZINC000057455960 564667952 /nfs/dbraw/zinc/66/79/52/564667952.db2.gz JQSKPYQAWJJUOW-UHFFFAOYSA-N 1 2 378.226 3.428 20 5 GGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000057792620 564674481 /nfs/dbraw/zinc/67/44/81/564674481.db2.gz YRCGCOZWVYTRRL-UHFFFAOYSA-N 1 2 376.722 3.279 20 5 GGBDLO O=[N+]([O-])c1cccc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)c1 ZINC000060381446 564697634 /nfs/dbraw/zinc/69/76/34/564697634.db2.gz NDPGTQCXEVMXLA-UHFFFAOYSA-N 1 2 383.217 3.491 20 5 GGBDLO O=[N+]([O-])c1cccc(C[N@H+](CCO)Cc2cc(Br)ccc2F)c1 ZINC000060381446 564697637 /nfs/dbraw/zinc/69/76/37/564697637.db2.gz NDPGTQCXEVMXLA-UHFFFAOYSA-N 1 2 383.217 3.491 20 5 GGBDLO C[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000064635461 564733344 /nfs/dbraw/zinc/73/33/44/564733344.db2.gz HRCVGTASDAWCDZ-UHFFFAOYSA-N 1 2 384.152 3.180 20 5 GGBDLO C[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000064635461 564733350 /nfs/dbraw/zinc/73/33/50/564733350.db2.gz HRCVGTASDAWCDZ-UHFFFAOYSA-N 1 2 384.152 3.180 20 5 GGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccc1Br ZINC000136856784 564855690 /nfs/dbraw/zinc/85/56/90/564855690.db2.gz FNWQRBCVUUXMNM-UHFFFAOYSA-N 1 2 383.164 3.247 20 5 GGBDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000091704206 564871190 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397.191 3.350 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1Br ZINC000286564829 565968108 /nfs/dbraw/zinc/96/81/08/565968108.db2.gz PGDFZAXPESUERJ-MNOVXSKESA-N 1 2 397.191 3.350 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1Br ZINC000286564831 565968482 /nfs/dbraw/zinc/96/84/82/565968482.db2.gz PGDFZAXPESUERJ-QWRGUYRKSA-N 1 2 397.191 3.350 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1Br ZINC000286564831 565968484 /nfs/dbraw/zinc/96/84/84/565968484.db2.gz PGDFZAXPESUERJ-QWRGUYRKSA-N 1 2 397.191 3.350 20 5 GGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000179382376 565977616 /nfs/dbraw/zinc/97/76/16/565977616.db2.gz IHPUMIIXQDTZFG-OAHLLOKOSA-N 1 2 378.226 3.016 20 5 GGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000179382376 565977620 /nfs/dbraw/zinc/97/76/20/565977620.db2.gz IHPUMIIXQDTZFG-OAHLLOKOSA-N 1 2 378.226 3.016 20 5 GGBDLO 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CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)cc1 ZINC000602435657 566470462 /nfs/dbraw/zinc/47/04/62/566470462.db2.gz KAJZLKWSKHDFIK-UHFFFAOYSA-N 1 2 398.282 3.410 20 5 GGBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)cc1 ZINC000602435657 566470469 /nfs/dbraw/zinc/47/04/69/566470469.db2.gz KAJZLKWSKHDFIK-UHFFFAOYSA-N 1 2 398.282 3.410 20 5 GGBDLO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000602473613 566471502 /nfs/dbraw/zinc/47/15/02/566471502.db2.gz VKCBUPRDZKSYQZ-JTQLQIEISA-N 1 2 389.271 3.194 20 5 GGBDLO O=C1CCCN1C1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602460736 566472045 /nfs/dbraw/zinc/47/20/45/566472045.db2.gz BSEOWYCZCNGTEC-UHFFFAOYSA-N 1 2 388.287 3.006 20 5 GGBDLO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000602473615 566474420 /nfs/dbraw/zinc/47/44/20/566474420.db2.gz VKCBUPRDZKSYQZ-SNVBAGLBSA-N 1 2 389.271 3.194 20 5 GGBDLO CN(C)C(=O)CC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602598881 566479460 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O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000561033240 566670652 /nfs/dbraw/zinc/67/06/52/566670652.db2.gz KGYQTJUBFMBCAX-HNNXBMFYSA-N 1 2 381.226 3.276 20 5 GGBDLO Cc1c(Br)cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000561114212 566678307 /nfs/dbraw/zinc/67/83/07/566678307.db2.gz PFPIKEJIPVDOBF-AWEZNQCLSA-N 1 2 393.241 3.280 20 5 GGBDLO Cc1c(Br)c(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000450649025 566694604 /nfs/dbraw/zinc/69/46/04/566694604.db2.gz PNQFPEPHBFFZHQ-GFCCVEGCSA-N 1 2 380.246 3.382 20 5 GGBDLO CC(C)(COc1ncccc1Br)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000561541993 566718492 /nfs/dbraw/zinc/71/84/92/566718492.db2.gz BIVDVSRTYJYLTI-UHFFFAOYSA-N 1 2 396.241 3.405 20 5 GGBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000581637527 566795157 /nfs/dbraw/zinc/79/51/57/566795157.db2.gz APQVNXKAFXSWOY-JTQLQIEISA-N 1 2 376.240 3.199 20 5 GGBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000581637527 566795161 /nfs/dbraw/zinc/79/51/61/566795161.db2.gz APQVNXKAFXSWOY-JTQLQIEISA-N 1 2 376.240 3.199 20 5 GGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1cn2ccccc2[nH+]1 ZINC000542336711 566795211 /nfs/dbraw/zinc/79/52/11/566795211.db2.gz KSLOVFGKRXBDOW-UHFFFAOYSA-N 1 2 376.825 3.304 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000542690323 566816945 /nfs/dbraw/zinc/81/69/45/566816945.db2.gz DHPHKDIEBODWHZ-UHFFFAOYSA-N 1 2 389.260 3.465 20 5 GGBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610900058 566872867 /nfs/dbraw/zinc/87/28/67/566872867.db2.gz OOAIZOVPKZPCFO-UHFFFAOYSA-N 1 2 390.237 3.103 20 5 GGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610913015 566874060 /nfs/dbraw/zinc/87/40/60/566874060.db2.gz QJQDQUXRRPBNQJ-CYBMUJFWSA-N 1 2 379.214 3.031 20 5 GGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610913016 566874700 /nfs/dbraw/zinc/87/47/00/566874700.db2.gz QJQDQUXRRPBNQJ-ZDUSSCGKSA-N 1 2 379.214 3.031 20 5 GGBDLO Cc1c(Br)cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000611076071 566888279 /nfs/dbraw/zinc/88/82/79/566888279.db2.gz JAYHYLYZJQKRNF-CYBMUJFWSA-N 1 2 393.241 3.340 20 5 GGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429022444 566901292 /nfs/dbraw/zinc/90/12/92/566901292.db2.gz SEOXFSBPEKIFFF-CQSZACIVSA-N 1 2 387.180 3.459 20 5 GGBDLO CCNC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000611262349 566905433 /nfs/dbraw/zinc/90/54/33/566905433.db2.gz IPHWUXJXKLLERX-UHFFFAOYSA-N 1 2 396.241 3.185 20 5 GGBDLO CCNC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000611262349 566905440 /nfs/dbraw/zinc/90/54/40/566905440.db2.gz IPHWUXJXKLLERX-UHFFFAOYSA-N 1 2 396.241 3.185 20 5 GGBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451927963 566910044 /nfs/dbraw/zinc/91/00/44/566910044.db2.gz CRGAAEKAXZVVQS-LLVKDONJSA-N 1 2 396.296 3.006 20 5 GGBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451927963 566910048 /nfs/dbraw/zinc/91/00/48/566910048.db2.gz CRGAAEKAXZVVQS-LLVKDONJSA-N 1 2 396.296 3.006 20 5 GGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)c3ccc(Br)cc3)nc2c1 ZINC000611682539 566933945 /nfs/dbraw/zinc/93/39/45/566933945.db2.gz WXGZKBQZPJXBGV-CQSZACIVSA-N 1 2 392.209 3.322 20 5 GGBDLO Cc1cccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000471200284 566936596 /nfs/dbraw/zinc/93/65/96/566936596.db2.gz TUETXVYTRZHUHQ-UHFFFAOYSA-N 1 2 393.241 3.131 20 5 GGBDLO Cc1cccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000471200284 566936599 /nfs/dbraw/zinc/93/65/99/566936599.db2.gz TUETXVYTRZHUHQ-UHFFFAOYSA-N 1 2 393.241 3.131 20 5 GGBDLO Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])c(C)c3Br)[nH+]c12 ZINC000612446556 566974671 /nfs/dbraw/zinc/97/46/71/566974671.db2.gz YJXRYXLPRBVQKI-UHFFFAOYSA-N 1 2 390.241 3.093 20 5 GGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000430034056 566978250 /nfs/dbraw/zinc/97/82/50/566978250.db2.gz SSDRLKRUOLJNRE-GFCCVEGCSA-N 1 2 384.483 3.097 20 5 GGBDLO Cc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)sc1Br ZINC000453571234 567092449 /nfs/dbraw/zinc/09/24/49/567092449.db2.gz BPBLPHPGKROOTB-UHFFFAOYSA-N 1 2 397.298 3.444 20 5 GGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000453577342 567092926 /nfs/dbraw/zinc/09/29/26/567092926.db2.gz NTQZXGAXPXRRLY-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO CCO[C@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589254194 567169513 /nfs/dbraw/zinc/16/95/13/567169513.db2.gz PPUSJOVXKCQAME-AWEZNQCLSA-N 1 2 390.221 3.200 20 5 GGBDLO CCO[C@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589254194 567169520 /nfs/dbraw/zinc/16/95/20/567169520.db2.gz PPUSJOVXKCQAME-AWEZNQCLSA-N 1 2 390.221 3.200 20 5 GGBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(Cl)c1 ZINC000433258804 567237187 /nfs/dbraw/zinc/23/71/87/567237187.db2.gz HSMWIKSACUOAFU-UHFFFAOYSA-N 1 2 386.832 3.293 20 5 GGBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(Cl)c1 ZINC000433258804 567237195 /nfs/dbraw/zinc/23/71/95/567237195.db2.gz HSMWIKSACUOAFU-UHFFFAOYSA-N 1 2 386.832 3.293 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)c(Nc2cnn(CC[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000547788611 567246671 /nfs/dbraw/zinc/24/66/71/567246671.db2.gz WDBDEOCGHDFHOY-UHFFFAOYSA-N 1 2 386.239 3.174 20 5 GGBDLO CSc1cccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000548587303 567333029 /nfs/dbraw/zinc/33/30/29/567333029.db2.gz FUQOQUVGAOSBGZ-UHFFFAOYSA-N 1 2 377.491 3.336 20 5 GGBDLO Cc1csc(Sc2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2[N+](=O)[O-])n1 ZINC000478839481 567486275 /nfs/dbraw/zinc/48/62/75/567486275.db2.gz VCDLXZHYJPNYPI-UHFFFAOYSA-N 1 2 375.435 3.164 20 5 GGBDLO Cc1csc(Sc2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2[N+](=O)[O-])n1 ZINC000478839481 567486282 /nfs/dbraw/zinc/48/62/82/567486282.db2.gz VCDLXZHYJPNYPI-UHFFFAOYSA-N 1 2 375.435 3.164 20 5 GGBDLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000595055103 567539392 /nfs/dbraw/zinc/53/93/92/567539392.db2.gz SEUTXBBJNPISGS-LLVKDONJSA-N 1 2 384.479 3.309 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000552942178 567617990 /nfs/dbraw/zinc/61/79/90/567617990.db2.gz GAUQHKYGHKJSHB-CQSZACIVSA-N 1 2 393.241 3.280 20 5 GGBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596440470 567632730 /nfs/dbraw/zinc/63/27/30/567632730.db2.gz LLWVTCWNLYPIBK-UHFFFAOYSA-N 1 2 376.791 3.347 20 5 GGBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2n1C ZINC000530960741 567633240 /nfs/dbraw/zinc/63/32/40/567633240.db2.gz KVBUOMWGWDGYLA-UHFFFAOYSA-N 1 2 380.813 3.244 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000553371287 567647006 /nfs/dbraw/zinc/64/70/06/567647006.db2.gz FKWPAPOLRGHEOL-UHFFFAOYSA-N 1 2 386.239 3.174 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3Br)CC2)cn1 ZINC000572571503 567649589 /nfs/dbraw/zinc/64/95/89/567649589.db2.gz POXPGIHPFFLHAA-UHFFFAOYSA-N 1 2 395.232 3.214 20 5 GGBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1Cc1ccccc1 ZINC000553686286 567676130 /nfs/dbraw/zinc/67/61/30/567676130.db2.gz ABKQPJBQWDCWEH-HNNXBMFYSA-N 1 2 391.269 3.115 20 5 GGBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1Cc1ccccc1 ZINC000553686286 567676135 /nfs/dbraw/zinc/67/61/35/567676135.db2.gz ABKQPJBQWDCWEH-HNNXBMFYSA-N 1 2 391.269 3.115 20 5 GGBDLO C[N@H+](Cc1cc(Br)ccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532523816 567719693 /nfs/dbraw/zinc/71/96/93/567719693.db2.gz OZRZMVKCDASTKQ-UHFFFAOYSA-N 1 2 396.216 3.227 20 5 GGBDLO C[N@@H+](Cc1cc(Br)ccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532523816 567719697 /nfs/dbraw/zinc/71/96/97/567719697.db2.gz OZRZMVKCDASTKQ-UHFFFAOYSA-N 1 2 396.216 3.227 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048261596 570224708 /nfs/dbraw/zinc/22/47/08/570224708.db2.gz BZAZLIPARWJTFW-UHFFFAOYSA-N 1 2 384.436 3.309 20 5 GGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000286057613 570552402 /nfs/dbraw/zinc/55/24/02/570552402.db2.gz CICRLJCAPQDGBL-NVXWUHKLSA-N 1 2 388.424 3.435 20 5 GGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000286057613 570552405 /nfs/dbraw/zinc/55/24/05/570552405.db2.gz CICRLJCAPQDGBL-NVXWUHKLSA-N 1 2 388.424 3.435 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036389911 570671426 /nfs/dbraw/zinc/67/14/26/570671426.db2.gz FXAMDOVJVBRSEN-MNOVXSKESA-N 1 2 375.347 3.205 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036389911 570671428 /nfs/dbraw/zinc/67/14/28/570671428.db2.gz FXAMDOVJVBRSEN-MNOVXSKESA-N 1 2 375.347 3.205 20 5 GGBDLO COc1cccc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2[nH+]ccn2C)c1 ZINC000012507640 570823237 /nfs/dbraw/zinc/82/32/37/570823237.db2.gz IREQHSQBGHWIAM-KRWDZBQOSA-N 1 2 381.392 3.248 20 5 GGBDLO COc1ccccc1[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000012507623 570823245 /nfs/dbraw/zinc/82/32/45/570823245.db2.gz NKCRLAWUIJPSHM-KRWDZBQOSA-N 1 2 381.392 3.248 20 5 GGBDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000047331106 570953615 /nfs/dbraw/zinc/95/36/15/570953615.db2.gz FLHCCJLTBMMFPG-CYBMUJFWSA-N 1 2 386.481 3.130 20 5 GGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000826498417 608464544 /nfs/dbraw/zinc/46/45/44/608464544.db2.gz TYLWUKSQQJFRBE-UHFFFAOYSA-N 1 2 380.383 3.203 20 5 GGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000826498417 608464546 /nfs/dbraw/zinc/46/45/46/608464546.db2.gz TYLWUKSQQJFRBE-UHFFFAOYSA-N 1 2 380.383 3.203 20 5 GGBDLO O=C(C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1)N1CCCC1 ZINC000054358167 1406700598 /nfs/dbraw/zinc/70/05/98/1406700598.db2.gz ZEKCNQBNOQGJHB-UHFFFAOYSA-N 1 2 390.465 3.164 20 5 GGBDLO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007355393 1398658191 /nfs/dbraw/zinc/65/81/91/1398658191.db2.gz JBSWMMDUTFFXSE-KRWDZBQOSA-N 1 2 386.496 3.112 20 5 GGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007355411 1398658436 /nfs/dbraw/zinc/65/84/36/1398658436.db2.gz CSUQKOYRZKSDMD-VIPLHTEESA-N 1 2 388.512 3.046 20 5 GGBDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000007453011 1398681080 /nfs/dbraw/zinc/68/10/80/1398681080.db2.gz PHYKIUQHJWKVMB-UHFFFAOYSA-N 1 2 387.436 3.299 20 5 GGBDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000007453011 1398681089 /nfs/dbraw/zinc/68/10/89/1398681089.db2.gz PHYKIUQHJWKVMB-UHFFFAOYSA-N 1 2 387.436 3.299 20 5 GGBDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000007452983 1398681730 /nfs/dbraw/zinc/68/17/30/1398681730.db2.gz DCMVZOVGKQTYGS-UHFFFAOYSA-N 1 2 387.436 3.299 20 5 GGBDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000007452983 1398681743 /nfs/dbraw/zinc/68/17/43/1398681743.db2.gz DCMVZOVGKQTYGS-UHFFFAOYSA-N 1 2 387.436 3.299 20 5 GGBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000055464684 1406971223 /nfs/dbraw/zinc/97/12/23/1406971223.db2.gz OKLCIZOUXRRJQQ-GFCCVEGCSA-N 1 2 381.348 3.180 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008004255 1398789559 /nfs/dbraw/zinc/78/95/59/1398789559.db2.gz GWNAZDBGESDYNA-UHFFFAOYSA-N 1 2 396.447 3.192 20 5 GGBDLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000010226289 1398881205 /nfs/dbraw/zinc/88/12/05/1398881205.db2.gz OUIRLWOPYOCEGP-GOSISDBHSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000010226289 1398881207 /nfs/dbraw/zinc/88/12/07/1398881207.db2.gz OUIRLWOPYOCEGP-GOSISDBHSA-N 1 2 385.420 3.388 20 5 GGBDLO Cc1[nH]c2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2[nH+]1 ZINC000010896509 1398930109 /nfs/dbraw/zinc/93/01/09/1398930109.db2.gz YVEWAJZTVPNWFE-UHFFFAOYSA-N 1 2 395.375 3.106 20 5 GGBDLO CCOC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000014830800 1399122590 /nfs/dbraw/zinc/12/25/90/1399122590.db2.gz SBEHETWFIGGHOD-UHFFFAOYSA-N 1 2 380.360 3.210 20 5 GGBDLO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015106105 1399140352 /nfs/dbraw/zinc/14/03/52/1399140352.db2.gz DFLYLKPOHDQNHU-UHFFFAOYSA-N 1 2 394.884 3.066 20 5 GGBDLO C[C@H](c1nnc(Sc2ccc([N+](=O)[O-])cn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000023616583 1399574413 /nfs/dbraw/zinc/57/44/13/1399574413.db2.gz YNHSFGGHBVTKHC-LLVKDONJSA-N 1 2 388.428 3.483 20 5 GGBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000024341717 1399622094 /nfs/dbraw/zinc/62/20/94/1399622094.db2.gz VUDGGTIODFVDAV-OAHLLOKOSA-N 1 2 387.465 3.098 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000024442063 1399631440 /nfs/dbraw/zinc/63/14/40/1399631440.db2.gz WMOZTMOQTIDCCX-UHFFFAOYSA-N 1 2 395.463 3.120 20 5 GGBDLO COc1cc(C)c(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000024744466 1399665596 /nfs/dbraw/zinc/66/55/96/1399665596.db2.gz NSRHQGBJLIGYPP-UHFFFAOYSA-N 1 2 388.420 3.419 20 5 GGBDLO COc1cc(C)c(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000024744466 1399665605 /nfs/dbraw/zinc/66/56/05/1399665605.db2.gz NSRHQGBJLIGYPP-UHFFFAOYSA-N 1 2 388.420 3.419 20 5 GGBDLO CCOc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000024748437 1399666815 /nfs/dbraw/zinc/66/68/15/1399666815.db2.gz VJLKOCKZRUTWPK-UHFFFAOYSA-N 1 2 380.404 3.168 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000025414673 1399806471 /nfs/dbraw/zinc/80/64/71/1399806471.db2.gz ALRXAFQSBOWXCD-SFHVURJKSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000025414673 1399806472 /nfs/dbraw/zinc/80/64/72/1399806472.db2.gz ALRXAFQSBOWXCD-SFHVURJKSA-N 1 2 385.420 3.388 20 5 GGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000055696731 1407058777 /nfs/dbraw/zinc/05/87/77/1407058777.db2.gz WCJKHWGGOIGHTB-UHFFFAOYSA-N 1 2 377.404 3.285 20 5 GGBDLO COc1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC ZINC000025917527 1399846005 /nfs/dbraw/zinc/84/60/05/1399846005.db2.gz XLDGKTXTQIPKKD-UHFFFAOYSA-N 1 2 384.392 3.294 20 5 GGBDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC ZINC000025917527 1399846007 /nfs/dbraw/zinc/84/60/07/1399846007.db2.gz XLDGKTXTQIPKKD-UHFFFAOYSA-N 1 2 384.392 3.294 20 5 GGBDLO Cc1c(NC(=O)CCN2CC[NH+](Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000026336633 1399879189 /nfs/dbraw/zinc/87/91/89/1399879189.db2.gz QBXQPFHBZFEXCV-UHFFFAOYSA-N 1 2 388.493 3.111 20 5 GGBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000026452504 1399891643 /nfs/dbraw/zinc/89/16/43/1399891643.db2.gz UMQSQYDIHTYAIW-UHFFFAOYSA-N 1 2 395.362 3.275 20 5 GGBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000026452504 1399891644 /nfs/dbraw/zinc/89/16/44/1399891644.db2.gz UMQSQYDIHTYAIW-UHFFFAOYSA-N 1 2 395.362 3.275 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)cn1 ZINC000026483446 1399894349 /nfs/dbraw/zinc/89/43/49/1399894349.db2.gz SXCIRZWBTNFJFR-UHFFFAOYSA-N 1 2 397.262 3.498 20 5 GGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000026775719 1399931963 /nfs/dbraw/zinc/93/19/63/1399931963.db2.gz IBAFJEPRIITNMY-UHFFFAOYSA-N 1 2 382.342 3.211 20 5 GGBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026926702 1399952576 /nfs/dbraw/zinc/95/25/76/1399952576.db2.gz IYNIQMJSXZEWQA-UHFFFAOYSA-N 1 2 383.452 3.099 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000027537989 1400051650 /nfs/dbraw/zinc/05/16/50/1400051650.db2.gz SCTXMNJZKXCFLC-GFCCVEGCSA-N 1 2 391.399 3.210 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000027537989 1400051657 /nfs/dbraw/zinc/05/16/57/1400051657.db2.gz SCTXMNJZKXCFLC-GFCCVEGCSA-N 1 2 391.399 3.210 20 5 GGBDLO CCNC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000055757066 1407076457 /nfs/dbraw/zinc/07/64/57/1407076457.db2.gz PWJDDANKUQXGIP-UHFFFAOYSA-N 1 2 393.403 3.091 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000028620695 1400178102 /nfs/dbraw/zinc/17/81/02/1400178102.db2.gz JXIYDCDTQJYQPV-UHFFFAOYSA-N 1 2 386.408 3.224 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000028733333 1400190130 /nfs/dbraw/zinc/19/01/30/1400190130.db2.gz WEPBVXZFJITZLI-UHFFFAOYSA-N 1 2 383.448 3.260 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000029117145 1400243126 /nfs/dbraw/zinc/24/31/26/1400243126.db2.gz BDQVMMKWHLYWAI-IBGZPJMESA-N 1 2 399.447 3.412 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000029117145 1400243133 /nfs/dbraw/zinc/24/31/33/1400243133.db2.gz BDQVMMKWHLYWAI-IBGZPJMESA-N 1 2 399.447 3.412 20 5 GGBDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000029117147 1400244181 /nfs/dbraw/zinc/24/41/81/1400244181.db2.gz BDQVMMKWHLYWAI-LJQANCHMSA-N 1 2 399.447 3.412 20 5 GGBDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000029117147 1400244187 /nfs/dbraw/zinc/24/41/87/1400244187.db2.gz BDQVMMKWHLYWAI-LJQANCHMSA-N 1 2 399.447 3.412 20 5 GGBDLO O=C(NC1CC1)c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000029147491 1400248756 /nfs/dbraw/zinc/24/87/56/1400248756.db2.gz IUEWWSRORGAQMQ-UHFFFAOYSA-N 1 2 381.436 3.094 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](Cc4ccsc4)CC3)o2)cc1 ZINC000029156514 1400249433 /nfs/dbraw/zinc/24/94/33/1400249433.db2.gz JEDHXLDVNXCLGC-UHFFFAOYSA-N 1 2 385.449 3.024 20 5 GGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000029625772 1400325348 /nfs/dbraw/zinc/32/53/48/1400325348.db2.gz VGDQZQQPILSZOL-HNNXBMFYSA-N 1 2 391.415 3.233 20 5 GGBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000029658625 1400331789 /nfs/dbraw/zinc/33/17/89/1400331789.db2.gz DSLIKMGJDLNJSI-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000029658625 1400331798 /nfs/dbraw/zinc/33/17/98/1400331798.db2.gz DSLIKMGJDLNJSI-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000029913437 1400377627 /nfs/dbraw/zinc/37/76/27/1400377627.db2.gz JVGSFZHOVVHORI-UHFFFAOYSA-N 1 2 382.376 3.440 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000029938229 1400383275 /nfs/dbraw/zinc/38/32/75/1400383275.db2.gz ULYNMBQZRPOMGV-UHFFFAOYSA-N 1 2 379.781 3.202 20 5 GGBDLO Cc1cc(C(=O)N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC000055904908 1407127141 /nfs/dbraw/zinc/12/71/41/1407127141.db2.gz HNFIUFUREHJIGM-UHFFFAOYSA-N 1 2 387.436 3.032 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000055957149 1407149192 /nfs/dbraw/zinc/14/91/92/1407149192.db2.gz FWYXZTGOQAPUFM-UHFFFAOYSA-N 1 2 379.781 3.202 20 5 GGBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000055996506 1407165850 /nfs/dbraw/zinc/16/58/50/1407165850.db2.gz OJWFAVXONGJXQQ-CABCVRRESA-N 1 2 394.435 3.178 20 5 GGBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000055996505 1407166098 /nfs/dbraw/zinc/16/60/98/1407166098.db2.gz OJWFAVXONGJXQQ-GJZGRUSLSA-N 1 2 394.435 3.178 20 5 GGBDLO Cn1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000056014139 1407172106 /nfs/dbraw/zinc/17/21/06/1407172106.db2.gz KQRCWWGQRIFELR-UHFFFAOYSA-N 1 2 388.387 3.433 20 5 GGBDLO Cc1cc(N2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000043149585 1403720574 /nfs/dbraw/zinc/72/05/74/1403720574.db2.gz FKSYMLBRLPRDCW-UHFFFAOYSA-N 1 2 398.467 3.479 20 5 GGBDLO Cc1cc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)nc(C(C)C)[nH+]1 ZINC000043347587 1403751867 /nfs/dbraw/zinc/75/18/67/1403751867.db2.gz ZXDXIDUUEWDSRU-UHFFFAOYSA-N 1 2 398.467 3.479 20 5 GGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043752788 1403812318 /nfs/dbraw/zinc/81/23/18/1403812318.db2.gz JNXLZCYUOXQJSW-UHFFFAOYSA-N 1 2 393.447 3.001 20 5 GGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000044231036 1403905406 /nfs/dbraw/zinc/90/54/06/1403905406.db2.gz PRMXBRVVCHUFMI-UHFFFAOYSA-N 1 2 396.472 3.291 20 5 GGBDLO COc1ccc([C@H]2CCC[N@@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c(OC)c1 ZINC000044756319 1403994785 /nfs/dbraw/zinc/99/47/85/1403994785.db2.gz ATAYXPXCIBOKOE-MRXNPFEDSA-N 1 2 399.403 3.315 20 5 GGBDLO COc1ccc([C@H]2CCC[N@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c(OC)c1 ZINC000044756319 1403994791 /nfs/dbraw/zinc/99/47/91/1403994791.db2.gz ATAYXPXCIBOKOE-MRXNPFEDSA-N 1 2 399.403 3.315 20 5 GGBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045281298 1404090414 /nfs/dbraw/zinc/09/04/14/1404090414.db2.gz SOSGFJWCSVRBIO-SFHVURJKSA-N 1 2 379.420 3.038 20 5 GGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045313553 1404097372 /nfs/dbraw/zinc/09/73/72/1404097372.db2.gz GYRCFHZLVCBOPQ-UHFFFAOYSA-N 1 2 386.437 3.166 20 5 GGBDLO CC(C)Oc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000045430963 1404121062 /nfs/dbraw/zinc/12/10/62/1404121062.db2.gz VCTVRGWZOGHYOI-UHFFFAOYSA-N 1 2 380.404 3.498 20 5 GGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000045520557 1404137199 /nfs/dbraw/zinc/13/71/99/1404137199.db2.gz CCADQCLCWZBRMZ-SFHVURJKSA-N 1 2 383.404 3.025 20 5 GGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000045520557 1404137203 /nfs/dbraw/zinc/13/72/03/1404137203.db2.gz CCADQCLCWZBRMZ-SFHVURJKSA-N 1 2 383.404 3.025 20 5 GGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)CC2)c1 ZINC000045603409 1404157830 /nfs/dbraw/zinc/15/78/30/1404157830.db2.gz PKBVHYBNJKSYPJ-UHFFFAOYSA-N 1 2 398.419 3.078 20 5 GGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)n2)C1 ZINC000045678410 1404175542 /nfs/dbraw/zinc/17/55/42/1404175542.db2.gz VANXAWCRUHUCLH-LLVKDONJSA-N 1 2 375.454 3.118 20 5 GGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)n2)C1 ZINC000045678410 1404175547 /nfs/dbraw/zinc/17/55/47/1404175547.db2.gz VANXAWCRUHUCLH-LLVKDONJSA-N 1 2 375.454 3.118 20 5 GGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000046343775 1404372778 /nfs/dbraw/zinc/37/27/78/1404372778.db2.gz JHOTUQDYICMURB-HZPDHXFCSA-N 1 2 383.448 3.385 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046343921 1404372857 /nfs/dbraw/zinc/37/28/57/1404372857.db2.gz ZOBBDOLOTWEZJI-IYBDPMFKSA-N 1 2 383.448 3.385 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046343921 1404372870 /nfs/dbraw/zinc/37/28/70/1404372870.db2.gz ZOBBDOLOTWEZJI-IYBDPMFKSA-N 1 2 383.448 3.385 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000046343771 1404373192 /nfs/dbraw/zinc/37/31/92/1404373192.db2.gz JHOTUQDYICMURB-IYBDPMFKSA-N 1 2 383.448 3.385 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000046343771 1404373204 /nfs/dbraw/zinc/37/32/04/1404373204.db2.gz JHOTUQDYICMURB-IYBDPMFKSA-N 1 2 383.448 3.385 20 5 GGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000046345055 1404374756 /nfs/dbraw/zinc/37/47/56/1404374756.db2.gz CAWAIKWRYZFHAQ-HOTGVXAUSA-N 1 2 399.447 3.222 20 5 GGBDLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000046599741 1404500696 /nfs/dbraw/zinc/50/06/96/1404500696.db2.gz YPVYFAQLJKPKSO-CQSZACIVSA-N 1 2 389.427 3.221 20 5 GGBDLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000046599741 1404500707 /nfs/dbraw/zinc/50/07/07/1404500707.db2.gz YPVYFAQLJKPKSO-CQSZACIVSA-N 1 2 389.427 3.221 20 5 GGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000046747725 1404575924 /nfs/dbraw/zinc/57/59/24/1404575924.db2.gz NSHJFRVWJRCSGO-LBPRGKRZSA-N 1 2 376.376 3.148 20 5 GGBDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(c2cccc[nH+]2)CC1 ZINC000047508579 1404854801 /nfs/dbraw/zinc/85/48/01/1404854801.db2.gz UFJIRMLHLRDQAE-UHFFFAOYSA-N 1 2 397.313 3.243 20 5 GGBDLO CCOc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1OC ZINC000047514780 1404856195 /nfs/dbraw/zinc/85/61/95/1404856195.db2.gz KYGBTSFWEAYPEO-UHFFFAOYSA-N 1 2 382.376 3.440 20 5 GGBDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743411 1404915128 /nfs/dbraw/zinc/91/51/28/1404915128.db2.gz YCVAWPJJUDKOFO-SFHVURJKSA-N 1 2 396.491 3.154 20 5 GGBDLO NC(=O)c1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000050231656 1405525581 /nfs/dbraw/zinc/52/55/81/1405525581.db2.gz YAMPTZSAYTVPEY-GOSISDBHSA-N 1 2 387.411 3.014 20 5 GGBDLO NC(=O)c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000050231656 1405525597 /nfs/dbraw/zinc/52/55/97/1405525597.db2.gz YAMPTZSAYTVPEY-GOSISDBHSA-N 1 2 387.411 3.014 20 5 GGBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000050257308 1405532963 /nfs/dbraw/zinc/53/29/63/1405532963.db2.gz MUFCELZAYWCCLH-UHFFFAOYSA-N 1 2 395.444 3.076 20 5 GGBDLO Cc1ccc(C(=O)NC2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000050924169 1405683057 /nfs/dbraw/zinc/68/30/57/1405683057.db2.gz DOGCCQBPNYBOOQ-UHFFFAOYSA-N 1 2 399.476 3.166 20 5 GGBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000050963917 1405692475 /nfs/dbraw/zinc/69/24/75/1405692475.db2.gz BKJGEIIGHIKWBI-KRWDZBQOSA-N 1 2 387.411 3.354 20 5 GGBDLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000050963917 1405692488 /nfs/dbraw/zinc/69/24/88/1405692488.db2.gz BKJGEIIGHIKWBI-KRWDZBQOSA-N 1 2 387.411 3.354 20 5 GGBDLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000051454293 1405813998 /nfs/dbraw/zinc/81/39/98/1405813998.db2.gz LHWBHGASHRDUNE-UHFFFAOYSA-N 1 2 384.392 3.294 20 5 GGBDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000051454293 1405814000 /nfs/dbraw/zinc/81/40/00/1405814000.db2.gz LHWBHGASHRDUNE-UHFFFAOYSA-N 1 2 384.392 3.294 20 5 GGBDLO COc1ccc(OCC[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000051704696 1405852813 /nfs/dbraw/zinc/85/28/13/1405852813.db2.gz OVQWNBVLLUJLTE-UHFFFAOYSA-N 1 2 384.392 3.164 20 5 GGBDLO COc1ccc(OCC[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000051704696 1405852815 /nfs/dbraw/zinc/85/28/15/1405852815.db2.gz OVQWNBVLLUJLTE-UHFFFAOYSA-N 1 2 384.392 3.164 20 5 GGBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000051870450 1405878525 /nfs/dbraw/zinc/87/85/25/1405878525.db2.gz WRHKLISOKWDOPJ-UHFFFAOYSA-N 1 2 397.435 3.251 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052865540 1406204683 /nfs/dbraw/zinc/20/46/83/1406204683.db2.gz YSASGEDHBQZHBT-SFHVURJKSA-N 1 2 399.447 3.223 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052865540 1406204691 /nfs/dbraw/zinc/20/46/91/1406204691.db2.gz YSASGEDHBQZHBT-SFHVURJKSA-N 1 2 399.447 3.223 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052865577 1406204981 /nfs/dbraw/zinc/20/49/81/1406204981.db2.gz OBIWWFDUQXGRPC-SFHVURJKSA-N 1 2 399.447 3.223 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052865577 1406204989 /nfs/dbraw/zinc/20/49/89/1406204989.db2.gz OBIWWFDUQXGRPC-SFHVURJKSA-N 1 2 399.447 3.223 20 5 GGBDLO Cc1c(NC(=O)CC[N@@H+](C)Cc2nccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000057845320 1407737240 /nfs/dbraw/zinc/73/72/40/1407737240.db2.gz DQKJALKQEJVRCG-UHFFFAOYSA-N 1 2 399.373 3.123 20 5 GGBDLO Cc1c(NC(=O)CC[N@H+](C)Cc2nccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000057845320 1407737251 /nfs/dbraw/zinc/73/72/51/1407737251.db2.gz DQKJALKQEJVRCG-UHFFFAOYSA-N 1 2 399.373 3.123 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c2ncccc12 ZINC000058621001 1407852826 /nfs/dbraw/zinc/85/28/26/1407852826.db2.gz LVWVGKOGAHDQCD-UHFFFAOYSA-N 1 2 388.431 3.113 20 5 GGBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058829491 1407887368 /nfs/dbraw/zinc/88/73/68/1407887368.db2.gz GOHYDSALQFZUPL-LJQANCHMSA-N 1 2 385.489 3.044 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1C ZINC000058956715 1407904575 /nfs/dbraw/zinc/90/45/75/1407904575.db2.gz JCUVOTZZVZESJV-UHFFFAOYSA-N 1 2 395.419 3.073 20 5 GGBDLO O=C(Nc1ccnn1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060439600 1407977831 /nfs/dbraw/zinc/97/78/31/1407977831.db2.gz VOMLYIUJMBUFAH-UHFFFAOYSA-N 1 2 388.387 3.278 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000065869313 1408745440 /nfs/dbraw/zinc/74/54/40/1408745440.db2.gz JAVMSQMLAUVFCC-IYBDPMFKSA-N 1 2 398.463 3.255 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000065869313 1408745445 /nfs/dbraw/zinc/74/54/45/1408745445.db2.gz JAVMSQMLAUVFCC-IYBDPMFKSA-N 1 2 398.463 3.255 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000066690254 1408886862 /nfs/dbraw/zinc/88/68/62/1408886862.db2.gz IBDWUHUVOUQGJU-LJQANCHMSA-N 1 2 396.378 3.133 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000066693744 1408888190 /nfs/dbraw/zinc/88/81/90/1408888190.db2.gz TWIKAGCZEOTFER-IBGZPJMESA-N 1 2 396.378 3.133 20 5 GGBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000066847418 1408929265 /nfs/dbraw/zinc/92/92/65/1408929265.db2.gz VBLQGPMRPVHXEU-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000066847418 1408929272 /nfs/dbraw/zinc/92/92/72/1408929272.db2.gz VBLQGPMRPVHXEU-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000066849367 1408930958 /nfs/dbraw/zinc/93/09/58/1408930958.db2.gz ZESZTADKJDZEKT-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000066849367 1408930968 /nfs/dbraw/zinc/93/09/68/1408930968.db2.gz ZESZTADKJDZEKT-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000067141586 1409020388 /nfs/dbraw/zinc/02/03/88/1409020388.db2.gz OJVJVBAQYAIDNV-UHFFFAOYSA-N 1 2 383.448 3.260 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000067299210 1409067324 /nfs/dbraw/zinc/06/73/24/1409067324.db2.gz UNBMVHPUJSZNBO-UHFFFAOYSA-N 1 2 376.438 3.298 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000067549500 1409156767 /nfs/dbraw/zinc/15/67/67/1409156767.db2.gz DAONNVXHBBQZOP-GASCZTMLSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000067549500 1409156775 /nfs/dbraw/zinc/15/67/75/1409156775.db2.gz DAONNVXHBBQZOP-GASCZTMLSA-N 1 2 399.447 3.465 20 5 GGBDLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000067645971 1409195131 /nfs/dbraw/zinc/19/51/31/1409195131.db2.gz LCPHNJXAGLOFOP-CYBMUJFWSA-N 1 2 383.383 3.480 20 5 GGBDLO COc1ccc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000067818795 1409237636 /nfs/dbraw/zinc/23/76/36/1409237636.db2.gz XIMARNDDCLMBKN-UHFFFAOYSA-N 1 2 396.403 3.060 20 5 GGBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000068051404 1409287387 /nfs/dbraw/zinc/28/73/87/1409287387.db2.gz NENRMWUNLHAOLS-INIZCTEOSA-N 1 2 396.407 3.168 20 5 GGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000068217265 1409332329 /nfs/dbraw/zinc/33/23/29/1409332329.db2.gz JAVMSQMLAUVFCC-HOTGVXAUSA-N 1 2 398.463 3.255 20 5 GGBDLO COc1cccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000068254359 1409340457 /nfs/dbraw/zinc/34/04/57/1409340457.db2.gz ZIGLQDWJPNQUEI-GOSISDBHSA-N 1 2 399.447 3.223 20 5 GGBDLO COc1cccc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000068254359 1409340462 /nfs/dbraw/zinc/34/04/62/1409340462.db2.gz ZIGLQDWJPNQUEI-GOSISDBHSA-N 1 2 399.447 3.223 20 5 GGBDLO COc1cc([N+](=O)[O-])c(C(=O)NCCCCNc2cccc[nH+]2)cc1SC ZINC000068421476 1409397813 /nfs/dbraw/zinc/39/78/13/1409397813.db2.gz NOEIZBALSDAXRF-UHFFFAOYSA-N 1 2 390.465 3.342 20 5 GGBDLO Cc1noc(C2CC[NH+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC2)n1 ZINC000068966677 1409535421 /nfs/dbraw/zinc/53/54/21/1409535421.db2.gz WEZVEXUJIIMCBZ-UHFFFAOYSA-N 1 2 375.410 3.401 20 5 GGBDLO CCCc1[nH]nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000069373390 1409624480 /nfs/dbraw/zinc/62/44/80/1409624480.db2.gz OFVDIWPXRPKIQP-LLVKDONJSA-N 1 2 392.485 3.211 20 5 GGBDLO CCCc1[nH]nc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000069373390 1409624485 /nfs/dbraw/zinc/62/44/85/1409624485.db2.gz OFVDIWPXRPKIQP-LLVKDONJSA-N 1 2 392.485 3.211 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000070794267 1409776790 /nfs/dbraw/zinc/77/67/90/1409776790.db2.gz YAGUTQBNKXYXDQ-UHFFFAOYSA-N 1 2 382.420 3.084 20 5 GGBDLO CC(=O)c1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000072039270 1409839968 /nfs/dbraw/zinc/83/99/68/1409839968.db2.gz URQRDPFGHHWVBO-UHFFFAOYSA-N 1 2 399.447 3.121 20 5 GGBDLO O=C(CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1)N1CCCC1 ZINC000092057202 1410103100 /nfs/dbraw/zinc/10/31/00/1410103100.db2.gz OXTUNVQKGJZNOV-UHFFFAOYSA-N 1 2 397.422 3.421 20 5 GGBDLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000092667912 1410188088 /nfs/dbraw/zinc/18/80/88/1410188088.db2.gz GKELWKQNNKCVMQ-UHFFFAOYSA-N 1 2 383.448 3.137 20 5 GGBDLO CCn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cn1 ZINC000093015329 1410216656 /nfs/dbraw/zinc/21/66/56/1410216656.db2.gz ITAHIDDCKINIKS-UHFFFAOYSA-N 1 2 383.374 3.152 20 5 GGBDLO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)CS(=O)(=O)CC ZINC000093413980 1410244619 /nfs/dbraw/zinc/24/46/19/1410244619.db2.gz UTKJYBOISJFTNN-CQSZACIVSA-N 1 2 380.466 3.500 20 5 GGBDLO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)CS(=O)(=O)CC ZINC000093413980 1410244622 /nfs/dbraw/zinc/24/46/22/1410244622.db2.gz UTKJYBOISJFTNN-CQSZACIVSA-N 1 2 380.466 3.500 20 5 GGBDLO C[C@H](N1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000093882677 1410278961 /nfs/dbraw/zinc/27/89/61/1410278961.db2.gz YVAXQPXEEICHEY-ZDUSSCGKSA-N 1 2 397.401 3.064 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000093906002 1410281656 /nfs/dbraw/zinc/28/16/56/1410281656.db2.gz OYEDSUASMYIZGJ-UHFFFAOYSA-N 1 2 397.475 3.282 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000093907149 1410282739 /nfs/dbraw/zinc/28/27/39/1410282739.db2.gz BYSBPIJXYDRXTK-IBGZPJMESA-N 1 2 397.475 3.151 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000093907149 1410282747 /nfs/dbraw/zinc/28/27/47/1410282747.db2.gz BYSBPIJXYDRXTK-IBGZPJMESA-N 1 2 397.475 3.151 20 5 GGBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000097473970 1410370473 /nfs/dbraw/zinc/37/04/73/1410370473.db2.gz BTQAASYUWCNHGR-UHFFFAOYSA-N 1 2 387.411 3.091 20 5 GGBDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000097473970 1410370482 /nfs/dbraw/zinc/37/04/82/1410370482.db2.gz BTQAASYUWCNHGR-UHFFFAOYSA-N 1 2 387.411 3.091 20 5 GGBDLO CN(c1ccccc1)C1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000176819769 1428482637 /nfs/dbraw/zinc/48/26/37/1428482637.db2.gz VWBMWFARLUDGDV-UHFFFAOYSA-N 1 2 392.463 3.412 20 5 GGBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861693 1410510218 /nfs/dbraw/zinc/51/02/18/1410510218.db2.gz IEMZPCAPKURBCH-UHFFFAOYSA-N 1 2 383.433 3.392 20 5 GGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101866399 1410511554 /nfs/dbraw/zinc/51/15/54/1410511554.db2.gz QZZLAFZSAOHMGO-GFCCVEGCSA-N 1 2 378.816 3.076 20 5 GGBDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000101904549 1410516587 /nfs/dbraw/zinc/51/65/87/1410516587.db2.gz IQKVRYXOWAKHMZ-CYBMUJFWSA-N 1 2 392.481 3.314 20 5 GGBDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000101904549 1410516604 /nfs/dbraw/zinc/51/66/04/1410516604.db2.gz IQKVRYXOWAKHMZ-CYBMUJFWSA-N 1 2 392.481 3.314 20 5 GGBDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000101904545 1410516920 /nfs/dbraw/zinc/51/69/20/1410516920.db2.gz IQKVRYXOWAKHMZ-ZDUSSCGKSA-N 1 2 392.481 3.314 20 5 GGBDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000101904545 1410516925 /nfs/dbraw/zinc/51/69/25/1410516925.db2.gz IQKVRYXOWAKHMZ-ZDUSSCGKSA-N 1 2 392.481 3.314 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000102859919 1410802108 /nfs/dbraw/zinc/80/21/08/1410802108.db2.gz APCGOQGNYKHWQG-SFHVURJKSA-N 1 2 397.475 3.266 20 5 GGBDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000102939884 1410810355 /nfs/dbraw/zinc/81/03/55/1410810355.db2.gz IAOXFYPJXHHFMZ-KRWDZBQOSA-N 1 2 398.463 3.350 20 5 GGBDLO O=C(NC1CCCCC1)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103469802 1410861438 /nfs/dbraw/zinc/86/14/38/1410861438.db2.gz XNCGVHBHIKWOQO-UHFFFAOYSA-N 1 2 378.448 3.330 20 5 GGBDLO Cc1cc(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)nc(C(C)C)[nH+]1 ZINC000176993658 1428544672 /nfs/dbraw/zinc/54/46/72/1428544672.db2.gz DWDXIMWZBHKNTR-UHFFFAOYSA-N 1 2 396.451 3.280 20 5 GGBDLO O=c1cc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c2c(ccc3ccccc32)o1 ZINC000106193759 1411179842 /nfs/dbraw/zinc/17/98/42/1411179842.db2.gz DXVDXAVVXTUYNS-GOSISDBHSA-N 1 2 375.428 3.044 20 5 GGBDLO O=c1cc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c2c(ccc3ccccc32)o1 ZINC000106193759 1411179854 /nfs/dbraw/zinc/17/98/54/1411179854.db2.gz DXVDXAVVXTUYNS-GOSISDBHSA-N 1 2 375.428 3.044 20 5 GGBDLO O=C(NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1)c1ccccc1 ZINC000176996072 1428546355 /nfs/dbraw/zinc/54/63/55/1428546355.db2.gz STGNKXGUXIQWHG-UHFFFAOYSA-N 1 2 380.404 3.130 20 5 GGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107180537 1411347999 /nfs/dbraw/zinc/34/79/99/1411347999.db2.gz GZYRAWZHBQGQIT-UHFFFAOYSA-N 1 2 397.479 3.489 20 5 GGBDLO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000107699706 1411399225 /nfs/dbraw/zinc/39/92/25/1411399225.db2.gz NZSOBRMFNYCPNM-ROUUACIJSA-N 1 2 396.491 3.025 20 5 GGBDLO O=C(C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000108386962 1411485157 /nfs/dbraw/zinc/48/51/57/1411485157.db2.gz KDKLQIYKWVCYCP-HXUWFJFHSA-N 1 2 387.411 3.118 20 5 GGBDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000108581298 1411544146 /nfs/dbraw/zinc/54/41/46/1411544146.db2.gz ZYOZKPRTVGUTED-UHFFFAOYSA-N 1 2 386.339 3.189 20 5 GGBDLO O=C(NC[C@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000108740078 1411593507 /nfs/dbraw/zinc/59/35/07/1411593507.db2.gz YNXJFUHKSIOJOA-OAHLLOKOSA-N 1 2 378.388 3.077 20 5 GGBDLO O=[N+]([O-])c1cccc(OCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000109581587 1411793278 /nfs/dbraw/zinc/79/32/78/1411793278.db2.gz DEDZTGATINCVRD-UHFFFAOYSA-N 1 2 396.403 3.056 20 5 GGBDLO O=[N+]([O-])c1ccccc1NCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109582548 1411794690 /nfs/dbraw/zinc/79/46/90/1411794690.db2.gz WBWXZUGEZWOONO-UHFFFAOYSA-N 1 2 395.419 3.089 20 5 GGBDLO Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1[N+](=O)[O-] ZINC000109582468 1411795068 /nfs/dbraw/zinc/79/50/68/1411795068.db2.gz MJAWCKZGKQGDRA-UHFFFAOYSA-N 1 2 380.404 3.452 20 5 GGBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000110176878 1411835671 /nfs/dbraw/zinc/83/56/71/1411835671.db2.gz AILWFVKZPRTKNG-UHFFFAOYSA-N 1 2 389.839 3.085 20 5 GGBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)CC1 ZINC000110247588 1411840146 /nfs/dbraw/zinc/84/01/46/1411840146.db2.gz YIKWECPPOINXSG-UHFFFAOYSA-N 1 2 388.855 3.248 20 5 GGBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000110346196 1411845667 /nfs/dbraw/zinc/84/56/67/1411845667.db2.gz UUFLKYFOOCMCQB-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000111311114 1411908697 /nfs/dbraw/zinc/90/86/97/1411908697.db2.gz QCKMILNTVKSCFT-HNNXBMFYSA-N 1 2 390.465 3.316 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000111311114 1411908721 /nfs/dbraw/zinc/90/87/21/1411908721.db2.gz QCKMILNTVKSCFT-HNNXBMFYSA-N 1 2 390.465 3.316 20 5 GGBDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000111375680 1411932945 /nfs/dbraw/zinc/93/29/45/1411932945.db2.gz FMAAIBYJNOLGAH-WDEREUQCSA-N 1 2 378.454 3.300 20 5 GGBDLO Cc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000114054140 1412377833 /nfs/dbraw/zinc/37/78/33/1412377833.db2.gz ZXIYYQBMZQWPGI-UHFFFAOYSA-N 1 2 377.466 3.382 20 5 GGBDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000114724562 1412511891 /nfs/dbraw/zinc/51/18/91/1412511891.db2.gz MTMJGAKEGRRPFR-MRXNPFEDSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000114724562 1412511897 /nfs/dbraw/zinc/51/18/97/1412511897.db2.gz MTMJGAKEGRRPFR-MRXNPFEDSA-N 1 2 385.420 3.388 20 5 GGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000115380671 1412662833 /nfs/dbraw/zinc/66/28/33/1412662833.db2.gz WXWCLTWMDXMXCP-UHFFFAOYSA-N 1 2 382.445 3.492 20 5 GGBDLO COc1ccccc1C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000116429262 1412858901 /nfs/dbraw/zinc/85/89/01/1412858901.db2.gz GHCNHVWEYMAEHF-UHFFFAOYSA-N 1 2 392.415 3.251 20 5 GGBDLO O=C(NCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000118724257 1413210705 /nfs/dbraw/zinc/21/07/05/1413210705.db2.gz QMWXNTVSLLSXDC-UHFFFAOYSA-N 1 2 383.452 3.212 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119107946 1413339449 /nfs/dbraw/zinc/33/94/49/1413339449.db2.gz GFQRZBUYTMNHIV-ZDUSSCGKSA-N 1 2 385.424 3.018 20 5 GGBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119288748 1413399935 /nfs/dbraw/zinc/39/99/35/1413399935.db2.gz LOAKKFPWGCIKFU-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000177413037 1428725535 /nfs/dbraw/zinc/72/55/35/1428725535.db2.gz RKDFAEBAERJVKH-UGSOOPFHSA-N 1 2 396.403 3.285 20 5 GGBDLO Cc1cc[nH+]c(N2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000119455673 1413453172 /nfs/dbraw/zinc/45/31/72/1413453172.db2.gz UPECDCOZWDOYNN-UHFFFAOYSA-N 1 2 379.420 3.275 20 5 GGBDLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000119692765 1413533837 /nfs/dbraw/zinc/53/38/37/1413533837.db2.gz ODCJPGFGTQFLFF-JOCHJYFZSA-N 1 2 388.427 3.258 20 5 GGBDLO COc1c(C)c[nH+]c(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000119867923 1413599145 /nfs/dbraw/zinc/59/91/45/1413599145.db2.gz AQROCVJUGLWKDL-UHFFFAOYSA-N 1 2 386.452 3.437 20 5 GGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120046056 1413666606 /nfs/dbraw/zinc/66/66/06/1413666606.db2.gz HASVRFDGKUAFMR-LSDHHAIUSA-N 1 2 388.493 3.290 20 5 GGBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000120064168 1413672929 /nfs/dbraw/zinc/67/29/29/1413672929.db2.gz OLWDPRKIQKYKGK-UHFFFAOYSA-N 1 2 383.448 3.260 20 5 GGBDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000120064168 1413672937 /nfs/dbraw/zinc/67/29/37/1413672937.db2.gz OLWDPRKIQKYKGK-UHFFFAOYSA-N 1 2 383.448 3.260 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120303012 1413775890 /nfs/dbraw/zinc/77/58/90/1413775890.db2.gz RNEWCMJOPGKHBO-SFHVURJKSA-N 1 2 398.463 3.234 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120303012 1413775895 /nfs/dbraw/zinc/77/58/95/1413775895.db2.gz RNEWCMJOPGKHBO-SFHVURJKSA-N 1 2 398.463 3.234 20 5 GGBDLO Cc1cc[nH+]c(N2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c1 ZINC000120925177 1413950242 /nfs/dbraw/zinc/95/02/42/1413950242.db2.gz QLHKWIMLLIMLCJ-UHFFFAOYSA-N 1 2 378.379 3.222 20 5 GGBDLO COc1ccc(NC(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000177501441 1428771316 /nfs/dbraw/zinc/77/13/16/1428771316.db2.gz HXLSEHORLYDRRN-UHFFFAOYSA-N 1 2 391.468 3.213 20 5 GGBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121180926 1414035941 /nfs/dbraw/zinc/03/59/41/1414035941.db2.gz JNFQGHCRJKVYKI-ZDUSSCGKSA-N 1 2 381.310 3.302 20 5 GGBDLO Cc1nn(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121277874 1414068753 /nfs/dbraw/zinc/06/87/53/1414068753.db2.gz AOXRCKRWTHKTPY-OAQYLSRUSA-N 1 2 378.432 3.384 20 5 GGBDLO Cc1nn(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121277874 1414068759 /nfs/dbraw/zinc/06/87/59/1414068759.db2.gz AOXRCKRWTHKTPY-OAQYLSRUSA-N 1 2 378.432 3.384 20 5 GGBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000121662161 1414216096 /nfs/dbraw/zinc/21/60/96/1414216096.db2.gz QBYGUPZBAIFNBJ-GFCCVEGCSA-N 1 2 393.469 3.253 20 5 GGBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000121662161 1414216101 /nfs/dbraw/zinc/21/61/01/1414216101.db2.gz QBYGUPZBAIFNBJ-GFCCVEGCSA-N 1 2 393.469 3.253 20 5 GGBDLO O=C(C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000121783064 1414255680 /nfs/dbraw/zinc/25/56/80/1414255680.db2.gz WNPZLTXJLJXDJJ-HNNXBMFYSA-N 1 2 399.472 3.283 20 5 GGBDLO O=C(C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000121783064 1414255684 /nfs/dbraw/zinc/25/56/84/1414255684.db2.gz WNPZLTXJLJXDJJ-HNNXBMFYSA-N 1 2 399.472 3.283 20 5 GGBDLO COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000121882582 1414289520 /nfs/dbraw/zinc/28/95/20/1414289520.db2.gz FRFYBCRFQRGMQC-INIZCTEOSA-N 1 2 378.388 3.206 20 5 GGBDLO COC(=O)c1sccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122529900 1414491660 /nfs/dbraw/zinc/49/16/60/1414491660.db2.gz HDHFNGNCMZMUII-UHFFFAOYSA-N 1 2 376.434 3.486 20 5 GGBDLO O=C(OCc1nc(-c2ccccc2)no1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000123517886 1414760260 /nfs/dbraw/zinc/76/02/60/1414760260.db2.gz PEWMCTRIDAZEME-UHFFFAOYSA-N 1 2 391.343 3.188 20 5 GGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](Cc2cccs2)CC1 ZINC000123703416 1414812328 /nfs/dbraw/zinc/81/23/28/1414812328.db2.gz BEWOWDMDYLKIQD-UHFFFAOYSA-N 1 2 384.461 3.025 20 5 GGBDLO Cc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000177833625 1428868148 /nfs/dbraw/zinc/86/81/48/1428868148.db2.gz CVPXISUESATOSO-ZDUSSCGKSA-N 1 2 395.375 3.488 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125635126 1415242723 /nfs/dbraw/zinc/24/27/23/1415242723.db2.gz PVSMTFMCKWEGNI-UHFFFAOYSA-N 1 2 391.468 3.356 20 5 GGBDLO Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000177892208 1428885444 /nfs/dbraw/zinc/88/54/44/1428885444.db2.gz NCHMCEFKPAWZPQ-KRWDZBQOSA-N 1 2 377.404 3.461 20 5 GGBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125787109 1415280539 /nfs/dbraw/zinc/28/05/39/1415280539.db2.gz ZXFXUWJUKJYYAN-MLGOLLRUSA-N 1 2 376.434 3.086 20 5 GGBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125787109 1415280544 /nfs/dbraw/zinc/28/05/44/1415280544.db2.gz ZXFXUWJUKJYYAN-MLGOLLRUSA-N 1 2 376.434 3.086 20 5 GGBDLO C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000125889317 1415305464 /nfs/dbraw/zinc/30/54/64/1415305464.db2.gz RQROCYKSGPKKNL-KXBFYZLASA-N 1 2 383.452 3.115 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000126247400 1415393400 /nfs/dbraw/zinc/39/34/00/1415393400.db2.gz ZTSRWVBFFASEFX-RMKNXTFCSA-N 1 2 381.432 3.387 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126345741 1415423167 /nfs/dbraw/zinc/42/31/67/1415423167.db2.gz WFPNHRZXBCMMHX-UHFFFAOYSA-N 1 2 394.431 3.472 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126345741 1415423174 /nfs/dbraw/zinc/42/31/74/1415423174.db2.gz WFPNHRZXBCMMHX-UHFFFAOYSA-N 1 2 394.431 3.472 20 5 GGBDLO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CS(=O)(=O)CC ZINC000126374512 1415430070 /nfs/dbraw/zinc/43/00/70/1415430070.db2.gz GCLONHSQBOIAOP-CQSZACIVSA-N 1 2 380.466 3.500 20 5 GGBDLO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CS(=O)(=O)CC ZINC000126374512 1415430073 /nfs/dbraw/zinc/43/00/73/1415430073.db2.gz GCLONHSQBOIAOP-CQSZACIVSA-N 1 2 380.466 3.500 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126420708 1415447624 /nfs/dbraw/zinc/44/76/24/1415447624.db2.gz DSFCVCHIXGGMKP-KRWDZBQOSA-N 1 2 375.812 3.088 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126420708 1415447627 /nfs/dbraw/zinc/44/76/27/1415447627.db2.gz DSFCVCHIXGGMKP-KRWDZBQOSA-N 1 2 375.812 3.088 20 5 GGBDLO O=C1CCCCN1C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000126592804 1415502147 /nfs/dbraw/zinc/50/21/47/1415502147.db2.gz MXMRMOQHUNLFCJ-UHFFFAOYSA-N 1 2 390.465 3.306 20 5 GGBDLO C[C@@]1(O)CC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000178019292 1428939908 /nfs/dbraw/zinc/93/99/08/1428939908.db2.gz KFXXQZUTEVMYJV-PKOBYXMFSA-N 1 2 389.839 3.385 20 5 GGBDLO C[C@@]1(O)CC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000178019292 1428939912 /nfs/dbraw/zinc/93/99/12/1428939912.db2.gz KFXXQZUTEVMYJV-PKOBYXMFSA-N 1 2 389.839 3.385 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000126875318 1415592491 /nfs/dbraw/zinc/59/24/91/1415592491.db2.gz FMEVVAFFDORTIA-LJQANCHMSA-N 1 2 390.443 3.483 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000126875318 1415592497 /nfs/dbraw/zinc/59/24/97/1415592497.db2.gz FMEVVAFFDORTIA-LJQANCHMSA-N 1 2 390.443 3.483 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000126921162 1415610163 /nfs/dbraw/zinc/61/01/63/1415610163.db2.gz FKYGDCCINSGTOO-HUUCEWRRSA-N 1 2 399.447 3.465 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000126968364 1415621227 /nfs/dbraw/zinc/62/12/27/1415621227.db2.gz AISIYPLYKHZAFH-QZTJIDSGSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000126968364 1415621234 /nfs/dbraw/zinc/62/12/34/1415621234.db2.gz AISIYPLYKHZAFH-QZTJIDSGSA-N 1 2 389.839 3.050 20 5 GGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127476923 1415795522 /nfs/dbraw/zinc/79/55/22/1415795522.db2.gz XEUBARKESFJJQW-UHFFFAOYSA-N 1 2 399.394 3.463 20 5 GGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127476923 1415795529 /nfs/dbraw/zinc/79/55/29/1415795529.db2.gz XEUBARKESFJJQW-UHFFFAOYSA-N 1 2 399.394 3.463 20 5 GGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000127813880 1415855567 /nfs/dbraw/zinc/85/55/67/1415855567.db2.gz RNXNLJAGVGIRTF-UHFFFAOYSA-N 1 2 398.463 3.366 20 5 GGBDLO COc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000128629592 1416029399 /nfs/dbraw/zinc/02/93/99/1416029399.db2.gz JCKLOHNNXMPBSP-CYBMUJFWSA-N 1 2 375.450 3.184 20 5 GGBDLO O=C(OCCc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178306111 1429048039 /nfs/dbraw/zinc/04/80/39/1429048039.db2.gz WEPWZJIGBAZVCK-UHFFFAOYSA-N 1 2 382.332 3.088 20 5 GGBDLO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1O2 ZINC000129474309 1416215583 /nfs/dbraw/zinc/21/55/83/1416215583.db2.gz NZGFWKUNBARSMZ-KRWDZBQOSA-N 1 2 397.431 3.018 20 5 GGBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129984856 1416296241 /nfs/dbraw/zinc/29/62/41/1416296241.db2.gz BVCPILQDNCDCBX-UHFFFAOYSA-N 1 2 389.415 3.293 20 5 GGBDLO COCc1ccccc1CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130236448 1416344207 /nfs/dbraw/zinc/34/42/07/1416344207.db2.gz OWDNQBHNMQUWNF-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO COCc1ccccc1CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130236448 1416344209 /nfs/dbraw/zinc/34/42/09/1416344209.db2.gz OWDNQBHNMQUWNF-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO CCOc1cccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130237804 1416344500 /nfs/dbraw/zinc/34/45/00/1416344500.db2.gz MMBCPYIZQISMPU-UHFFFAOYSA-N 1 2 383.448 3.274 20 5 GGBDLO CCOc1cccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130237804 1416344505 /nfs/dbraw/zinc/34/45/05/1416344505.db2.gz MMBCPYIZQISMPU-UHFFFAOYSA-N 1 2 383.448 3.274 20 5 GGBDLO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000130639066 1416415288 /nfs/dbraw/zinc/41/52/88/1416415288.db2.gz GBSGHLSTIYCZTL-XLIONFOSSA-N 1 2 392.415 3.431 20 5 GGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1cc(F)cc(F)c1 ZINC000130741472 1416439651 /nfs/dbraw/zinc/43/96/51/1416439651.db2.gz OGNYUZKAKGOHPI-UHFFFAOYSA-N 1 2 375.375 3.154 20 5 GGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1cc(F)cc(F)c1 ZINC000130741472 1416439656 /nfs/dbraw/zinc/43/96/56/1416439656.db2.gz OGNYUZKAKGOHPI-UHFFFAOYSA-N 1 2 375.375 3.154 20 5 GGBDLO Cc1nsc(N2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000130971198 1416489678 /nfs/dbraw/zinc/48/96/78/1416489678.db2.gz IGKBEBFSYJNAHG-UHFFFAOYSA-N 1 2 385.449 3.337 20 5 GGBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131034049 1416499108 /nfs/dbraw/zinc/49/91/08/1416499108.db2.gz OWPUTVILSOFVJV-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000131076843 1416505265 /nfs/dbraw/zinc/50/52/65/1416505265.db2.gz LZWASCNQMUZLNI-QGZVFWFLSA-N 1 2 385.420 3.060 20 5 GGBDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000131076843 1416505268 /nfs/dbraw/zinc/50/52/68/1416505268.db2.gz LZWASCNQMUZLNI-QGZVFWFLSA-N 1 2 385.420 3.060 20 5 GGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000131076598 1416505453 /nfs/dbraw/zinc/50/54/53/1416505453.db2.gz LZWASCNQMUZLNI-KRWDZBQOSA-N 1 2 385.420 3.060 20 5 GGBDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000131076598 1416505455 /nfs/dbraw/zinc/50/54/55/1416505455.db2.gz LZWASCNQMUZLNI-KRWDZBQOSA-N 1 2 385.420 3.060 20 5 GGBDLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000131394678 1416550470 /nfs/dbraw/zinc/55/04/70/1416550470.db2.gz XBOLKEIRHIEYCE-UHFFFAOYSA-N 1 2 385.311 3.389 20 5 GGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000132924057 1416831993 /nfs/dbraw/zinc/83/19/93/1416831993.db2.gz KGWVIYFGLKYEER-MRXNPFEDSA-N 1 2 395.525 3.184 20 5 GGBDLO O=C(Nc1cccc(OCC(F)F)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000133071243 1416848583 /nfs/dbraw/zinc/84/85/83/1416848583.db2.gz AWFXTNVFOQVIDK-UHFFFAOYSA-N 1 2 389.318 3.072 20 5 GGBDLO Cc1ccc2[nH+]c(CSCC(=O)NCCc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000133148824 1416857531 /nfs/dbraw/zinc/85/75/31/1416857531.db2.gz JRZXIXWUEIPBTR-UHFFFAOYSA-N 1 2 384.461 3.143 20 5 GGBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000134121248 1417025208 /nfs/dbraw/zinc/02/52/08/1417025208.db2.gz MWLIAAJBXQFKQD-BLLLJJGKSA-N 1 2 376.388 3.195 20 5 GGBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134550909 1417086059 /nfs/dbraw/zinc/08/60/59/1417086059.db2.gz YYCPTMWGTPMGMW-UHFFFAOYSA-N 1 2 384.823 3.466 20 5 GGBDLO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135218277 1417189883 /nfs/dbraw/zinc/18/98/83/1417189883.db2.gz NBEMFOJIOZLDGW-IBGZPJMESA-N 1 2 384.432 3.202 20 5 GGBDLO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135218277 1417189890 /nfs/dbraw/zinc/18/98/90/1417189890.db2.gz NBEMFOJIOZLDGW-IBGZPJMESA-N 1 2 384.432 3.202 20 5 GGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCNc1cccc[nH+]1 ZINC000136200811 1417300653 /nfs/dbraw/zinc/30/06/53/1417300653.db2.gz USZAZZRMJJUWTN-LBPRGKRZSA-N 1 2 378.816 3.029 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000178798473 1429173836 /nfs/dbraw/zinc/17/38/36/1429173836.db2.gz ONUQHTLEFLHKEJ-ASHKIFAZSA-N 1 2 389.477 3.100 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000178798473 1429173841 /nfs/dbraw/zinc/17/38/41/1429173841.db2.gz ONUQHTLEFLHKEJ-ASHKIFAZSA-N 1 2 389.477 3.100 20 5 GGBDLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137036765 1417363835 /nfs/dbraw/zinc/36/38/35/1417363835.db2.gz DIJOSAQMAMAEIO-JLTOFOAXSA-N 1 2 391.418 3.285 20 5 GGBDLO Cc1cc(-c2noc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)ccc1F ZINC000137511937 1417389204 /nfs/dbraw/zinc/38/92/04/1417389204.db2.gz HIWDDYSPFMZDKP-AWEZNQCLSA-N 1 2 398.398 3.174 20 5 GGBDLO Cc1cc(-c2noc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)ccc1F ZINC000137511937 1417389209 /nfs/dbraw/zinc/38/92/09/1417389209.db2.gz HIWDDYSPFMZDKP-AWEZNQCLSA-N 1 2 398.398 3.174 20 5 GGBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCCCC2)no1 ZINC000138848899 1417439353 /nfs/dbraw/zinc/43/93/53/1417439353.db2.gz RSMQIRDQYWLGIJ-UHFFFAOYSA-N 1 2 387.440 3.372 20 5 GGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000178838489 1429190228 /nfs/dbraw/zinc/19/02/28/1429190228.db2.gz TZIZVERCLJZESA-XJKSGUPXSA-N 1 2 378.388 3.075 20 5 GGBDLO CCOC(=O)c1ccnc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000150843210 1417818469 /nfs/dbraw/zinc/81/84/69/1417818469.db2.gz OGCALENRGPGLGM-AWEZNQCLSA-N 1 2 394.378 3.160 20 5 GGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178891236 1429212446 /nfs/dbraw/zinc/21/24/46/1429212446.db2.gz CLKVKHFEDOBTJZ-KRWDZBQOSA-N 1 2 383.452 3.189 20 5 GGBDLO O=C(O[C@H]([C@@H]1CCCO1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178897417 1429214403 /nfs/dbraw/zinc/21/44/03/1429214403.db2.gz UTCWNUFPUCZOBS-UONOGXRCSA-N 1 2 385.298 3.047 20 5 GGBDLO Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000151239200 1417900008 /nfs/dbraw/zinc/90/00/08/1417900008.db2.gz WJUVFKVHCWZTHW-FQEVSTJZSA-N 1 2 392.415 3.303 20 5 GGBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000151254284 1417904851 /nfs/dbraw/zinc/90/48/51/1417904851.db2.gz QCEKJCTXGIVJGE-BDJLRTHQSA-N 1 2 398.872 3.025 20 5 GGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000151518181 1418011793 /nfs/dbraw/zinc/01/17/93/1418011793.db2.gz BFKRRQIAKIYDJJ-GFCCVEGCSA-N 1 2 377.832 3.468 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000179419566 1429367844 /nfs/dbraw/zinc/36/78/44/1429367844.db2.gz ZDKWLCCBADUYJV-GDBMZVCRSA-N 1 2 395.868 3.111 20 5 GGBDLO 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Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cn2c1 ZINC000172129746 1425908275 /nfs/dbraw/zinc/90/82/75/1425908275.db2.gz XFBFJZHCDFFFOU-UHFFFAOYSA-N 1 2 384.461 3.443 20 5 GGBDLO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172349590 1426011336 /nfs/dbraw/zinc/01/13/36/1426011336.db2.gz YOSUMVRIPGJCQY-QAPCUYQASA-N 1 2 386.452 3.352 20 5 GGBDLO Cn1c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2cc(Cl)ccc21 ZINC000172358455 1426014116 /nfs/dbraw/zinc/01/41/16/1426014116.db2.gz KKEWIIAMGZQULZ-ZDUSSCGKSA-N 1 2 386.843 3.216 20 5 GGBDLO Cn1c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2cc(Cl)ccc21 ZINC000172358455 1426014123 /nfs/dbraw/zinc/01/41/23/1426014123.db2.gz KKEWIIAMGZQULZ-ZDUSSCGKSA-N 1 2 386.843 3.216 20 5 GGBDLO CCOC(=O)c1ccnc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172361294 1426014658 /nfs/dbraw/zinc/01/46/58/1426014658.db2.gz STEIUKOIBMOGSA-RMKNXTFCSA-N 1 2 396.447 3.002 20 5 GGBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1C(=O)N(C)C ZINC000172585115 1426099592 /nfs/dbraw/zinc/09/95/92/1426099592.db2.gz PTXBAWXWOTWXTP-UHFFFAOYSA-N 1 2 393.403 3.043 20 5 GGBDLO O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172747019 1426172362 /nfs/dbraw/zinc/17/23/62/1426172362.db2.gz XNBNOYYVPQOCCQ-IBGZPJMESA-N 1 2 383.473 3.274 20 5 GGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000172824209 1426206158 /nfs/dbraw/zinc/20/61/58/1426206158.db2.gz ALRATPUAKFOYIT-HOTGVXAUSA-N 1 2 383.448 3.385 20 5 GGBDLO C[N@H+](CCOc1cccc(Cl)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172892862 1426242104 /nfs/dbraw/zinc/24/21/04/1426242104.db2.gz JZQHBXYOHAKICP-UHFFFAOYSA-N 1 2 387.827 3.475 20 5 GGBDLO C[N@@H+](CCOc1cccc(Cl)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172892862 1426242111 /nfs/dbraw/zinc/24/21/11/1426242111.db2.gz JZQHBXYOHAKICP-UHFFFAOYSA-N 1 2 387.827 3.475 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000172916482 1426261285 /nfs/dbraw/zinc/26/12/85/1426261285.db2.gz PHKACWJQLSPRTA-GOSISDBHSA-N 1 2 390.443 3.341 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000172916482 1426261292 /nfs/dbraw/zinc/26/12/92/1426261292.db2.gz PHKACWJQLSPRTA-GOSISDBHSA-N 1 2 390.443 3.341 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000173233449 1426419753 /nfs/dbraw/zinc/41/97/53/1426419753.db2.gz AMSADDWXLZSANR-UHFFFAOYSA-N 1 2 383.452 3.451 20 5 GGBDLO Cc1csc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000173399456 1426581308 /nfs/dbraw/zinc/58/13/08/1426581308.db2.gz XUMPYVBAPJUWFK-INIZCTEOSA-N 1 2 383.433 3.427 20 5 GGBDLO CCOc1ccc(NC(=O)C[NH2+][C@](C)(CC)c2nccs2)c([N+](=O)[O-])c1 ZINC000173506059 1426674754 /nfs/dbraw/zinc/67/47/54/1426674754.db2.gz YFEIIQGBXYKRAO-QGZVFWFLSA-N 1 2 378.454 3.304 20 5 GGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000173524269 1426697807 /nfs/dbraw/zinc/69/78/07/1426697807.db2.gz JJJYSYLLCMXPNG-LBPRGKRZSA-N 1 2 382.351 3.347 20 5 GGBDLO Cc1cnc([C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000173604782 1426778993 /nfs/dbraw/zinc/77/89/93/1426778993.db2.gz BOMWZQRCUPNALP-MRXNPFEDSA-N 1 2 383.433 3.427 20 5 GGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](c2ccccc2)CO1 ZINC000173673756 1426817091 /nfs/dbraw/zinc/81/70/91/1426817091.db2.gz DAIUGCHYXIWCCY-QRWLVFNGSA-N 1 2 392.415 3.383 20 5 GGBDLO Cc1cc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000173689444 1426821633 /nfs/dbraw/zinc/82/16/33/1426821633.db2.gz ZSQOTNSDHZHKCN-MRXNPFEDSA-N 1 2 398.444 3.092 20 5 GGBDLO CN(CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1[N+](=O)[O-] ZINC000173748069 1426838754 /nfs/dbraw/zinc/83/87/54/1426838754.db2.gz JIOHMMHZXJNDDZ-UHFFFAOYSA-N 1 2 389.481 3.112 20 5 GGBDLO COc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000173798020 1426853990 /nfs/dbraw/zinc/85/39/90/1426853990.db2.gz KXMDYHQESUTJAR-UHFFFAOYSA-N 1 2 385.420 3.085 20 5 GGBDLO COC(=O)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1C ZINC000173838028 1426865467 /nfs/dbraw/zinc/86/54/67/1426865467.db2.gz SFCYRAZMVWOMHW-UHFFFAOYSA-N 1 2 380.360 3.128 20 5 GGBDLO CC(C)C[C@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000174080490 1426991556 /nfs/dbraw/zinc/99/15/56/1426991556.db2.gz YVXOSCRTOQBKKN-INIZCTEOSA-N 1 2 375.469 3.290 20 5 GGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000174185431 1427038083 /nfs/dbraw/zinc/03/80/83/1427038083.db2.gz OJBVMMIHFCKKFQ-UHFFFAOYSA-N 1 2 382.464 3.368 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174189969 1427040941 /nfs/dbraw/zinc/04/09/41/1427040941.db2.gz GPJKULNNVXYTFT-LFYBBSHMSA-N 1 2 394.475 3.459 20 5 GGBDLO O=C1[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccccc1F ZINC000174242011 1427065615 /nfs/dbraw/zinc/06/56/15/1427065615.db2.gz URLXRWPPZFXPNV-FQEVSTJZSA-N 1 2 399.422 3.383 20 5 GGBDLO O=C1[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccccc1F ZINC000174242022 1427065819 /nfs/dbraw/zinc/06/58/19/1427065819.db2.gz URLXRWPPZFXPNV-HXUWFJFHSA-N 1 2 399.422 3.383 20 5 GGBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000174264400 1427075164 /nfs/dbraw/zinc/07/51/64/1427075164.db2.gz JWJWURGGSXEPIX-INIZCTEOSA-N 1 2 398.444 3.092 20 5 GGBDLO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000174325320 1427102402 /nfs/dbraw/zinc/10/24/02/1427102402.db2.gz NMZGBAIJVGXAFN-UHFFFAOYSA-N 1 2 393.465 3.116 20 5 GGBDLO CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000174438996 1427156130 /nfs/dbraw/zinc/15/61/30/1427156130.db2.gz OZEWRVRBMRLCDU-UHFFFAOYSA-N 1 2 381.367 3.016 20 5 GGBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000174540172 1427212184 /nfs/dbraw/zinc/21/21/84/1427212184.db2.gz OHGQCAWPEZMGFA-UHFFFAOYSA-N 1 2 379.800 3.033 20 5 GGBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000174540172 1427212189 /nfs/dbraw/zinc/21/21/89/1427212189.db2.gz OHGQCAWPEZMGFA-UHFFFAOYSA-N 1 2 379.800 3.033 20 5 GGBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000174626693 1427272946 /nfs/dbraw/zinc/27/29/46/1427272946.db2.gz LMGXQKIRZQRAPT-UHFFFAOYSA-N 1 2 379.800 3.033 20 5 GGBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000174626693 1427272959 /nfs/dbraw/zinc/27/29/59/1427272959.db2.gz LMGXQKIRZQRAPT-UHFFFAOYSA-N 1 2 379.800 3.033 20 5 GGBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000174672716 1427301129 /nfs/dbraw/zinc/30/11/29/1427301129.db2.gz GGDQGNWTNRTMIK-UHFFFAOYSA-N 1 2 375.400 3.073 20 5 GGBDLO O=[N+]([O-])c1cccc(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000174838742 1427397649 /nfs/dbraw/zinc/39/76/49/1427397649.db2.gz CZDQOXNVPRWPTQ-UHFFFAOYSA-N 1 2 380.404 3.068 20 5 GGBDLO COC(=O)c1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)c1 ZINC000174871980 1427420186 /nfs/dbraw/zinc/42/01/86/1427420186.db2.gz KKVNEEGCJCLNJI-UHFFFAOYSA-N 1 2 391.343 3.284 20 5 GGBDLO CCc1nsc(N2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)n1 ZINC000174882929 1427426209 /nfs/dbraw/zinc/42/62/09/1427426209.db2.gz LBXGMIXOSJYQHY-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO CCc1nsc(N2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)n1 ZINC000174882929 1427426211 /nfs/dbraw/zinc/42/62/11/1427426211.db2.gz LBXGMIXOSJYQHY-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000174912282 1427442624 /nfs/dbraw/zinc/44/26/24/1427442624.db2.gz HMYHGEBOQQHAAM-UHFFFAOYSA-N 1 2 398.463 3.134 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000175171256 1427580764 /nfs/dbraw/zinc/58/07/64/1427580764.db2.gz JKRZKWXZFOSQMP-UHFFFAOYSA-N 1 2 397.479 3.129 20 5 GGBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cc2ccccc2o1 ZINC000175180572 1427586371 /nfs/dbraw/zinc/58/63/71/1427586371.db2.gz QUYLSVACNZQLMZ-UHFFFAOYSA-N 1 2 383.360 3.140 20 5 GGBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cc2ccccc2o1 ZINC000175180572 1427586377 /nfs/dbraw/zinc/58/63/77/1427586377.db2.gz QUYLSVACNZQLMZ-UHFFFAOYSA-N 1 2 383.360 3.140 20 5 GGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)c2c1 ZINC000175251693 1427626654 /nfs/dbraw/zinc/62/66/54/1427626654.db2.gz NNTGQEABYKZXMZ-OAHLLOKOSA-N 1 2 393.465 3.489 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000175266283 1427634838 /nfs/dbraw/zinc/63/48/38/1427634838.db2.gz MQEDKGFUVJCZSW-UHFFFAOYSA-N 1 2 397.479 3.129 20 5 GGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C ZINC000175356033 1427702127 /nfs/dbraw/zinc/70/21/27/1427702127.db2.gz MOGBWOIPPVCISZ-UHFFFAOYSA-N 1 2 393.403 3.043 20 5 GGBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175415557 1427742840 /nfs/dbraw/zinc/74/28/40/1427742840.db2.gz RCQXSGKDQDXIPY-JGTBNHKDSA-N 1 2 390.461 3.392 20 5 GGBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175415557 1427742841 /nfs/dbraw/zinc/74/28/41/1427742841.db2.gz RCQXSGKDQDXIPY-JGTBNHKDSA-N 1 2 390.461 3.392 20 5 GGBDLO O=C(C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000175953920 1427994614 /nfs/dbraw/zinc/99/46/14/1427994614.db2.gz JHAALUTVESCCJX-SFHVURJKSA-N 1 2 383.448 3.257 20 5 GGBDLO O=C(C[N@H+]1CC[C@H](OCCCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000175953920 1427994619 /nfs/dbraw/zinc/99/46/19/1427994619.db2.gz JHAALUTVESCCJX-SFHVURJKSA-N 1 2 383.448 3.257 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000176157147 1428125740 /nfs/dbraw/zinc/12/57/40/1428125740.db2.gz VLKRPDWOMBSGEQ-HOTGVXAUSA-N 1 2 382.420 3.144 20 5 GGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180506610 1429885027 /nfs/dbraw/zinc/88/50/27/1429885027.db2.gz ZWCJXFBQXMQOAD-CQSZACIVSA-N 1 2 377.832 3.364 20 5 GGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180506610 1429885028 /nfs/dbraw/zinc/88/50/28/1429885028.db2.gz ZWCJXFBQXMQOAD-CQSZACIVSA-N 1 2 377.832 3.364 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000180506500 1429885045 /nfs/dbraw/zinc/88/50/45/1429885045.db2.gz YLVIQPAEKYBSCQ-MRXNPFEDSA-N 1 2 387.440 3.109 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000180506500 1429885046 /nfs/dbraw/zinc/88/50/46/1429885046.db2.gz YLVIQPAEKYBSCQ-MRXNPFEDSA-N 1 2 387.440 3.109 20 5 GGBDLO O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000180550215 1429895752 /nfs/dbraw/zinc/89/57/52/1429895752.db2.gz FTFAJNPNVZQPMZ-UHFFFAOYSA-N 1 2 377.282 3.447 20 5 GGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000181393801 1430288016 /nfs/dbraw/zinc/28/80/16/1430288016.db2.gz BKPQLGXVQLEPSS-UHFFFAOYSA-N 1 2 392.868 3.084 20 5 GGBDLO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1c(F)cccc1Cl ZINC000181730528 1430349049 /nfs/dbraw/zinc/34/90/49/1430349049.db2.gz WOPOVUPNJLISFM-VIFPVBQESA-N 1 2 395.774 3.405 20 5 GGBDLO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1c(F)cccc1Cl ZINC000181730548 1430349068 /nfs/dbraw/zinc/34/90/68/1430349068.db2.gz WOPOVUPNJLISFM-SECBINFHSA-N 1 2 395.774 3.405 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000181784146 1430359533 /nfs/dbraw/zinc/35/95/33/1430359533.db2.gz UQUPDNYNUXDZDW-UHFFFAOYSA-N 1 2 395.341 3.363 20 5 GGBDLO COc1cc2nc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC ZINC000181815244 1430366267 /nfs/dbraw/zinc/36/62/67/1430366267.db2.gz NUCGNBYSQRNWKR-GFCCVEGCSA-N 1 2 398.419 3.008 20 5 GGBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000182397913 1430459846 /nfs/dbraw/zinc/45/98/46/1430459846.db2.gz MPMMKICJZRPIRT-FZMZJTMJSA-N 1 2 380.351 3.116 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000182850917 1430553558 /nfs/dbraw/zinc/55/35/58/1430553558.db2.gz IPKKNOSKHAEQQU-GFCCVEGCSA-N 1 2 397.357 3.086 20 5 GGBDLO O=C(C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000182850917 1430553562 /nfs/dbraw/zinc/55/35/62/1430553562.db2.gz IPKKNOSKHAEQQU-GFCCVEGCSA-N 1 2 397.357 3.086 20 5 GGBDLO O=C(C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000183143506 1430627684 /nfs/dbraw/zinc/62/76/84/1430627684.db2.gz YYJGJMWOJRLKON-UHFFFAOYSA-N 1 2 397.357 3.086 20 5 GGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000183195464 1430644634 /nfs/dbraw/zinc/64/46/34/1430644634.db2.gz PUJQIMOXQOPOCT-ZDUSSCGKSA-N 1 2 392.868 3.130 20 5 GGBDLO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183222775 1430651456 /nfs/dbraw/zinc/65/14/56/1430651456.db2.gz OBXSSAAKWCCXJT-CQSZACIVSA-N 1 2 387.411 3.308 20 5 GGBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000183390115 1430698629 /nfs/dbraw/zinc/69/86/29/1430698629.db2.gz JKIGINGBYISQNR-UHFFFAOYSA-N 1 2 378.392 3.024 20 5 GGBDLO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000183557466 1430741595 /nfs/dbraw/zinc/74/15/95/1430741595.db2.gz XRGYITMMBQCHJH-AEFFLSMTSA-N 1 2 378.392 3.237 20 5 GGBDLO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000183557449 1430741649 /nfs/dbraw/zinc/74/16/49/1430741649.db2.gz XRGYITMMBQCHJH-WMZOPIPTSA-N 1 2 378.392 3.237 20 5 GGBDLO C[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183719688 1430780120 /nfs/dbraw/zinc/78/01/20/1430780120.db2.gz OZJYRVCXKZRHEF-AWEZNQCLSA-N 1 2 382.395 3.399 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000183884824 1430808919 /nfs/dbraw/zinc/80/89/19/1430808919.db2.gz JYWYWFRPPAUXBN-CQSZACIVSA-N 1 2 387.411 3.308 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000183959066 1430818735 /nfs/dbraw/zinc/81/87/35/1430818735.db2.gz VTCBIWGHYZWLRA-NSHDSACASA-N 1 2 378.454 3.220 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184173425 1430850866 /nfs/dbraw/zinc/85/08/66/1430850866.db2.gz GHACSEMZYHJLMK-MRXNPFEDSA-N 1 2 391.424 3.138 20 5 GGBDLO CC(C)COC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccco1 ZINC000184207894 1430856518 /nfs/dbraw/zinc/85/65/18/1430856518.db2.gz VJJXPAHIYGWLHA-MSOLQXFVSA-N 1 2 387.436 3.297 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)O1 ZINC000184279414 1430866957 /nfs/dbraw/zinc/86/69/57/1430866957.db2.gz PTRXLKGEBZHWQP-OKILXGFUSA-N 1 2 384.436 3.039 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)O1 ZINC000184279414 1430866960 /nfs/dbraw/zinc/86/69/60/1430866960.db2.gz PTRXLKGEBZHWQP-OKILXGFUSA-N 1 2 384.436 3.039 20 5 GGBDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000184480429 1430892411 /nfs/dbraw/zinc/89/24/11/1430892411.db2.gz MXXZRWSJMDOUFE-CQSZACIVSA-N 1 2 388.424 3.199 20 5 GGBDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000184480429 1430892412 /nfs/dbraw/zinc/89/24/12/1430892412.db2.gz MXXZRWSJMDOUFE-CQSZACIVSA-N 1 2 388.424 3.199 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184496931 1430894985 /nfs/dbraw/zinc/89/49/85/1430894985.db2.gz PTDZAQDEQANBBZ-HZPDHXFCSA-N 1 2 391.468 3.284 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184496931 1430894986 /nfs/dbraw/zinc/89/49/86/1430894986.db2.gz PTDZAQDEQANBBZ-HZPDHXFCSA-N 1 2 391.468 3.284 20 5 GGBDLO C[C@H](c1cnccn1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000184505782 1430896031 /nfs/dbraw/zinc/89/60/31/1430896031.db2.gz DRBZBEXLVUEZLB-GFCCVEGCSA-N 1 2 381.358 3.287 20 5 GGBDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000184505762 1430896080 /nfs/dbraw/zinc/89/60/80/1430896080.db2.gz DRBZBEXLVUEZLB-LBPRGKRZSA-N 1 2 381.358 3.287 20 5 GGBDLO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184512846 1430897012 /nfs/dbraw/zinc/89/70/12/1430897012.db2.gz MXTZALPNVYGDLZ-UHFFFAOYSA-N 1 2 387.461 3.410 20 5 GGBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2csc(CC)n2)c([N+](=O)[O-])c1 ZINC000184738355 1430959861 /nfs/dbraw/zinc/95/98/61/1430959861.db2.gz JWBHHXYCDUMNMO-NSHDSACASA-N 1 2 378.454 3.302 20 5 GGBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)o1 ZINC000184752573 1430965858 /nfs/dbraw/zinc/96/58/58/1430965858.db2.gz LYCLHZXWYWQVNX-NHYWBVRUSA-N 1 2 381.816 3.454 20 5 GGBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)o1 ZINC000184752588 1430966109 /nfs/dbraw/zinc/96/61/09/1430966109.db2.gz LYCLHZXWYWQVNX-IAQYHMDHSA-N 1 2 381.816 3.454 20 5 GGBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)o1 ZINC000184766600 1430970830 /nfs/dbraw/zinc/97/08/30/1430970830.db2.gz CLIIJPUQLMGHJA-IAQYHMDHSA-N 1 2 381.816 3.454 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000184822336 1430990698 /nfs/dbraw/zinc/99/06/98/1430990698.db2.gz IWHQAOWWZRPHDS-PXNSSMCTSA-N 1 2 395.459 3.427 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000184822336 1430990704 /nfs/dbraw/zinc/99/07/04/1430990704.db2.gz IWHQAOWWZRPHDS-PXNSSMCTSA-N 1 2 395.459 3.427 20 5 GGBDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000184832121 1430996014 /nfs/dbraw/zinc/99/60/14/1430996014.db2.gz QWSNFRWIUXTCAB-LRDDRELGSA-N 1 2 391.424 3.063 20 5 GGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184873705 1431008838 /nfs/dbraw/zinc/00/88/38/1431008838.db2.gz RHNUXDORYLHKHP-ZWKOTPCHSA-N 1 2 384.480 3.378 20 5 GGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184873664 1431009104 /nfs/dbraw/zinc/00/91/04/1431009104.db2.gz RHNUXDORYLHKHP-QZTJIDSGSA-N 1 2 384.480 3.378 20 5 GGBDLO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ncc(-c2ccccc2)o1 ZINC000184874282 1431009200 /nfs/dbraw/zinc/00/92/00/1431009200.db2.gz IYUMSHRFWVWWDP-AWEZNQCLSA-N 1 2 392.415 3.490 20 5 GGBDLO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184953179 1431029060 /nfs/dbraw/zinc/02/90/60/1431029060.db2.gz YCXHFVKKGJYFCM-UHFFFAOYSA-N 1 2 383.448 3.285 20 5 GGBDLO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184953179 1431029065 /nfs/dbraw/zinc/02/90/65/1431029065.db2.gz YCXHFVKKGJYFCM-UHFFFAOYSA-N 1 2 383.448 3.285 20 5 GGBDLO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000185215040 1431086496 /nfs/dbraw/zinc/08/64/96/1431086496.db2.gz VYIIHIUQZBZFPM-XJKSGUPXSA-N 1 2 390.440 3.116 20 5 GGBDLO O=C(C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185309249 1431108488 /nfs/dbraw/zinc/10/84/88/1431108488.db2.gz QBKPWLYTLZRNSF-AWEZNQCLSA-N 1 2 387.386 3.252 20 5 GGBDLO O=C(C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185309249 1431108494 /nfs/dbraw/zinc/10/84/94/1431108494.db2.gz QBKPWLYTLZRNSF-AWEZNQCLSA-N 1 2 387.386 3.252 20 5 GGBDLO O=C(C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185309234 1431108509 /nfs/dbraw/zinc/10/85/09/1431108509.db2.gz QBKPWLYTLZRNSF-CQSZACIVSA-N 1 2 387.386 3.252 20 5 GGBDLO O=C(C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185309234 1431108513 /nfs/dbraw/zinc/10/85/13/1431108513.db2.gz QBKPWLYTLZRNSF-CQSZACIVSA-N 1 2 387.386 3.252 20 5 GGBDLO COc1ccc(OCC[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000185380648 1431130792 /nfs/dbraw/zinc/13/07/92/1431130792.db2.gz GPFSNIARQIQQBY-CQSZACIVSA-N 1 2 398.419 3.307 20 5 GGBDLO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185406160 1431137770 /nfs/dbraw/zinc/13/77/70/1431137770.db2.gz LXEWSNCSEFKSLK-ORAYPTAESA-N 1 2 397.410 3.174 20 5 GGBDLO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000185410999 1431139192 /nfs/dbraw/zinc/13/91/92/1431139192.db2.gz KLBXKFSSHSZKKU-CQSZACIVSA-N 1 2 395.419 3.248 20 5 GGBDLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185447605 1431147392 /nfs/dbraw/zinc/14/73/92/1431147392.db2.gz BEWWUIOULCQAMR-YJYMSZOUSA-N 1 2 397.410 3.174 20 5 GGBDLO O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185517615 1431162901 /nfs/dbraw/zinc/16/29/01/1431162901.db2.gz PSJLEOCOAFDGPB-UHFFFAOYSA-N 1 2 389.839 3.170 20 5 GGBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c1C ZINC000185676697 1431203267 /nfs/dbraw/zinc/20/32/67/1431203267.db2.gz PFEGFHLZKHTEPA-UHFFFAOYSA-N 1 2 389.355 3.364 20 5 GGBDLO Cc1ccc2[nH+]c(CSc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)cn2c1 ZINC000185736682 1431219663 /nfs/dbraw/zinc/21/96/63/1431219663.db2.gz AECUMISSIIIMNQ-UHFFFAOYSA-N 1 2 381.417 3.090 20 5 GGBDLO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000186301308 1431376125 /nfs/dbraw/zinc/37/61/25/1431376125.db2.gz AEVVSUJWZKTKBO-ZDUSSCGKSA-N 1 2 395.506 3.389 20 5 GGBDLO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000186301308 1431376128 /nfs/dbraw/zinc/37/61/28/1431376128.db2.gz AEVVSUJWZKTKBO-ZDUSSCGKSA-N 1 2 395.506 3.389 20 5 GGBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000186426403 1431415502 /nfs/dbraw/zinc/41/55/02/1431415502.db2.gz YCPFXRXDWHGONM-HNNXBMFYSA-N 1 2 381.436 3.403 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186824852 1431529630 /nfs/dbraw/zinc/52/96/30/1431529630.db2.gz JSQQHXYVLSBQNQ-GFCCVEGCSA-N 1 2 399.900 3.173 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186824852 1431529637 /nfs/dbraw/zinc/52/96/37/1431529637.db2.gz JSQQHXYVLSBQNQ-GFCCVEGCSA-N 1 2 399.900 3.173 20 5 GGBDLO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000186869947 1431547884 /nfs/dbraw/zinc/54/78/84/1431547884.db2.gz JWUUBQQZSKJRTG-RDJZCZTQSA-N 1 2 383.448 3.426 20 5 GGBDLO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000186869947 1431547890 /nfs/dbraw/zinc/54/78/90/1431547890.db2.gz JWUUBQQZSKJRTG-RDJZCZTQSA-N 1 2 383.448 3.426 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187035369 1431596549 /nfs/dbraw/zinc/59/65/49/1431596549.db2.gz VIRUBBAWGXUCNL-HNNXBMFYSA-N 1 2 392.506 3.478 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187035369 1431596552 /nfs/dbraw/zinc/59/65/52/1431596552.db2.gz VIRUBBAWGXUCNL-HNNXBMFYSA-N 1 2 392.506 3.478 20 5 GGBDLO COC(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000188105436 1431847330 /nfs/dbraw/zinc/84/73/30/1431847330.db2.gz NYHATMAHQRFMKY-WBMJQRKESA-N 1 2 375.450 3.349 20 5 GGBDLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000188105436 1431847332 /nfs/dbraw/zinc/84/73/32/1431847332.db2.gz NYHATMAHQRFMKY-WBMJQRKESA-N 1 2 375.450 3.349 20 5 GGBDLO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000188184169 1431857944 /nfs/dbraw/zinc/85/79/44/1431857944.db2.gz PSPHYLNORKWYKC-UHFFFAOYSA-N 1 2 393.428 3.320 20 5 GGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000188618473 1431903738 /nfs/dbraw/zinc/90/37/38/1431903738.db2.gz KPBXUKBRJHZJKJ-IBGZPJMESA-N 1 2 389.402 3.496 20 5 GGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000188618473 1431903763 /nfs/dbraw/zinc/90/37/63/1431903763.db2.gz KPBXUKBRJHZJKJ-IBGZPJMESA-N 1 2 389.402 3.496 20 5 GGBDLO COc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc([N+](=O)[O-])c1C ZINC000188888051 1432003643 /nfs/dbraw/zinc/00/36/43/1432003643.db2.gz BDTNDLRSAWHHPN-UHFFFAOYSA-N 1 2 384.436 3.227 20 5 GGBDLO CCSc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000189078129 1432040777 /nfs/dbraw/zinc/04/07/77/1432040777.db2.gz MTBCOKJOBLCZDX-UHFFFAOYSA-N 1 2 383.433 3.218 20 5 GGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189143793 1432051952 /nfs/dbraw/zinc/05/19/52/1432051952.db2.gz UJEOZXGLFGJVIF-SJKOYZFVSA-N 1 2 381.860 3.466 20 5 GGBDLO CC(C)c1nnc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cn21 ZINC000189260993 1432073498 /nfs/dbraw/zinc/07/34/98/1432073498.db2.gz NAGPRCXGEPWPNS-UHFFFAOYSA-N 1 2 391.391 3.199 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)n2)cc1 ZINC000190551504 1432404926 /nfs/dbraw/zinc/40/49/26/1432404926.db2.gz ZVHLNJMTXCCQHJ-UHFFFAOYSA-N 1 2 399.382 3.222 20 5 GGBDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000191740896 1432716091 /nfs/dbraw/zinc/71/60/91/1432716091.db2.gz KYBJBBWKFWVHKT-GOSISDBHSA-N 1 2 398.492 3.019 20 5 GGBDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000191740896 1432716094 /nfs/dbraw/zinc/71/60/94/1432716094.db2.gz KYBJBBWKFWVHKT-GOSISDBHSA-N 1 2 398.492 3.019 20 5 GGBDLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000191803418 1432728939 /nfs/dbraw/zinc/72/89/39/1432728939.db2.gz FAWQJRZLGKBVHX-UHFFFAOYSA-N 1 2 377.466 3.382 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000192243650 1432821764 /nfs/dbraw/zinc/82/17/64/1432821764.db2.gz QLOLOBYQQPUWAK-UHFFFAOYSA-N 1 2 394.497 3.017 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000192244039 1432821845 /nfs/dbraw/zinc/82/18/45/1432821845.db2.gz MLMJCRBGERDIKY-UHFFFAOYSA-N 1 2 394.497 3.071 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000192244894 1432822034 /nfs/dbraw/zinc/82/20/34/1432822034.db2.gz DBGCNOSGHCHZOI-UHFFFAOYSA-N 1 2 394.497 3.071 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000192248669 1432822510 /nfs/dbraw/zinc/82/25/10/1432822510.db2.gz XSLIJYGUUONSML-UHFFFAOYSA-N 1 2 389.412 3.123 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2ccncc2)CC1 ZINC000192269266 1432825345 /nfs/dbraw/zinc/82/53/45/1432825345.db2.gz LIELUEJPYWSCEZ-UHFFFAOYSA-N 1 2 377.404 3.195 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192299837 1432829075 /nfs/dbraw/zinc/82/90/75/1432829075.db2.gz NPNQIQJTJRFLAE-AWEZNQCLSA-N 1 2 378.375 3.277 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192299837 1432829078 /nfs/dbraw/zinc/82/90/78/1432829078.db2.gz NPNQIQJTJRFLAE-AWEZNQCLSA-N 1 2 378.375 3.277 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000192575410 1432861923 /nfs/dbraw/zinc/86/19/23/1432861923.db2.gz ZRHOGNDBUZTCRF-LSDHHAIUSA-N 1 2 385.420 3.002 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000192575410 1432861926 /nfs/dbraw/zinc/86/19/26/1432861926.db2.gz ZRHOGNDBUZTCRF-LSDHHAIUSA-N 1 2 385.420 3.002 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000192733578 1432881933 /nfs/dbraw/zinc/88/19/33/1432881933.db2.gz YAMVGIFDDAXBOC-HZPDHXFCSA-N 1 2 393.875 3.257 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000192733578 1432881935 /nfs/dbraw/zinc/88/19/35/1432881935.db2.gz YAMVGIFDDAXBOC-HZPDHXFCSA-N 1 2 393.875 3.257 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000193640675 1433032515 /nfs/dbraw/zinc/03/25/15/1433032515.db2.gz WYQWEOLEANGBAX-UHFFFAOYSA-N 1 2 390.399 3.416 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000194252222 1433149328 /nfs/dbraw/zinc/14/93/28/1433149328.db2.gz OSZZOOHVLHCRMB-KRWDZBQOSA-N 1 2 396.403 3.195 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000194252236 1433149334 /nfs/dbraw/zinc/14/93/34/1433149334.db2.gz OSZZOOHVLHCRMB-QGZVFWFLSA-N 1 2 396.403 3.195 20 5 GGBDLO C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000194437051 1433177791 /nfs/dbraw/zinc/17/77/91/1433177791.db2.gz QZIUPOAMYCENCS-HNNXBMFYSA-N 1 2 379.420 3.400 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000194594165 1433202963 /nfs/dbraw/zinc/20/29/63/1433202963.db2.gz QYMHFUHSESITDO-MRXNPFEDSA-N 1 2 383.448 3.431 20 5 GGBDLO COc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000194883359 1433256752 /nfs/dbraw/zinc/25/67/52/1433256752.db2.gz UPPOGKLKMOFIPK-ZDUSSCGKSA-N 1 2 375.450 3.184 20 5 GGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N)n2)C1 ZINC000195180422 1433303602 /nfs/dbraw/zinc/30/36/02/1433303602.db2.gz SNINBRHGVKMCSZ-LLVKDONJSA-N 1 2 375.454 3.118 20 5 GGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N)n2)C1 ZINC000195180422 1433303605 /nfs/dbraw/zinc/30/36/05/1433303605.db2.gz SNINBRHGVKMCSZ-LLVKDONJSA-N 1 2 375.454 3.118 20 5 GGBDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000195442024 1433330159 /nfs/dbraw/zinc/33/01/59/1433330159.db2.gz REVPVJGGLGXJFS-UHFFFAOYSA-N 1 2 399.428 3.394 20 5 GGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000212825053 1433358791 /nfs/dbraw/zinc/35/87/91/1433358791.db2.gz HMABRQDBOYETRR-VOCYLRNQSA-N 1 2 394.475 3.253 20 5 GGBDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245448785 1433469666 /nfs/dbraw/zinc/46/96/66/1433469666.db2.gz NDJYCYBLDDAOIO-GOEBONIOSA-N 1 2 394.435 3.211 20 5 GGBDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245448785 1433469667 /nfs/dbraw/zinc/46/96/67/1433469667.db2.gz NDJYCYBLDDAOIO-GOEBONIOSA-N 1 2 394.435 3.211 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245458147 1433471994 /nfs/dbraw/zinc/47/19/94/1433471994.db2.gz CNTCJJVEIUXSBK-LOKFHWFJSA-N 1 2 389.477 3.272 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245458147 1433471995 /nfs/dbraw/zinc/47/19/95/1433471995.db2.gz CNTCJJVEIUXSBK-LOKFHWFJSA-N 1 2 389.477 3.272 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246270568 1433588277 /nfs/dbraw/zinc/58/82/77/1433588277.db2.gz MJJQCDSWXIEPTM-RBUKOAKNSA-N 1 2 399.447 3.048 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246270568 1433588279 /nfs/dbraw/zinc/58/82/79/1433588279.db2.gz MJJQCDSWXIEPTM-RBUKOAKNSA-N 1 2 399.447 3.048 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246906682 1433685473 /nfs/dbraw/zinc/68/54/73/1433685473.db2.gz MMEGAZBZZHHZMX-VBHSOAQHSA-N 1 2 381.860 3.202 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246906682 1433685476 /nfs/dbraw/zinc/68/54/76/1433685476.db2.gz MMEGAZBZZHHZMX-VBHSOAQHSA-N 1 2 381.860 3.202 20 5 GGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000247300990 1433702266 /nfs/dbraw/zinc/70/22/66/1433702266.db2.gz FBXHPHONXKWFQG-UHFFFAOYSA-N 1 2 389.481 3.478 20 5 GGBDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1c1ccccc1 ZINC000247391348 1433716144 /nfs/dbraw/zinc/71/61/44/1433716144.db2.gz GSGUSBJMLBYIKQ-CFCCAZDESA-N 1 2 394.431 3.012 20 5 GGBDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1c1ccccc1 ZINC000247391348 1433716152 /nfs/dbraw/zinc/71/61/52/1433716152.db2.gz GSGUSBJMLBYIKQ-CFCCAZDESA-N 1 2 394.431 3.012 20 5 GGBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000247662279 1433744639 /nfs/dbraw/zinc/74/46/39/1433744639.db2.gz QCEKJCTXGIVJGE-ZBEGNZNMSA-N 1 2 398.872 3.025 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247731002 1433748494 /nfs/dbraw/zinc/74/84/94/1433748494.db2.gz VDUSXKMUZHRALB-PBFPGSCMSA-N 1 2 391.859 3.355 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000248148057 1433774998 /nfs/dbraw/zinc/77/49/98/1433774998.db2.gz IJTSUAVCIHFOQD-UHFFFAOYSA-N 1 2 383.448 3.260 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000248148057 1433775003 /nfs/dbraw/zinc/77/50/03/1433775003.db2.gz IJTSUAVCIHFOQD-UHFFFAOYSA-N 1 2 383.448 3.260 20 5 GGBDLO C[C@]1(O)CC[N@@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000248343385 1433787225 /nfs/dbraw/zinc/78/72/25/1433787225.db2.gz KFXXQZUTEVMYJV-MJGOQNOKSA-N 1 2 389.839 3.385 20 5 GGBDLO C[C@]1(O)CC[N@H+]([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000248343385 1433787233 /nfs/dbraw/zinc/78/72/33/1433787233.db2.gz KFXXQZUTEVMYJV-MJGOQNOKSA-N 1 2 389.839 3.385 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000248465369 1433805058 /nfs/dbraw/zinc/80/50/58/1433805058.db2.gz RPVAPFSDPANMAK-FVJLSDCUSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000248465369 1433805059 /nfs/dbraw/zinc/80/50/59/1433805059.db2.gz RPVAPFSDPANMAK-FVJLSDCUSA-N 1 2 386.448 3.105 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248533880 1433807412 /nfs/dbraw/zinc/80/74/12/1433807412.db2.gz IWHQAOWWZRPHDS-YLJYHZDGSA-N 1 2 395.459 3.427 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248533880 1433807413 /nfs/dbraw/zinc/80/74/13/1433807413.db2.gz IWHQAOWWZRPHDS-YLJYHZDGSA-N 1 2 395.459 3.427 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249601259 1433847810 /nfs/dbraw/zinc/84/78/10/1433847810.db2.gz YHTQRDIDXJHKEF-BEVDRBHNSA-N 1 2 383.448 3.286 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249601259 1433847811 /nfs/dbraw/zinc/84/78/11/1433847811.db2.gz YHTQRDIDXJHKEF-BEVDRBHNSA-N 1 2 383.448 3.286 20 5 GGBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000255131605 1433877177 /nfs/dbraw/zinc/87/71/77/1433877177.db2.gz PDGIFMITQYHNTO-ALCCZGGFSA-N 1 2 377.448 3.074 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255296271 1433879410 /nfs/dbraw/zinc/87/94/10/1433879410.db2.gz ZTSRWVBFFASEFX-TWGQIWQCSA-N 1 2 381.432 3.387 20 5 GGBDLO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000263469952 1434008075 /nfs/dbraw/zinc/00/80/75/1434008075.db2.gz DIVOBKZPRLNGRZ-UHFFFAOYSA-N 1 2 399.447 3.272 20 5 GGBDLO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000263469952 1434008078 /nfs/dbraw/zinc/00/80/78/1434008078.db2.gz DIVOBKZPRLNGRZ-UHFFFAOYSA-N 1 2 399.447 3.272 20 5 GGBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1OCCc2ccccc21 ZINC000263658294 1434016660 /nfs/dbraw/zinc/01/66/60/1434016660.db2.gz DBARNUSFYBHTPK-GOSISDBHSA-N 1 2 380.404 3.391 20 5 GGBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1OCCc2ccccc21 ZINC000263658294 1434016663 /nfs/dbraw/zinc/01/66/63/1434016663.db2.gz DBARNUSFYBHTPK-GOSISDBHSA-N 1 2 380.404 3.391 20 5 GGBDLO O=C(c1c[nH]cn1)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000263667375 1434017996 /nfs/dbraw/zinc/01/79/96/1434017996.db2.gz KFRVRYVNSSUSGU-UHFFFAOYSA-N 1 2 397.460 3.004 20 5 GGBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263957508 1434053444 /nfs/dbraw/zinc/05/34/44/1434053444.db2.gz UEWUMSDDKCAIQM-ZDUSSCGKSA-N 1 2 383.433 3.461 20 5 GGBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264139181 1434074977 /nfs/dbraw/zinc/07/49/77/1434074977.db2.gz HIRVJVWBXADFPF-UHFFFAOYSA-N 1 2 383.452 3.212 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000264184030 1434078940 /nfs/dbraw/zinc/07/89/40/1434078940.db2.gz FGUJRZKZBHYRRN-AWEZNQCLSA-N 1 2 385.420 3.249 20 5 GGBDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264231144 1434085110 /nfs/dbraw/zinc/08/51/10/1434085110.db2.gz MCZMPQQVLFCRGU-UHFFFAOYSA-N 1 2 397.435 3.251 20 5 GGBDLO COc1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000264292038 1434093536 /nfs/dbraw/zinc/09/35/36/1434093536.db2.gz WANIKMCBGTZOCK-CQSZACIVSA-N 1 2 385.420 3.249 20 5 GGBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000264495130 1434120300 /nfs/dbraw/zinc/12/03/00/1434120300.db2.gz YCNNGXOLHVEEMD-UHFFFAOYSA-N 1 2 384.436 3.065 20 5 GGBDLO CC(C)NC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000265166387 1434192912 /nfs/dbraw/zinc/19/29/12/1434192912.db2.gz XPVSRSWWCAITHT-INIZCTEOSA-N 1 2 397.479 3.011 20 5 GGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000265244654 1434206488 /nfs/dbraw/zinc/20/64/88/1434206488.db2.gz WXHMAHZQSZZYFR-JKSUJKDBSA-N 1 2 383.452 3.139 20 5 GGBDLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000265244648 1434206574 /nfs/dbraw/zinc/20/65/74/1434206574.db2.gz WXHMAHZQSZZYFR-HOTGVXAUSA-N 1 2 383.452 3.139 20 5 GGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265344007 1434221597 /nfs/dbraw/zinc/22/15/97/1434221597.db2.gz ISVOLURUJVVAAX-GFCCVEGCSA-N 1 2 378.816 3.146 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000265978569 1434291518 /nfs/dbraw/zinc/29/15/18/1434291518.db2.gz DAWCMOQJSTWXOQ-IAGOWNOFSA-N 1 2 397.479 3.004 20 5 GGBDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccccc3[N+](=O)[O-])CCCC2)no1 ZINC000267534414 1434444187 /nfs/dbraw/zinc/44/41/87/1434444187.db2.gz UVEQYBAWWOELJL-UHFFFAOYSA-N 1 2 387.440 3.019 20 5 GGBDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000267775772 1434463432 /nfs/dbraw/zinc/46/34/32/1434463432.db2.gz LZFJENIVRRDVQO-AWEZNQCLSA-N 1 2 376.482 3.471 20 5 GGBDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000267775772 1434463434 /nfs/dbraw/zinc/46/34/34/1434463434.db2.gz LZFJENIVRRDVQO-AWEZNQCLSA-N 1 2 376.482 3.471 20 5 GGBDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000267775776 1434463512 /nfs/dbraw/zinc/46/35/12/1434463512.db2.gz LZFJENIVRRDVQO-CQSZACIVSA-N 1 2 376.482 3.471 20 5 GGBDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000267775776 1434463515 /nfs/dbraw/zinc/46/35/15/1434463515.db2.gz LZFJENIVRRDVQO-CQSZACIVSA-N 1 2 376.482 3.471 20 5 GGBDLO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000268389660 1434518167 /nfs/dbraw/zinc/51/81/67/1434518167.db2.gz YULAEEXWXDGORL-WBMJQRKESA-N 1 2 377.832 3.237 20 5 GGBDLO CCOc1cc(NC(=O)N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OCC ZINC000269181426 1434602867 /nfs/dbraw/zinc/60/28/67/1434602867.db2.gz JWKAPFKSHBMTTJ-UHFFFAOYSA-N 1 2 391.428 3.143 20 5 GGBDLO CC(C)c1[nH]nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000269335202 1434626423 /nfs/dbraw/zinc/62/64/23/1434626423.db2.gz GNNNMZCIEBRCMW-LLVKDONJSA-N 1 2 392.485 3.382 20 5 GGBDLO CC(C)c1[nH]nc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000269335202 1434626427 /nfs/dbraw/zinc/62/64/27/1434626427.db2.gz GNNNMZCIEBRCMW-LLVKDONJSA-N 1 2 392.485 3.382 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269452304 1434647793 /nfs/dbraw/zinc/64/77/93/1434647793.db2.gz LLXXWNJDIOAJJN-UHFFFAOYSA-N 1 2 376.800 3.041 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269521558 1434656001 /nfs/dbraw/zinc/65/60/01/1434656001.db2.gz ZDKIFOXAUDJPKX-UHFFFAOYSA-N 1 2 384.436 3.051 20 5 GGBDLO CC(C)C(=O)NC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000271029012 1434797029 /nfs/dbraw/zinc/79/70/29/1434797029.db2.gz BNRNZBHKVWRNDM-UHFFFAOYSA-N 1 2 388.493 3.455 20 5 GGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)C1 ZINC000272355327 1434889938 /nfs/dbraw/zinc/88/99/38/1434889938.db2.gz AUTWJFOWKIMKKY-CYBMUJFWSA-N 1 2 386.330 3.445 20 5 GGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)C1 ZINC000272355327 1434889939 /nfs/dbraw/zinc/88/99/39/1434889939.db2.gz AUTWJFOWKIMKKY-CYBMUJFWSA-N 1 2 386.330 3.445 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c2c(c1)COCO2 ZINC000272537490 1434905371 /nfs/dbraw/zinc/90/53/71/1434905371.db2.gz NHMNFZIWZJZQTI-UHFFFAOYSA-N 1 2 392.415 3.205 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c2c(c1)COCO2 ZINC000272537490 1434905374 /nfs/dbraw/zinc/90/53/74/1434905374.db2.gz NHMNFZIWZJZQTI-UHFFFAOYSA-N 1 2 392.415 3.205 20 5 GGBDLO COc1ccc(COCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272580502 1434910249 /nfs/dbraw/zinc/91/02/49/1434910249.db2.gz XXYRAGXDOIQQOH-FQEVSTJZSA-N 1 2 396.447 3.233 20 5 GGBDLO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000272586754 1434911180 /nfs/dbraw/zinc/91/11/80/1434911180.db2.gz ZEYHNLFJAGEZNN-OXJNMPFZSA-N 1 2 394.431 3.020 20 5 GGBDLO Cc1ccnc(OC2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000272886956 1434938670 /nfs/dbraw/zinc/93/86/70/1434938670.db2.gz DGSSHHPWFBECBR-UHFFFAOYSA-N 1 2 395.419 3.392 20 5 GGBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000273134792 1434965170 /nfs/dbraw/zinc/96/51/70/1434965170.db2.gz COCSYCLODXNZEX-UXHICEINSA-N 1 2 380.448 3.001 20 5 GGBDLO CCCCCC(=O)NC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000274288917 1435058266 /nfs/dbraw/zinc/05/82/66/1435058266.db2.gz QIJCYWIUCRRAMB-UHFFFAOYSA-N 1 2 381.448 3.403 20 5 GGBDLO COc1cc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c([N+](=O)[O-])cc1OC ZINC000275055617 1435113186 /nfs/dbraw/zinc/11/31/86/1435113186.db2.gz NJXDWDVBUDERGL-UHFFFAOYSA-N 1 2 390.827 3.442 20 5 GGBDLO CSCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nnc2ccccn21 ZINC000276593382 1435219355 /nfs/dbraw/zinc/21/93/55/1435219355.db2.gz QIKZDCRUADPROY-AWEZNQCLSA-N 1 2 375.429 3.361 20 5 GGBDLO COc1cc(C[NH2+][C@H](C)c2ncnn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000276672342 1435224229 /nfs/dbraw/zinc/22/42/29/1435224229.db2.gz KOGYSEBWZSCRML-CQSZACIVSA-N 1 2 397.435 3.162 20 5 GGBDLO CCOc1cc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000276907523 1435241819 /nfs/dbraw/zinc/24/18/19/1435241819.db2.gz MTULDMZNKYKSIK-UHFFFAOYSA-N 1 2 389.477 3.403 20 5 GGBDLO CCOc1cc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000276907523 1435241822 /nfs/dbraw/zinc/24/18/22/1435241822.db2.gz MTULDMZNKYKSIK-UHFFFAOYSA-N 1 2 389.477 3.403 20 5 GGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278179135 1435367001 /nfs/dbraw/zinc/36/70/01/1435367001.db2.gz CZJFZOWPODMKNF-LBPRGKRZSA-N 1 2 381.358 3.287 20 5 GGBDLO CCc1[nH]nc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1[N+](=O)[O-] ZINC000278241559 1435372714 /nfs/dbraw/zinc/37/27/14/1435372714.db2.gz WIELZZIJIMGMHH-UHFFFAOYSA-N 1 2 380.408 3.332 20 5 GGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278892573 1435436577 /nfs/dbraw/zinc/43/65/77/1435436577.db2.gz FCRAOKYOVHVQPO-UHFFFAOYSA-N 1 2 382.464 3.466 20 5 GGBDLO Cc1cccnc1OC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000279207090 1435471545 /nfs/dbraw/zinc/47/15/45/1435471545.db2.gz GPMUGFQFSRAMCB-UHFFFAOYSA-N 1 2 395.419 3.392 20 5 GGBDLO C[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000279360070 1435491107 /nfs/dbraw/zinc/49/11/07/1435491107.db2.gz SPPOLRTYYVVPCD-MEDUHNTESA-N 1 2 380.807 3.236 20 5 GGBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279611853 1435518788 /nfs/dbraw/zinc/51/87/88/1435518788.db2.gz XBQCCXQLVJHVIQ-UHFFFAOYSA-N 1 2 397.479 3.259 20 5 GGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)C1 ZINC000280255464 1435619736 /nfs/dbraw/zinc/61/97/36/1435619736.db2.gz JFVGIOGAQRWIQR-QGZVFWFLSA-N 1 2 387.440 3.027 20 5 GGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)C1 ZINC000280255464 1435619740 /nfs/dbraw/zinc/61/97/40/1435619740.db2.gz JFVGIOGAQRWIQR-QGZVFWFLSA-N 1 2 387.440 3.027 20 5 GGBDLO C[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC2(CCOCC2)O1 ZINC000280467677 1435665666 /nfs/dbraw/zinc/66/56/66/1435665666.db2.gz MVDMLAANUQAOQR-AWEZNQCLSA-N 1 2 389.477 3.488 20 5 GGBDLO C[C@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC2(CCOCC2)O1 ZINC000280467677 1435665674 /nfs/dbraw/zinc/66/56/74/1435665674.db2.gz MVDMLAANUQAOQR-AWEZNQCLSA-N 1 2 389.477 3.488 20 5 GGBDLO CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000281302530 1435803094 /nfs/dbraw/zinc/80/30/94/1435803094.db2.gz AUDJVBNFGSGRJS-QGZVFWFLSA-N 1 2 394.435 3.364 20 5 GGBDLO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000282037014 1435832036 /nfs/dbraw/zinc/83/20/36/1435832036.db2.gz LSELJNMUDSJFER-PYQAKABTSA-N 1 2 398.463 3.182 20 5 GGBDLO Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000283017793 1435870585 /nfs/dbraw/zinc/87/05/85/1435870585.db2.gz LXZWUGFGJJWLAM-PMACEKPBSA-N 1 2 380.448 3.358 20 5 GGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000283671877 1435900815 /nfs/dbraw/zinc/90/08/15/1435900815.db2.gz GHKSLNKLTXXLTO-SJORKVTESA-N 1 2 392.419 3.199 20 5 GGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000283671877 1435900816 /nfs/dbraw/zinc/90/08/16/1435900816.db2.gz GHKSLNKLTXXLTO-SJORKVTESA-N 1 2 392.419 3.199 20 5 GGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CCOCC2)CC1 ZINC000284647159 1436036938 /nfs/dbraw/zinc/03/69/38/1436036938.db2.gz DYRGVIQYKJNILD-CYBMUJFWSA-N 1 2 381.860 3.468 20 5 GGBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001164916446 721814508 /nfs/dbraw/zinc/81/45/08/721814508.db2.gz DPDCXZLPQUATPW-UHFFFAOYSA-N 1 2 392.463 3.089 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826293746 947852690 /nfs/dbraw/zinc/85/26/90/947852690.db2.gz ZVASQXNOTAVQMY-LIRRHRJNSA-N 1 2 394.435 3.218 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826293746 947852698 /nfs/dbraw/zinc/85/26/98/947852698.db2.gz ZVASQXNOTAVQMY-LIRRHRJNSA-N 1 2 394.435 3.218 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)nc1 ZINC000013985258 221294778 /nfs/dbraw/zinc/29/47/78/221294778.db2.gz BCALSMDSUWDNNC-UHFFFAOYSA-N 1 2 383.271 3.136 20 5 GGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000014306765 221308524 /nfs/dbraw/zinc/30/85/24/221308524.db2.gz HDQPPXYBSMSJCQ-UHFFFAOYSA-N 1 2 382.342 3.457 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000052807628 222008090 /nfs/dbraw/zinc/00/80/90/222008090.db2.gz QTGCFXFGBNDIDX-FQEVSTJZSA-N 1 2 383.448 3.287 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000117745011 564231214 /nfs/dbraw/zinc/23/12/14/564231214.db2.gz VRIRICHQVFOQLA-UHFFFAOYSA-N 1 2 379.869 3.197 20 5 GGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Br)o1 ZINC000030214754 564378028 /nfs/dbraw/zinc/37/80/28/564378028.db2.gz UYMBYOIGOBAJOF-JTQLQIEISA-N 1 2 382.214 3.409 20 5 GGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214754 564378032 /nfs/dbraw/zinc/37/80/32/564378032.db2.gz UYMBYOIGOBAJOF-JTQLQIEISA-N 1 2 382.214 3.409 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Br)o1 ZINC000030214773 564378212 /nfs/dbraw/zinc/37/82/12/564378212.db2.gz ZFJZWZPTEIOJFQ-SNVBAGLBSA-N 1 2 382.214 3.409 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214773 564378218 /nfs/dbraw/zinc/37/82/18/564378218.db2.gz ZFJZWZPTEIOJFQ-SNVBAGLBSA-N 1 2 382.214 3.409 20 5 GGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030540944 564382082 /nfs/dbraw/zinc/38/20/82/564382082.db2.gz JLLBDTBHMFLQKF-UHFFFAOYSA-N 1 2 377.491 3.093 20 5 GGBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])cc3Br)cn21 ZINC000121915666 564392529 /nfs/dbraw/zinc/39/25/29/564392529.db2.gz JGUYKYQAFKGUSO-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO Cc1cc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000122520244 564417095 /nfs/dbraw/zinc/41/70/95/564417095.db2.gz XESRFDAMXIYVIL-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000123546083 564452944 /nfs/dbraw/zinc/45/29/44/564452944.db2.gz QBCRLHHHEIZNNP-UHFFFAOYSA-N 1 2 384.274 3.048 20 5 GGBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000123546083 564452947 /nfs/dbraw/zinc/45/29/47/564452947.db2.gz QBCRLHHHEIZNNP-UHFFFAOYSA-N 1 2 384.274 3.048 20 5 GGBDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000053143130 564582103 /nfs/dbraw/zinc/58/21/03/564582103.db2.gz OIHPEZKOFOHHNO-UHFFFAOYSA-N 1 2 399.270 3.193 20 5 GGBDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000053143130 564582106 /nfs/dbraw/zinc/58/21/06/564582106.db2.gz OIHPEZKOFOHHNO-UHFFFAOYSA-N 1 2 399.270 3.193 20 5 GGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2sccc2Br)CC1 ZINC000063739856 564721752 /nfs/dbraw/zinc/72/17/52/564721752.db2.gz UPEXAKBHIRLVRQ-UHFFFAOYSA-N 1 2 383.271 3.136 20 5 GGBDLO C[N@H+](Cc1ccc(Br)o1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067376999 564790205 /nfs/dbraw/zinc/79/02/05/564790205.db2.gz FSSSNDBJLWKANS-CQSZACIVSA-N 1 2 394.225 3.188 20 5 GGBDLO C[N@@H+](Cc1ccc(Br)o1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067376999 564790207 /nfs/dbraw/zinc/79/02/07/564790207.db2.gz FSSSNDBJLWKANS-CQSZACIVSA-N 1 2 394.225 3.188 20 5 GGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000068302224 564813800 /nfs/dbraw/zinc/81/38/00/564813800.db2.gz KZMWVXOUIPLVOX-UHFFFAOYSA-N 1 2 376.722 3.279 20 5 GGBDLO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000135431527 564830871 /nfs/dbraw/zinc/83/08/71/564830871.db2.gz AGQOPJTWIPBAOM-LLVKDONJSA-N 1 2 388.287 3.123 20 5 GGBDLO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000135431527 564830874 /nfs/dbraw/zinc/83/08/74/564830874.db2.gz AGQOPJTWIPBAOM-LLVKDONJSA-N 1 2 388.287 3.123 20 5 GGBDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000092706134 564880457 /nfs/dbraw/zinc/88/04/57/564880457.db2.gz MHXMBNNPTCKHGG-CQSZACIVSA-N 1 2 398.301 3.342 20 5 GGBDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000092706134 564880462 /nfs/dbraw/zinc/88/04/62/564880462.db2.gz MHXMBNNPTCKHGG-CQSZACIVSA-N 1 2 398.301 3.342 20 5 GGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000152450881 564959678 /nfs/dbraw/zinc/95/96/78/564959678.db2.gz WXCNSJLWUZMHIL-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO Cc1ncc(C[NH+]2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)s1 ZINC000110555887 565041892 /nfs/dbraw/zinc/04/18/92/565041892.db2.gz YLIRWTOJCUYAQY-UHFFFAOYSA-N 1 2 397.298 3.444 20 5 GGBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291835684 565080517 /nfs/dbraw/zinc/08/05/17/565080517.db2.gz SVKOCVSWIQNETM-NSHDSACASA-N 1 2 381.219 3.305 20 5 GGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000369361351 565089303 /nfs/dbraw/zinc/08/93/03/565089303.db2.gz CJWQLXPLKZEHMI-UHFFFAOYSA-N 1 2 393.241 3.162 20 5 GGBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266901368 565095223 /nfs/dbraw/zinc/09/52/23/565095223.db2.gz IMOBZLYZDPSJEO-LLVKDONJSA-N 1 2 383.857 3.089 20 5 GGBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266901368 565095228 /nfs/dbraw/zinc/09/52/28/565095228.db2.gz IMOBZLYZDPSJEO-LLVKDONJSA-N 1 2 383.857 3.089 20 5 GGBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCC3)c2)c(Br)c1 ZINC000267189965 565109062 /nfs/dbraw/zinc/10/90/62/565109062.db2.gz DBYPIIYWMUPXDS-UHFFFAOYSA-N 1 2 378.230 3.360 20 5 GGBDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292935836 565142013 /nfs/dbraw/zinc/14/20/13/565142013.db2.gz ZMQOMXMFJRCKEI-UHFFFAOYSA-N 1 2 382.404 3.259 20 5 GGBDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292935836 565142017 /nfs/dbraw/zinc/14/20/17/565142017.db2.gz ZMQOMXMFJRCKEI-UHFFFAOYSA-N 1 2 382.404 3.259 20 5 GGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000371055304 565175521 /nfs/dbraw/zinc/17/55/21/565175521.db2.gz QRJPJRRXBZSMJT-JTQLQIEISA-N 1 2 394.229 3.112 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000159832714 565220433 /nfs/dbraw/zinc/22/04/33/565220433.db2.gz 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CN(C)C(=O)CC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000272842941 565299886 /nfs/dbraw/zinc/29/98/86/565299886.db2.gz ITLURUHVTASOFG-UHFFFAOYSA-N 1 2 384.274 3.048 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3sccc3Br)CC2)cn1 ZINC000164713940 565363012 /nfs/dbraw/zinc/36/30/12/565363012.db2.gz BQGFQWNNIVAEPC-UHFFFAOYSA-N 1 2 383.271 3.136 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000375658391 565400028 /nfs/dbraw/zinc/40/00/28/565400028.db2.gz QQQQXTMIAHFOGJ-AWEZNQCLSA-N 1 2 381.230 3.030 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(Br)c1 ZINC000301414905 565485110 /nfs/dbraw/zinc/48/51/10/565485110.db2.gz QNQCZXDRTRBJPT-UHFFFAOYSA-N 1 2 392.253 3.385 20 5 GGBDLO C[C@@H]1C[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301524259 565492165 /nfs/dbraw/zinc/49/21/65/565492165.db2.gz IFUHNRXLLQEQID-PHIMTYICSA-N 1 2 387.278 3.052 20 5 GGBDLO C[C@@H]1C[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301524259 565492169 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O=[N+]([O-])c1cncc(Br)c1NCC[N@H+]1CCc2sccc2C1 ZINC000301897241 565516311 /nfs/dbraw/zinc/51/63/11/565516311.db2.gz RAOVPUWPUIBYPX-UHFFFAOYSA-N 1 2 383.271 3.284 20 5 GGBDLO O=[N+]([O-])c1cncc(Br)c1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000301902850 565517981 /nfs/dbraw/zinc/51/79/81/565517981.db2.gz WUWMFWUDDXOVCX-UHFFFAOYSA-N 1 2 399.289 3.199 20 5 GGBDLO Cc1c(Br)c(N2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000310406025 565578319 /nfs/dbraw/zinc/57/83/19/565578319.db2.gz VSNQPMWNSQTWTI-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cs1 ZINC000191302928 565594859 /nfs/dbraw/zinc/59/48/59/565594859.db2.gz SBLUWBUTSHUSCS-UHFFFAOYSA-N 1 2 393.416 3.239 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cs1 ZINC000191302928 565594864 /nfs/dbraw/zinc/59/48/64/565594864.db2.gz SBLUWBUTSHUSCS-UHFFFAOYSA-N 1 2 393.416 3.239 20 5 GGBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000174608845 565646593 /nfs/dbraw/zinc/64/65/93/565646593.db2.gz NIQPDCRUJNVDFT-UHFFFAOYSA-N 1 2 386.227 3.170 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000280469955 565673844 /nfs/dbraw/zinc/67/38/44/565673844.db2.gz MYHGUIVVDRBSSC-GFCCVEGCSA-N 1 2 385.258 3.127 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000280469955 565673848 /nfs/dbraw/zinc/67/38/48/565673848.db2.gz MYHGUIVVDRBSSC-GFCCVEGCSA-N 1 2 385.258 3.127 20 5 GGBDLO O=C(NCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)C(F)(F)F ZINC000281321979 565723576 /nfs/dbraw/zinc/72/35/76/565723576.db2.gz RIQKDSMVRONRJB-UHFFFAOYSA-N 1 2 379.766 3.139 20 5 GGBDLO O=C(NCC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000281413827 565730215 /nfs/dbraw/zinc/73/02/15/565730215.db2.gz YKXJVEMSVFSKQA-UHFFFAOYSA-N 1 2 379.766 3.139 20 5 GGBDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000282722538 565793928 /nfs/dbraw/zinc/79/39/28/565793928.db2.gz LQGRWKUABOWVKF-CYBMUJFWSA-N 1 2 384.841 3.127 20 5 GGBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000282722538 565793932 /nfs/dbraw/zinc/79/39/32/565793932.db2.gz LQGRWKUABOWVKF-CYBMUJFWSA-N 1 2 384.841 3.127 20 5 GGBDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000332008991 565799230 /nfs/dbraw/zinc/79/92/30/565799230.db2.gz QJOVGHFOSVUFLZ-ZJUUUORDSA-N 1 2 388.287 3.118 20 5 GGBDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000332008991 565799235 /nfs/dbraw/zinc/79/92/35/565799235.db2.gz QJOVGHFOSVUFLZ-ZJUUUORDSA-N 1 2 388.287 3.118 20 5 GGBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])cn21 ZINC000177277920 565840595 /nfs/dbraw/zinc/84/05/95/565840595.db2.gz XRHMIGHRPXEYHK-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000332485248 565840605 /nfs/dbraw/zinc/84/06/05/565840605.db2.gz ZURAEHKRAKVNDM-UHFFFAOYSA-N 1 2 381.230 3.097 20 5 GGBDLO Cc1cccn2cc(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])[nH+]c12 ZINC000177271696 565840713 /nfs/dbraw/zinc/84/07/13/565840713.db2.gz GEGTUCKYWRUPKI-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO COc1cc(C[NH2+]Cc2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000195422155 565881608 /nfs/dbraw/zinc/88/16/08/565881608.db2.gz XKBDABMROXOKNT-UHFFFAOYSA-N 1 2 377.344 3.291 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000285368655 565903336 /nfs/dbraw/zinc/90/33/36/565903336.db2.gz SZHAEOQJONPNCO-UHFFFAOYSA-N 1 2 381.230 3.025 20 5 GGBDLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000414467505 565939014 /nfs/dbraw/zinc/93/90/14/565939014.db2.gz IKYXPULIPDPICL-AWEZNQCLSA-N 1 2 380.491 3.439 20 5 GGBDLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000414467505 565939017 /nfs/dbraw/zinc/93/90/17/565939017.db2.gz IKYXPULIPDPICL-AWEZNQCLSA-N 1 2 380.491 3.439 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000286164974 565946091 /nfs/dbraw/zinc/94/60/91/565946091.db2.gz YDZYKSROZRJOFM-LLVKDONJSA-N 1 2 388.808 3.026 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1Br ZINC000286564833 565968449 /nfs/dbraw/zinc/96/84/49/565968449.db2.gz PGDFZAXPESUERJ-WDEREUQCSA-N 1 2 397.191 3.350 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1Br ZINC000286564833 565968453 /nfs/dbraw/zinc/96/84/53/565968453.db2.gz PGDFZAXPESUERJ-WDEREUQCSA-N 1 2 397.191 3.350 20 5 GGBDLO CC[NH+](CC)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000179576278 565990115 /nfs/dbraw/zinc/99/01/15/565990115.db2.gz NJIYQGIECVORPY-GFCCVEGCSA-N 1 2 387.483 3.148 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000364021245 566030995 /nfs/dbraw/zinc/03/09/95/566030995.db2.gz IJRGTOOQICRGEM-GFCCVEGCSA-N 1 2 393.241 3.029 20 5 GGBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000180554717 566072258 /nfs/dbraw/zinc/07/22/58/566072258.db2.gz HTBUMDNIADJTOR-GFCCVEGCSA-N 1 2 379.214 3.448 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000365466284 566102881 /nfs/dbraw/zinc/10/28/81/566102881.db2.gz YHVHYXQWWLRJNX-LLVKDONJSA-N 1 2 393.241 3.111 20 5 GGBDLO Cc1c(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181066101 566109957 /nfs/dbraw/zinc/10/99/57/566109957.db2.gz XWAHSPPLKJOYNS-MRXNPFEDSA-N 1 2 392.253 3.324 20 5 GGBDLO Cc1c(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181066101 566109960 /nfs/dbraw/zinc/10/99/60/566109960.db2.gz XWAHSPPLKJOYNS-MRXNPFEDSA-N 1 2 392.253 3.324 20 5 GGBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000289391423 566119735 /nfs/dbraw/zinc/11/97/35/566119735.db2.gz DMKWXOJRLPUZRQ-SNVBAGLBSA-N 1 2 379.766 3.139 20 5 GGBDLO O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000289391423 566119739 /nfs/dbraw/zinc/11/97/39/566119739.db2.gz DMKWXOJRLPUZRQ-SNVBAGLBSA-N 1 2 379.766 3.139 20 5 GGBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000181860507 566169250 /nfs/dbraw/zinc/16/92/50/566169250.db2.gz KFNSLKSEIBBIAZ-GFCCVEGCSA-N 1 2 383.495 3.135 20 5 GGBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000181860507 566169255 /nfs/dbraw/zinc/16/92/55/566169255.db2.gz KFNSLKSEIBBIAZ-GFCCVEGCSA-N 1 2 383.495 3.135 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265765563 566241326 /nfs/dbraw/zinc/24/13/26/566241326.db2.gz HGMDHYIQNHLHAK-UHFFFAOYSA-N 1 2 379.214 3.100 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000481872096 566259170 /nfs/dbraw/zinc/25/91/70/566259170.db2.gz UCULSHQVBPGXDP-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000599661926 566284794 /nfs/dbraw/zinc/28/47/94/566284794.db2.gz HAPVVQCFHCHNHS-SMDDNHRTSA-N 1 2 393.241 3.277 20 5 GGBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000599848556 566300063 /nfs/dbraw/zinc/30/00/63/566300063.db2.gz FKLOVLXDJHRAIF-GFCCVEGCSA-N 1 2 392.209 3.046 20 5 GGBDLO C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000509493397 566311302 /nfs/dbraw/zinc/31/13/02/566311302.db2.gz PSIIWKZKLVGXJQ-GFCCVEGCSA-N 1 2 392.253 3.138 20 5 GGBDLO C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000509493397 566311309 /nfs/dbraw/zinc/31/13/09/566311309.db2.gz PSIIWKZKLVGXJQ-GFCCVEGCSA-N 1 2 392.253 3.138 20 5 GGBDLO Cc1c(Br)cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000509667163 566326349 /nfs/dbraw/zinc/32/63/49/566326349.db2.gz YWFZGGLQSJHCLY-UHFFFAOYSA-N 1 2 393.241 3.057 20 5 GGBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Br)cn1 ZINC000482976392 566346893 /nfs/dbraw/zinc/34/68/93/566346893.db2.gz HRHBCCAFJUVNAL-SECBINFHSA-N 1 2 376.214 3.479 20 5 GGBDLO C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000446739234 566363897 /nfs/dbraw/zinc/36/38/97/566363897.db2.gz RVAMZNCKHQHOCL-MFKMUULPSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000446739234 566363904 /nfs/dbraw/zinc/36/39/04/566363904.db2.gz RVAMZNCKHQHOCL-MFKMUULPSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000446739232 566364757 /nfs/dbraw/zinc/36/47/57/566364757.db2.gz RVAMZNCKHQHOCL-GWCFXTLKSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000446739232 566364762 /nfs/dbraw/zinc/36/47/62/566364762.db2.gz RVAMZNCKHQHOCL-GWCFXTLKSA-N 1 2 385.251 3.078 20 5 GGBDLO Cc1cc(Br)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536638642 566388642 /nfs/dbraw/zinc/38/86/42/566388642.db2.gz SSXALIVIBKTATD-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO CC(C)C(=O)NC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602440008 566471381 /nfs/dbraw/zinc/47/13/81/566471381.db2.gz MTXNWRSVVYVYNM-UHFFFAOYSA-N 1 2 390.303 3.155 20 5 GGBDLO Cc1noc(C2CC[NH+](Cc3cc(Br)c([N+](=O)[O-])s3)CC2)n1 ZINC000602444587 566472516 /nfs/dbraw/zinc/47/25/16/566472516.db2.gz INFNQPHMPVKPLF-UHFFFAOYSA-N 1 2 387.259 3.490 20 5 GGBDLO CO[C@@]1(C)CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577905097 566474600 /nfs/dbraw/zinc/47/46/00/566474600.db2.gz LRJJGSYRLGLCMO-AWEZNQCLSA-N 1 2 390.221 3.200 20 5 GGBDLO CO[C@@]1(C)CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577905097 566474604 /nfs/dbraw/zinc/47/46/04/566474604.db2.gz LRJJGSYRLGLCMO-AWEZNQCLSA-N 1 2 390.221 3.200 20 5 GGBDLO CCc1nn(C)c(OC)c1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602582708 566480106 /nfs/dbraw/zinc/48/01/06/566480106.db2.gz SQXATNLLDBGFMK-UHFFFAOYSA-N 1 2 389.275 3.013 20 5 GGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3cccs3)CC2)c(Br)c1 ZINC000485206636 566482539 /nfs/dbraw/zinc/48/25/39/566482539.db2.gz MRHZLFSJBJCFGR-UHFFFAOYSA-N 1 2 397.298 3.179 20 5 GGBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602651670 566483336 /nfs/dbraw/zinc/48/33/36/566483336.db2.gz KLQVCYBJTMHLKV-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602651670 566483339 /nfs/dbraw/zinc/48/33/39/566483339.db2.gz KLQVCYBJTMHLKV-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638345 566483489 /nfs/dbraw/zinc/48/34/89/566483489.db2.gz QAVORUFGTRKKPH-UHFFFAOYSA-N 1 2 390.303 3.157 20 5 GGBDLO C[N@H+](CCCNC(=O)C1CCC1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638345 566483488 /nfs/dbraw/zinc/48/34/88/566483488.db2.gz QAVORUFGTRKKPH-UHFFFAOYSA-N 1 2 390.303 3.157 20 5 GGBDLO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602664291 566485146 /nfs/dbraw/zinc/48/51/46/566485146.db2.gz ZFYUCZVPEDYYHO-LLVKDONJSA-N 1 2 390.303 3.157 20 5 GGBDLO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602664291 566485149 /nfs/dbraw/zinc/48/51/49/566485149.db2.gz ZFYUCZVPEDYYHO-LLVKDONJSA-N 1 2 390.303 3.157 20 5 GGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000602826306 566494992 /nfs/dbraw/zinc/49/49/92/566494992.db2.gz LKTPANHCWPUOHD-AWEZNQCLSA-N 1 2 380.246 3.094 20 5 GGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000602826306 566495002 /nfs/dbraw/zinc/49/50/02/566495002.db2.gz LKTPANHCWPUOHD-AWEZNQCLSA-N 1 2 380.246 3.094 20 5 GGBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559107688 566526317 /nfs/dbraw/zinc/52/63/17/566526317.db2.gz QZHVQPSJMVZQHD-GFCCVEGCSA-N 1 2 378.372 3.094 20 5 GGBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559107688 566526324 /nfs/dbraw/zinc/52/63/24/566526324.db2.gz QZHVQPSJMVZQHD-GFCCVEGCSA-N 1 2 378.372 3.094 20 5 GGBDLO Cn1c2cc(Br)ccc2[nH+]c1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000486052311 566552986 /nfs/dbraw/zinc/55/29/86/566552986.db2.gz JWVAKTCJMVQQTD-UHFFFAOYSA-N 1 2 397.616 3.107 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512841052 566562531 /nfs/dbraw/zinc/56/25/31/566562531.db2.gz QBCCCFGUYNRHSG-UWVGGRQHSA-N 1 2 377.775 3.136 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512841052 566562538 /nfs/dbraw/zinc/56/25/38/566562538.db2.gz QBCCCFGUYNRHSG-UWVGGRQHSA-N 1 2 377.775 3.136 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512841051 566562552 /nfs/dbraw/zinc/56/25/52/566562552.db2.gz QBCCCFGUYNRHSG-NXEZZACHSA-N 1 2 377.775 3.136 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512841051 566562555 /nfs/dbraw/zinc/56/25/55/566562555.db2.gz QBCCCFGUYNRHSG-NXEZZACHSA-N 1 2 377.775 3.136 20 5 GGBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2c(Cl)cccc2Cl)C2CC2)c1 ZINC000513233189 566591119 /nfs/dbraw/zinc/59/11/19/566591119.db2.gz VIZPYCVPECODAK-CYBMUJFWSA-N 1 2 385.251 3.124 20 5 GGBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2c(Cl)cccc2Cl)C2CC2)c1 ZINC000513233189 566591122 /nfs/dbraw/zinc/59/11/22/566591122.db2.gz VIZPYCVPECODAK-CYBMUJFWSA-N 1 2 385.251 3.124 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000425399398 566637044 /nfs/dbraw/zinc/63/70/44/566637044.db2.gz DRFXBACUNZYKCA-PWSUYJOCSA-N 1 2 383.164 3.245 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000425399398 566637049 /nfs/dbraw/zinc/63/70/49/566637049.db2.gz DRFXBACUNZYKCA-PWSUYJOCSA-N 1 2 383.164 3.245 20 5 GGBDLO CCCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425382422 566637384 /nfs/dbraw/zinc/63/73/84/566637384.db2.gz IOCZIMXWHJDOAE-UHFFFAOYSA-N 1 2 398.301 3.486 20 5 GGBDLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000425419872 566641175 /nfs/dbraw/zinc/64/11/75/566641175.db2.gz ODPPKONUTFCHBN-HZPDHXFCSA-N 1 2 399.285 3.109 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000425416781 566641582 /nfs/dbraw/zinc/64/15/82/566641582.db2.gz LWJBAVFBNPTZSF-KRWDZBQOSA-N 1 2 377.238 3.449 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000425416781 566641599 /nfs/dbraw/zinc/64/15/99/566641599.db2.gz LWJBAVFBNPTZSF-KRWDZBQOSA-N 1 2 377.238 3.449 20 5 GGBDLO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000425419870 566642201 /nfs/dbraw/zinc/64/22/01/566642201.db2.gz ODPPKONUTFCHBN-HOTGVXAUSA-N 1 2 399.285 3.109 20 5 GGBDLO COCC[N@H+](Cc1cccnc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438299 566643965 /nfs/dbraw/zinc/64/39/65/566643965.db2.gz CTPKWACJEAUQRG-UHFFFAOYSA-N 1 2 380.242 3.401 20 5 GGBDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438299 566643970 /nfs/dbraw/zinc/64/39/70/566643970.db2.gz CTPKWACJEAUQRG-UHFFFAOYSA-N 1 2 380.242 3.401 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000425463626 566646760 /nfs/dbraw/zinc/64/67/60/566646760.db2.gz YGVBSSDRPIVHED-JQWIXIFHSA-N 1 2 397.191 3.350 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000425463626 566646765 /nfs/dbraw/zinc/64/67/65/566646765.db2.gz YGVBSSDRPIVHED-JQWIXIFHSA-N 1 2 397.191 3.350 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000425463630 566647411 /nfs/dbraw/zinc/64/74/11/566647411.db2.gz YGVBSSDRPIVHED-ZYHUDNBSSA-N 1 2 397.191 3.350 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000425463630 566647417 /nfs/dbraw/zinc/64/74/17/566647417.db2.gz YGVBSSDRPIVHED-ZYHUDNBSSA-N 1 2 397.191 3.350 20 5 GGBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000561123671 566677925 /nfs/dbraw/zinc/67/79/25/566677925.db2.gz RHSCAMZJUJWITI-SNVBAGLBSA-N 1 2 385.243 3.033 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000581939820 566817296 /nfs/dbraw/zinc/81/72/96/566817296.db2.gz KIMNTOPEDFRVDK-UHFFFAOYSA-N 1 2 385.258 3.129 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000581939820 566817301 /nfs/dbraw/zinc/81/73/01/566817301.db2.gz KIMNTOPEDFRVDK-UHFFFAOYSA-N 1 2 385.258 3.129 20 5 GGBDLO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000469843985 566820718 /nfs/dbraw/zinc/82/07/18/566820718.db2.gz UGNMBRVVIDMIIR-AWEZNQCLSA-N 1 2 377.491 3.004 20 5 GGBDLO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000469843985 566820727 /nfs/dbraw/zinc/82/07/27/566820727.db2.gz UGNMBRVVIDMIIR-AWEZNQCLSA-N 1 2 377.491 3.004 20 5 GGBDLO O=[N+]([O-])c1cc(I)ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610276347 566821829 /nfs/dbraw/zinc/82/18/29/566821829.db2.gz ONMCLJHMYZTPLD-GFCCVEGCSA-N 1 2 398.204 3.237 20 5 GGBDLO O=[N+]([O-])c1cc(I)ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610276348 566822260 /nfs/dbraw/zinc/82/22/60/566822260.db2.gz ONMCLJHMYZTPLD-LBPRGKRZSA-N 1 2 398.204 3.237 20 5 GGBDLO Cn1cc(Br)c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451553663 566838263 /nfs/dbraw/zinc/83/82/63/566838263.db2.gz YJCMXGQBYONDGC-ZDUSSCGKSA-N 1 2 379.258 3.470 20 5 GGBDLO Cn1cc(Br)c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451553663 566838267 /nfs/dbraw/zinc/83/82/67/566838267.db2.gz YJCMXGQBYONDGC-ZDUSSCGKSA-N 1 2 379.258 3.470 20 5 GGBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610572002 566843740 /nfs/dbraw/zinc/84/37/40/566843740.db2.gz YUGKBONWKLPEKA-UHFFFAOYSA-N 1 2 390.237 3.103 20 5 GGBDLO CS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000611274016 566906492 /nfs/dbraw/zinc/90/64/92/566906492.db2.gz XLIZMNJETLIVMP-UHFFFAOYSA-N 1 2 380.491 3.332 20 5 GGBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000451967040 566917181 /nfs/dbraw/zinc/91/71/81/566917181.db2.gz GKQNTKWSNGJLFV-JTQLQIEISA-N 1 2 396.296 3.006 20 5 GGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429480871 566933144 /nfs/dbraw/zinc/93/31/44/566933144.db2.gz LVDCATAFEAYWLA-UHFFFAOYSA-N 1 2 393.241 3.162 20 5 GGBDLO Cc1c(Br)c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000544394537 566959864 /nfs/dbraw/zinc/95/98/64/566959864.db2.gz CXPGXGVGNBHHIX-ZWNOBZJWSA-N 1 2 380.246 3.345 20 5 GGBDLO Cc1c(Br)c(NCC[N@@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000544397435 566961783 /nfs/dbraw/zinc/96/17/83/566961783.db2.gz AYPFVBJMSWPDPK-UHFFFAOYSA-N 1 2 397.298 3.014 20 5 GGBDLO Cc1c(Br)c(NCC[N@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000544397435 566961787 /nfs/dbraw/zinc/96/17/87/566961787.db2.gz AYPFVBJMSWPDPK-UHFFFAOYSA-N 1 2 397.298 3.014 20 5 GGBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC000612285613 566963381 /nfs/dbraw/zinc/96/33/81/566963381.db2.gz KAOJXNPAIZVTAI-UHFFFAOYSA-N 1 2 379.825 3.025 20 5 GGBDLO Cc1c(Br)c(N[C@@H]2CCN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000612451780 566974585 /nfs/dbraw/zinc/97/45/85/566974585.db2.gz KAKZBVDZLAWUOY-LLVKDONJSA-N 1 2 378.230 3.147 20 5 GGBDLO Cc1cc(Br)cn2cc(CNC(=O)c3csc([N+](=O)[O-])c3)[nH+]c12 ZINC000546111576 567105378 /nfs/dbraw/zinc/10/53/78/567105378.db2.gz FXCMYQNOHJSJQL-UHFFFAOYSA-N 1 2 395.238 3.305 20 5 GGBDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc([N+](=O)[O-])s3)[nH+]c12 ZINC000546823772 567163251 /nfs/dbraw/zinc/16/32/51/567163251.db2.gz OAXMWYCZFRDNKU-UHFFFAOYSA-N 1 2 395.238 3.305 20 5 GGBDLO COc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000566600554 567171987 /nfs/dbraw/zinc/17/19/87/567171987.db2.gz RENKNNMKSBRTOI-UHFFFAOYSA-N 1 2 377.198 3.276 20 5 GGBDLO COc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000566600554 567171991 /nfs/dbraw/zinc/17/19/91/567171991.db2.gz RENKNNMKSBRTOI-UHFFFAOYSA-N 1 2 377.198 3.276 20 5 GGBDLO Cc1ccccc1C[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000500263649 567311257 /nfs/dbraw/zinc/31/12/57/567311257.db2.gz URMVKUHRCKIMMJ-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434908313 567334843 /nfs/dbraw/zinc/33/48/43/567334843.db2.gz ZNWNLUQTJUZBAS-HZMBPMFUSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434908313 567334848 /nfs/dbraw/zinc/33/48/48/567334848.db2.gz ZNWNLUQTJUZBAS-HZMBPMFUSA-N 1 2 385.251 3.078 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500782584 567344119 /nfs/dbraw/zinc/34/41/19/567344119.db2.gz VZZYEGUORALFQV-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000500776014 567344437 /nfs/dbraw/zinc/34/44/37/567344437.db2.gz CTNCRPSQAVTRLR-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000456354597 567365373 /nfs/dbraw/zinc/36/53/73/567365373.db2.gz NPXSCWDYVPMXKJ-SNVBAGLBSA-N 1 2 381.230 3.373 20 5 GGBDLO O=C(Nc1ccc(Br)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000477099904 567371393 /nfs/dbraw/zinc/37/13/93/567371393.db2.gz LWTMTEKVAVGHSI-UHFFFAOYSA-N 1 2 388.181 3.190 20 5 GGBDLO Cc1c(Br)cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456420965 567373753 /nfs/dbraw/zinc/37/37/53/567373753.db2.gz MWOSEGYNGZJUDI-UFBFGSQYSA-N 1 2 379.214 3.298 20 5 GGBDLO Cc1c(Br)cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456420963 567374109 /nfs/dbraw/zinc/37/41/09/567374109.db2.gz MWOSEGYNGZJUDI-PRHODGIISA-N 1 2 379.214 3.298 20 5 GGBDLO COCC1CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000570054596 567455216 /nfs/dbraw/zinc/45/52/16/567455216.db2.gz PQACXPYYWZXDBE-UHFFFAOYSA-N 1 2 390.221 3.058 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000550655410 567455837 /nfs/dbraw/zinc/45/58/37/567455837.db2.gz CEADXXQVOWBYGL-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO Cc1c(Br)cc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000457316021 567456502 /nfs/dbraw/zinc/45/65/02/567456502.db2.gz PGVQCEFSZBAQBG-UHFFFAOYSA-N 1 2 399.270 3.436 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000550719585 567459156 /nfs/dbraw/zinc/45/91/56/567459156.db2.gz SYDJHJPRFGGILQ-UHFFFAOYSA-N 1 2 393.241 3.293 20 5 GGBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccsc1Br)OCCO2 ZINC000619747838 567478600 /nfs/dbraw/zinc/47/86/00/567478600.db2.gz GXDCRVOYUOXVQM-UHFFFAOYSA-N 1 2 385.239 3.480 20 5 GGBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000594582021 567488321 /nfs/dbraw/zinc/48/83/21/567488321.db2.gz AXHWRUIVWJVXIG-UHFFFAOYSA-N 1 2 384.483 3.002 20 5 GGBDLO Cc1c(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000479481852 567539501 /nfs/dbraw/zinc/53/95/01/567539501.db2.gz ICUIFXACUPZTQP-HNNXBMFYSA-N 1 2 396.216 3.121 20 5 GGBDLO Cc1noc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)c1[N+](=O)[O-] ZINC000595413666 567561997 /nfs/dbraw/zinc/56/19/97/567561997.db2.gz FGTSWBHGMCEWLK-QMMMGPOBSA-N 1 2 398.213 3.276 20 5 GGBDLO Cc1noc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595465309 567566854 /nfs/dbraw/zinc/56/68/54/567566854.db2.gz CBDFTMKOPWONIL-NSHDSACASA-N 1 2 379.722 3.387 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000480104582 567582107 /nfs/dbraw/zinc/58/21/07/567582107.db2.gz KPJRHFGWIDQYHW-UHFFFAOYSA-N 1 2 393.245 3.450 20 5 GGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1 ZINC000552413188 567588346 /nfs/dbraw/zinc/58/83/46/567588346.db2.gz NJPAXIVDDCPSQY-UHFFFAOYSA-N 1 2 388.225 3.228 20 5 GGBDLO Cc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Br)c(C)[nH+]1 ZINC000596048515 567604410 /nfs/dbraw/zinc/60/44/10/567604410.db2.gz AXLVIDKLZGTMGW-UHFFFAOYSA-N 1 2 392.257 3.091 20 5 GGBDLO O=[N+]([O-])c1cccc(Br)c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000596072748 567607159 /nfs/dbraw/zinc/60/71/59/567607159.db2.gz HEWSANFWWUIONU-UHFFFAOYSA-N 1 2 393.241 3.201 20 5 GGBDLO O=[N+]([O-])c1cc(Br)cnc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596356490 567626455 /nfs/dbraw/zinc/62/64/55/567626455.db2.gz IBGLTKNBJYLPSJ-UHFFFAOYSA-N 1 2 378.230 3.360 20 5 GGBDLO Cn1cc[nH+]c1[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000553265957 567640733 /nfs/dbraw/zinc/64/07/33/567640733.db2.gz KEBPPXRLVJHNRH-OAHLLOKOSA-N 1 2 380.857 3.341 20 5 GGBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2c(s1)CCC2 ZINC000459638211 567643876 /nfs/dbraw/zinc/64/38/76/567643876.db2.gz SYYXJWKEZSBONU-SECBINFHSA-N 1 2 380.857 3.483 20 5 GGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000441493401 567666014 /nfs/dbraw/zinc/66/60/14/567666014.db2.gz SWKCCUAYDYIYHP-LLVKDONJSA-N 1 2 393.241 3.384 20 5 GGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000441493401 567666017 /nfs/dbraw/zinc/66/60/17/567666017.db2.gz SWKCCUAYDYIYHP-LLVKDONJSA-N 1 2 393.241 3.384 20 5 GGBDLO Cc1c(Br)cncc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596978442 567668169 /nfs/dbraw/zinc/66/81/69/567668169.db2.gz YISBYSVIPNJLPM-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1CCSCC1 ZINC000532922406 567743200 /nfs/dbraw/zinc/74/32/00/567743200.db2.gz RNKBTWUNFHTMMI-NSHDSACASA-N 1 2 378.479 3.094 20 5 GGBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000462072951 567766083 /nfs/dbraw/zinc/76/60/83/567766083.db2.gz UTCYPCBMXUJPPO-MRXNPFEDSA-N 1 2 380.491 3.332 20 5 GGBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 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CO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000055409372 1406952809 /nfs/dbraw/zinc/95/28/09/1406952809.db2.gz IQUYVGZJORVNIX-AWEZNQCLSA-N 1 2 389.477 3.002 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000006638565 1398564126 /nfs/dbraw/zinc/56/41/26/1398564126.db2.gz FHTFOSIFQLXYNN-KRZKXXONSA-N 1 2 394.475 3.253 20 5 GGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000055464683 1406971163 /nfs/dbraw/zinc/97/11/63/1406971163.db2.gz OKLCIZOUXRRJQQ-LBPRGKRZSA-N 1 2 381.348 3.180 20 5 GGBDLO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000010226235 1398881170 /nfs/dbraw/zinc/88/11/70/1398881170.db2.gz NEVNMESNZZPEET-SFHVURJKSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000010226235 1398881172 /nfs/dbraw/zinc/88/11/72/1398881172.db2.gz NEVNMESNZZPEET-SFHVURJKSA-N 1 2 385.420 3.388 20 5 GGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014900582 1399125586 /nfs/dbraw/zinc/12/55/86/1399125586.db2.gz XDZHHWGBWVXEPO-UHFFFAOYSA-N 1 2 376.416 3.101 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOc1ccccc1Cl ZINC000015103353 1399140361 /nfs/dbraw/zinc/14/03/61/1399140361.db2.gz KXYSLRJKGMXAQU-UHFFFAOYSA-N 1 2 393.827 3.206 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOc1ccccc1Cl ZINC000015103353 1399140365 /nfs/dbraw/zinc/14/03/65/1399140365.db2.gz KXYSLRJKGMXAQU-UHFFFAOYSA-N 1 2 393.827 3.206 20 5 GGBDLO CNS(=O)(=O)c1ccc(Nc2ccc([NH+]3CCCC3)cc2C)c([N+](=O)[O-])c1 ZINC000015172199 1399143609 /nfs/dbraw/zinc/14/36/09/1399143609.db2.gz VMFCIMMKTUTFPN-UHFFFAOYSA-N 1 2 390.465 3.155 20 5 GGBDLO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000016516229 1399246996 /nfs/dbraw/zinc/24/69/96/1399246996.db2.gz ITPGNSRLOWJQBQ-ROUUACIJSA-N 1 2 396.491 3.025 20 5 GGBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000023238550 1399543010 /nfs/dbraw/zinc/54/30/10/1399543010.db2.gz JQCZYOPJOCMQQU-IYBDPMFKSA-N 1 2 385.468 3.094 20 5 GGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000023829196 1399586067 /nfs/dbraw/zinc/58/60/67/1399586067.db2.gz LLXDYLCEFGDRNK-UHFFFAOYSA-N 1 2 391.811 3.090 20 5 GGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000023829196 1399586072 /nfs/dbraw/zinc/58/60/72/1399586072.db2.gz LLXDYLCEFGDRNK-UHFFFAOYSA-N 1 2 391.811 3.090 20 5 GGBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000023829151 1399586219 /nfs/dbraw/zinc/58/62/19/1399586219.db2.gz LEHQLHNMUHIIAA-UHFFFAOYSA-N 1 2 391.811 3.090 20 5 GGBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000023829151 1399586224 /nfs/dbraw/zinc/58/62/24/1399586224.db2.gz LEHQLHNMUHIIAA-UHFFFAOYSA-N 1 2 391.811 3.090 20 5 GGBDLO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[NH+](Cc4ccncc4)CC3)c2c1 ZINC000023847419 1399586760 /nfs/dbraw/zinc/58/67/60/1399586760.db2.gz BHHGSOFGGQIBMY-UHFFFAOYSA-N 1 2 385.449 3.042 20 5 GGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024746777 1399665992 /nfs/dbraw/zinc/66/59/92/1399665992.db2.gz AQTXVICFQAUXQS-UHFFFAOYSA-N 1 2 382.445 3.248 20 5 GGBDLO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000025407594 1399806384 /nfs/dbraw/zinc/80/63/84/1399806384.db2.gz NLIYYWPVOHSQRF-STQMWFEESA-N 1 2 391.493 3.427 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000025416916 1399806954 /nfs/dbraw/zinc/80/69/54/1399806954.db2.gz FZEAPOQPBQLOBE-OAQYLSRUSA-N 1 2 392.415 3.316 20 5 GGBDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556395 1399819471 /nfs/dbraw/zinc/81/94/71/1399819471.db2.gz IBRLFWFUZHCIBC-ROUUACIJSA-N 1 2 396.491 3.291 20 5 GGBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000026215686 1399870143 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HMUNFOWYGPLFGP-CYBMUJFWSA-N 1 2 390.465 3.301 20 5 GGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000028682541 1400184100 /nfs/dbraw/zinc/18/41/00/1400184100.db2.gz HMUNFOWYGPLFGP-CYBMUJFWSA-N 1 2 390.465 3.301 20 5 GGBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)COc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000028931712 1400213285 /nfs/dbraw/zinc/21/32/85/1400213285.db2.gz HYBJIVRQQFKPHL-CYBMUJFWSA-N 1 2 390.465 3.301 20 5 GGBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000028931712 1400213288 /nfs/dbraw/zinc/21/32/88/1400213288.db2.gz HYBJIVRQQFKPHL-CYBMUJFWSA-N 1 2 390.465 3.301 20 5 GGBDLO C[C@@H](c1nnc(Sc2ncccc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000029001521 1400223919 /nfs/dbraw/zinc/22/39/19/1400223919.db2.gz HBWXJPLSHWUEQH-NSHDSACASA-N 1 2 388.428 3.483 20 5 GGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000029625774 1400324963 /nfs/dbraw/zinc/32/49/63/1400324963.db2.gz VGDQZQQPILSZOL-OAHLLOKOSA-N 1 2 391.415 3.233 20 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COc1ccc([C@@H](CO)[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000093415837 1410244251 /nfs/dbraw/zinc/24/42/51/1410244251.db2.gz MTHWVZXKPGNEID-MRXNPFEDSA-N 1 2 382.363 3.370 20 5 GGBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000093415837 1410244255 /nfs/dbraw/zinc/24/42/55/1410244255.db2.gz MTHWVZXKPGNEID-MRXNPFEDSA-N 1 2 382.363 3.370 20 5 GGBDLO Cc1nsc(N2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)n1 ZINC000093717229 1410262072 /nfs/dbraw/zinc/26/20/72/1410262072.db2.gz TZOBQZKNWOAZGB-UHFFFAOYSA-N 1 2 399.423 3.068 20 5 GGBDLO Cc1nsc(N2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)n1 ZINC000093717229 1410262082 /nfs/dbraw/zinc/26/20/82/1410262082.db2.gz TZOBQZKNWOAZGB-UHFFFAOYSA-N 1 2 399.423 3.068 20 5 GGBDLO Cc1cc(C)c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)[nH+]1 ZINC000097040325 1410347886 /nfs/dbraw/zinc/34/78/86/1410347886.db2.gz WUUVMRNGYJGLAE-UHFFFAOYSA-N 1 2 384.392 3.242 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000098104911 1410419247 /nfs/dbraw/zinc/41/92/47/1410419247.db2.gz VUYYEJQVOYFJBO-UHFFFAOYSA-N 1 2 394.387 3.348 20 5 GGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101866396 1410510962 /nfs/dbraw/zinc/51/09/62/1410510962.db2.gz QZZLAFZSAOHMGO-LBPRGKRZSA-N 1 2 378.816 3.076 20 5 GGBDLO CCCC(=O)NC[C@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000101905715 1410516127 /nfs/dbraw/zinc/51/61/27/1410516127.db2.gz CIVWLSBYGZZHKQ-CYBMUJFWSA-N 1 2 392.481 3.458 20 5 GGBDLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000101905715 1410516138 /nfs/dbraw/zinc/51/61/38/1410516138.db2.gz CIVWLSBYGZZHKQ-CYBMUJFWSA-N 1 2 392.481 3.458 20 5 GGBDLO COc1ccc(-c2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000102420870 1410626115 /nfs/dbraw/zinc/62/61/15/1410626115.db2.gz CIOZQGFVDGJXBB-LJQANCHMSA-N 1 2 381.388 3.180 20 5 GGBDLO CS(=O)(=O)c1ccc(N2CC[NH+](CCCC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000176897254 1428514913 /nfs/dbraw/zinc/51/49/13/1428514913.db2.gz SJALNHSKIFJDGM-UHFFFAOYSA-N 1 2 395.525 3.091 20 5 GGBDLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(N)c([N+](=O)[O-])c1 ZINC000104139612 1410885440 /nfs/dbraw/zinc/88/54/40/1410885440.db2.gz ICAZNDBCYMRUFO-UHFFFAOYSA-N 1 2 375.454 3.180 20 5 GGBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000104678907 1410926911 /nfs/dbraw/zinc/92/69/11/1410926911.db2.gz KOBJCJNUCUVDQF-UHFFFAOYSA-N 1 2 388.468 3.305 20 5 GGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc[nH+]1 ZINC000106577928 1411253605 /nfs/dbraw/zinc/25/36/05/1411253605.db2.gz FMMTUVFVCBYBHP-UHFFFAOYSA-N 1 2 383.145 3.155 20 5 GGBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000107619344 1411393704 /nfs/dbraw/zinc/39/37/04/1411393704.db2.gz BJHVPGZBXODSAF-OAHLLOKOSA-N 1 2 379.420 3.035 20 5 GGBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000107619341 1411394086 /nfs/dbraw/zinc/39/40/86/1411394086.db2.gz BJHVPGZBXODSAF-HNNXBMFYSA-N 1 2 379.420 3.035 20 5 GGBDLO C[C@H](CNC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000107699707 1411399488 /nfs/dbraw/zinc/39/94/88/1411399488.db2.gz NZSOBRMFNYCPNM-MSOLQXFVSA-N 1 2 396.491 3.025 20 5 GGBDLO Cc1cc(C(=O)NC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c(C)o1 ZINC000177042936 1428565521 /nfs/dbraw/zinc/56/55/21/1428565521.db2.gz SFQFGYDPLRDEET-UHFFFAOYSA-N 1 2 398.419 3.340 20 5 GGBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000108069096 1411435964 /nfs/dbraw/zinc/43/59/64/1411435964.db2.gz FJKXWHJOXHAIOL-UHFFFAOYSA-N 1 2 375.856 3.445 20 5 GGBDLO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000108069096 1411435976 /nfs/dbraw/zinc/43/59/76/1411435976.db2.gz FJKXWHJOXHAIOL-UHFFFAOYSA-N 1 2 375.856 3.445 20 5 GGBDLO Cc1nc(-c2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2)n[nH]1 ZINC000108529374 1411531213 /nfs/dbraw/zinc/53/12/13/1411531213.db2.gz JNWBRTOKTLLTHU-UHFFFAOYSA-N 1 2 389.375 3.126 20 5 GGBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000108978751 1411653728 /nfs/dbraw/zinc/65/37/28/1411653728.db2.gz YLIKEWYNWVBBIM-UHFFFAOYSA-N 1 2 385.468 3.238 20 5 GGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000109000499 1411658328 /nfs/dbraw/zinc/65/83/28/1411658328.db2.gz VWDQQFNFXFWQQY-UHFFFAOYSA-N 1 2 387.461 3.158 20 5 GGBDLO O=C(NCCCOc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109406992 1411756375 /nfs/dbraw/zinc/75/63/75/1411756375.db2.gz HTLOWNZKCMORGJ-UHFFFAOYSA-N 1 2 384.367 3.119 20 5 GGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000109796357 1411811102 /nfs/dbraw/zinc/81/11/02/1411811102.db2.gz NFRVYJIDODSRRI-LBPRGKRZSA-N 1 2 377.832 3.109 20 5 GGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000109796359 1411811174 /nfs/dbraw/zinc/81/11/74/1411811174.db2.gz NFRVYJIDODSRRI-GFCCVEGCSA-N 1 2 377.832 3.109 20 5 GGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000110932733 1411877690 /nfs/dbraw/zinc/87/76/90/1411877690.db2.gz GRNWQDFPFQJVGS-UHFFFAOYSA-N 1 2 376.844 3.153 20 5 GGBDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000111304862 1411907840 /nfs/dbraw/zinc/90/78/40/1411907840.db2.gz UPJGNTYBAQBPNL-UHFFFAOYSA-N 1 2 398.463 3.427 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000111311112 1411910386 /nfs/dbraw/zinc/91/03/86/1411910386.db2.gz QCKMILNTVKSCFT-OAHLLOKOSA-N 1 2 390.465 3.316 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000111311112 1411910415 /nfs/dbraw/zinc/91/04/15/1411910415.db2.gz QCKMILNTVKSCFT-OAHLLOKOSA-N 1 2 390.465 3.316 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000111312599 1411910607 /nfs/dbraw/zinc/91/06/07/1411910607.db2.gz BEOLNKPOAPWZBB-OAHLLOKOSA-N 1 2 390.465 3.316 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000111312599 1411910612 /nfs/dbraw/zinc/91/06/12/1411910612.db2.gz BEOLNKPOAPWZBB-OAHLLOKOSA-N 1 2 390.465 3.316 20 5 GGBDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000111375675 1411932213 /nfs/dbraw/zinc/93/22/13/1411932213.db2.gz FMAAIBYJNOLGAH-MNOVXSKESA-N 1 2 378.454 3.300 20 5 GGBDLO Cc1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc([N+](=O)[O-])c1 ZINC000113722408 1412337429 /nfs/dbraw/zinc/33/74/29/1412337429.db2.gz ZJLFPTPXDAPDPA-UHFFFAOYSA-N 1 2 380.404 3.452 20 5 GGBDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cn2c1 ZINC000114677807 1412494310 /nfs/dbraw/zinc/49/43/10/1412494310.db2.gz TUVWOBIKKAVQEX-UHFFFAOYSA-N 1 2 382.445 3.373 20 5 GGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCNc1cccc[nH+]1 ZINC000115159699 1412599981 /nfs/dbraw/zinc/59/99/81/1412599981.db2.gz FDBNSGKHOWZWIS-UHFFFAOYSA-N 1 2 386.455 3.168 20 5 GGBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000177283620 1428670400 /nfs/dbraw/zinc/67/04/00/1428670400.db2.gz ZRIMRRIXHUQQSB-UHFFFAOYSA-N 1 2 397.475 3.271 20 5 GGBDLO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000177283620 1428670401 /nfs/dbraw/zinc/67/04/01/1428670401.db2.gz ZRIMRRIXHUQQSB-UHFFFAOYSA-N 1 2 397.475 3.271 20 5 GGBDLO O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000115559487 1412710539 /nfs/dbraw/zinc/71/05/39/1412710539.db2.gz RDDVBXMDPZISOP-LJQANCHMSA-N 1 2 383.473 3.274 20 5 GGBDLO O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000115559487 1412710552 /nfs/dbraw/zinc/71/05/52/1412710552.db2.gz RDDVBXMDPZISOP-LJQANCHMSA-N 1 2 383.473 3.274 20 5 GGBDLO COc1c(C)c[nH+]c(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000116636178 1412889474 /nfs/dbraw/zinc/88/94/74/1412889474.db2.gz ZFWRYPQJZWIGCS-UHFFFAOYSA-N 1 2 393.827 3.354 20 5 GGBDLO Cc1ccc(OC2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000116883617 1412948014 /nfs/dbraw/zinc/94/80/14/1412948014.db2.gz UDEDYRDCNHRQOV-UHFFFAOYSA-N 1 2 383.448 3.409 20 5 GGBDLO NC(=O)c1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000117352812 1413028668 /nfs/dbraw/zinc/02/86/68/1413028668.db2.gz SWLKOGKOAIHFHA-UHFFFAOYSA-N 1 2 385.264 3.010 20 5 GGBDLO NC(=O)c1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000117352812 1413028671 /nfs/dbraw/zinc/02/86/71/1413028671.db2.gz SWLKOGKOAIHFHA-UHFFFAOYSA-N 1 2 385.264 3.010 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000117750250 1413074886 /nfs/dbraw/zinc/07/48/86/1413074886.db2.gz MSGCRFFZUOZWCP-UHFFFAOYSA-N 1 2 398.850 3.394 20 5 GGBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117806436 1413081056 /nfs/dbraw/zinc/08/10/56/1413081056.db2.gz YLBOBJGLHKUBGW-CQSZACIVSA-N 1 2 388.855 3.091 20 5 GGBDLO O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1Cl ZINC000118161394 1413117678 /nfs/dbraw/zinc/11/76/78/1413117678.db2.gz UDDZCMSTLYAOMO-UHFFFAOYSA-N 1 2 396.787 3.374 20 5 GGBDLO Cc1c(NC(=O)CCN2CC[NH+]([C@@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000118835510 1413237928 /nfs/dbraw/zinc/23/79/28/1413237928.db2.gz XUCHXTXIICUXEN-KRWDZBQOSA-N 1 2 397.479 3.006 20 5 GGBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000119145546 1413354473 /nfs/dbraw/zinc/35/44/73/1413354473.db2.gz HKSLNUXFIGJNAL-UHFFFAOYSA-N 1 2 397.479 3.412 20 5 GGBDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000177409931 1428723435 /nfs/dbraw/zinc/72/34/35/1428723435.db2.gz QYLJELSGPLAWMH-UGSOOPFHSA-N 1 2 396.403 3.285 20 5 GGBDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000177411929 1428724765 /nfs/dbraw/zinc/72/47/65/1428724765.db2.gz LTKWKJODXAMWTO-SCLBCKFNSA-N 1 2 396.403 3.285 20 5 GGBDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000177411891 1428724882 /nfs/dbraw/zinc/72/48/82/1428724882.db2.gz LTKWKJODXAMWTO-UGSOOPFHSA-N 1 2 396.403 3.285 20 5 GGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119383702 1413431026 /nfs/dbraw/zinc/43/10/26/1413431026.db2.gz NVYKTTHTDPNSBG-HNNXBMFYSA-N 1 2 388.493 3.287 20 5 GGBDLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000177411910 1428724563 /nfs/dbraw/zinc/72/45/63/1428724563.db2.gz LTKWKJODXAMWTO-ACJLOTCBSA-N 1 2 396.403 3.285 20 5 GGBDLO C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177426263 1428732048 /nfs/dbraw/zinc/73/20/48/1428732048.db2.gz MMJNMNVSPKMYKH-KUHUBIRLSA-N 1 2 380.404 3.023 20 5 GGBDLO CC(C)Oc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000119828580 1413584533 /nfs/dbraw/zinc/58/45/33/1413584533.db2.gz LWLQDUYIHGCQLH-UHFFFAOYSA-N 1 2 383.448 3.340 20 5 GGBDLO Cc1cc[nH+]c(N2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000119917840 1413616392 /nfs/dbraw/zinc/61/63/92/1413616392.db2.gz OUURSMOXHLQKDJ-HNNXBMFYSA-N 1 2 394.435 3.231 20 5 GGBDLO Cc1cc[nH+]c(N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000119917981 1413616496 /nfs/dbraw/zinc/61/64/96/1413616496.db2.gz OUURSMOXHLQKDJ-OAHLLOKOSA-N 1 2 394.435 3.231 20 5 GGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000119980756 1413640183 /nfs/dbraw/zinc/64/01/83/1413640183.db2.gz ZCCUVKPWCBFGNH-MRXNPFEDSA-N 1 2 385.468 3.002 20 5 GGBDLO CC[NH+](CC)CCOc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120022711 1413657029 /nfs/dbraw/zinc/65/70/29/1413657029.db2.gz GVSHXRATXPUHIF-UHFFFAOYSA-N 1 2 399.494 3.178 20 5 GGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000120034738 1413662350 /nfs/dbraw/zinc/66/23/50/1413662350.db2.gz NOHOXNFEPVYYAG-INIZCTEOSA-N 1 2 397.479 3.023 20 5 GGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120140826 1413703469 /nfs/dbraw/zinc/70/34/69/1413703469.db2.gz DLVOAOPSJUGIAT-JKSUJKDBSA-N 1 2 385.468 3.362 20 5 GGBDLO O=C(NCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000120224955 1413739721 /nfs/dbraw/zinc/73/97/21/1413739721.db2.gz SBBCYSOJSYLYFO-UHFFFAOYSA-N 1 2 379.420 3.224 20 5 GGBDLO COc1cc(C[N@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1SC ZINC000120284546 1413767657 /nfs/dbraw/zinc/76/76/57/1413767657.db2.gz LBGMFVJPJJGRDQ-UHFFFAOYSA-N 1 2 389.433 3.323 20 5 GGBDLO COc1cc(C[N@@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1SC ZINC000120284546 1413767673 /nfs/dbraw/zinc/76/76/73/1413767673.db2.gz LBGMFVJPJJGRDQ-UHFFFAOYSA-N 1 2 389.433 3.323 20 5 GGBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120781686 1413901189 /nfs/dbraw/zinc/90/11/89/1413901189.db2.gz IKFBZXDYXCUCJF-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120839311 1413922037 /nfs/dbraw/zinc/92/20/37/1413922037.db2.gz CEMDFZKIMVVWPO-ZDUSSCGKSA-N 1 2 376.844 3.006 20 5 GGBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121051005 1413989103 /nfs/dbraw/zinc/98/91/03/1413989103.db2.gz YSYPISXTSWKWSW-GOSISDBHSA-N 1 2 396.447 3.274 20 5 GGBDLO COc1c(C)c[nH+]c(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1C ZINC000121305210 1414078291 /nfs/dbraw/zinc/07/82/91/1414078291.db2.gz QWBPEBUDBPIHTE-UHFFFAOYSA-N 1 2 384.436 3.489 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121414544 1414114584 /nfs/dbraw/zinc/11/45/84/1414114584.db2.gz FKIJNQPIBKJVQU-UHFFFAOYSA-N 1 2 377.404 3.068 20 5 GGBDLO O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121426237 1414117808 /nfs/dbraw/zinc/11/78/08/1414117808.db2.gz YWTIVSBAOXPATK-FQEVSTJZSA-N 1 2 397.500 3.270 20 5 GGBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000121728619 1414238341 /nfs/dbraw/zinc/23/83/41/1414238341.db2.gz QYOQIYVJLUVSNB-LBPRGKRZSA-N 1 2 393.469 3.253 20 5 GGBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000121728619 1414238348 /nfs/dbraw/zinc/23/83/48/1414238348.db2.gz QYOQIYVJLUVSNB-LBPRGKRZSA-N 1 2 393.469 3.253 20 5 GGBDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000121728791 1414238724 /nfs/dbraw/zinc/23/87/24/1414238724.db2.gz QYOQIYVJLUVSNB-GFCCVEGCSA-N 1 2 393.469 3.253 20 5 GGBDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000121728791 1414238737 /nfs/dbraw/zinc/23/87/37/1414238737.db2.gz QYOQIYVJLUVSNB-GFCCVEGCSA-N 1 2 393.469 3.253 20 5 GGBDLO O=C(C[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000121783236 1414255697 /nfs/dbraw/zinc/25/56/97/1414255697.db2.gz WNPZLTXJLJXDJJ-OAHLLOKOSA-N 1 2 399.472 3.283 20 5 GGBDLO O=C(C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000121783236 1414255700 /nfs/dbraw/zinc/25/57/00/1414255700.db2.gz WNPZLTXJLJXDJJ-OAHLLOKOSA-N 1 2 399.472 3.283 20 5 GGBDLO COc1cccc2c1CC[C@H]2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000121882736 1414289861 /nfs/dbraw/zinc/28/98/61/1414289861.db2.gz FRFYBCRFQRGMQC-MRXNPFEDSA-N 1 2 378.388 3.206 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH+](Cc4ccccn4)CC3)cs2)c1 ZINC000121938122 1414314970 /nfs/dbraw/zinc/31/49/70/1414314970.db2.gz CLVBXDIBABSJMT-UHFFFAOYSA-N 1 2 395.488 3.431 20 5 GGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000122686999 1414538540 /nfs/dbraw/zinc/53/85/40/1414538540.db2.gz LMNPDWYLUKRIQT-UHFFFAOYSA-N 1 2 387.399 3.318 20 5 GGBDLO Cc1cccn2cc(CCNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)[nH+]c12 ZINC000123094677 1414639901 /nfs/dbraw/zinc/63/99/01/1414639901.db2.gz XIORZBHWZYFZQK-UHFFFAOYSA-N 1 2 393.447 3.468 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177731544 1428844594 /nfs/dbraw/zinc/84/45/94/1428844594.db2.gz CNTCJJVEIUXSBK-ASHKIFAZSA-N 1 2 389.477 3.272 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177731544 1428844598 /nfs/dbraw/zinc/84/45/98/1428844598.db2.gz CNTCJJVEIUXSBK-ASHKIFAZSA-N 1 2 389.477 3.272 20 5 GGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124683323 1415020970 /nfs/dbraw/zinc/02/09/70/1415020970.db2.gz KCJHFMFWRALXSR-IAQYHMDHSA-N 1 2 398.872 3.025 20 5 GGBDLO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)CC1 ZINC000124917637 1415072316 /nfs/dbraw/zinc/07/23/16/1415072316.db2.gz AUYYJZPCMHZFRU-UHFFFAOYSA-N 1 2 384.436 3.083 20 5 GGBDLO Cc1cccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000177892219 1428885322 /nfs/dbraw/zinc/88/53/22/1428885322.db2.gz NCHMCEFKPAWZPQ-QGZVFWFLSA-N 1 2 377.404 3.461 20 5 GGBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000125740646 1415267756 /nfs/dbraw/zinc/26/77/56/1415267756.db2.gz OVSVSUCSAFJBDQ-GDBMZVCRSA-N 1 2 376.434 3.086 20 5 GGBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000125740646 1415267764 /nfs/dbraw/zinc/26/77/64/1415267764.db2.gz OVSVSUCSAFJBDQ-GDBMZVCRSA-N 1 2 376.434 3.086 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000125889514 1415305297 /nfs/dbraw/zinc/30/52/97/1415305297.db2.gz RQROCYKSGPKKNL-DNVCBOLYSA-N 1 2 383.452 3.115 20 5 GGBDLO Cc1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126162277 1415373744 /nfs/dbraw/zinc/37/37/44/1415373744.db2.gz RRFWJAGTCNXOSR-BZNIZROVSA-N 1 2 387.396 3.040 20 5 GGBDLO Cc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126162043 1415373821 /nfs/dbraw/zinc/37/38/21/1415373821.db2.gz RRFWJAGTCNXOSR-ZBEGNZNMSA-N 1 2 387.396 3.040 20 5 GGBDLO Cc1ccccc1[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000126198746 1415382632 /nfs/dbraw/zinc/38/26/32/1415382632.db2.gz OHEAILDFIOHUBV-HXUWFJFHSA-N 1 2 397.431 3.275 20 5 GGBDLO Cc1ccccc1[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000126198746 1415382638 /nfs/dbraw/zinc/38/26/38/1415382638.db2.gz OHEAILDFIOHUBV-HXUWFJFHSA-N 1 2 397.431 3.275 20 5 GGBDLO CCNc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1[N+](=O)[O-] ZINC000126324643 1415418065 /nfs/dbraw/zinc/41/80/65/1415418065.db2.gz GOXXNHICEBAFGV-UHFFFAOYSA-N 1 2 398.463 3.420 20 5 GGBDLO Cc1c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000126737346 1415543391 /nfs/dbraw/zinc/54/33/91/1415543391.db2.gz JHPAHMXYMSWFGV-UHFFFAOYSA-N 1 2 399.407 3.127 20 5 GGBDLO CC1CC[NH+](CC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000126789693 1415559302 /nfs/dbraw/zinc/55/93/02/1415559302.db2.gz CFYVVXJQPGGFDF-UHFFFAOYSA-N 1 2 397.431 3.484 20 5 GGBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)n2)C1 ZINC000127105485 1415661300 /nfs/dbraw/zinc/66/13/00/1415661300.db2.gz NPICBMUCHOSHPO-JTQLQIEISA-N 1 2 393.444 3.257 20 5 GGBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)n2)C1 ZINC000127105485 1415661302 /nfs/dbraw/zinc/66/13/02/1415661302.db2.gz NPICBMUCHOSHPO-JTQLQIEISA-N 1 2 393.444 3.257 20 5 GGBDLO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178086826 1428975988 /nfs/dbraw/zinc/97/59/88/1428975988.db2.gz JAHHLOZAKIOPIC-HXUWFJFHSA-N 1 2 394.431 3.285 20 5 GGBDLO CCCOc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000129015709 1416126012 /nfs/dbraw/zinc/12/60/12/1416126012.db2.gz NYSPKHDFEUNCPG-UHFFFAOYSA-N 1 2 383.448 3.342 20 5 GGBDLO Cc1ccc(NCCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000129213704 1416172015 /nfs/dbraw/zinc/17/20/15/1416172015.db2.gz JPTGCOSNQJQSFY-UHFFFAOYSA-N 1 2 393.447 3.380 20 5 GGBDLO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1O2 ZINC000129474531 1416215385 /nfs/dbraw/zinc/21/53/85/1416215385.db2.gz NZGFWKUNBARSMZ-QGZVFWFLSA-N 1 2 397.431 3.018 20 5 GGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N[C@H]1CCOc2ccccc21 ZINC000130043158 1416307909 /nfs/dbraw/zinc/30/79/09/1416307909.db2.gz VMZTVZATROIXPL-IBGZPJMESA-N 1 2 381.432 3.199 20 5 GGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N[C@H]1CCOc2ccccc21 ZINC000130043158 1416307913 /nfs/dbraw/zinc/30/79/13/1416307913.db2.gz VMZTVZATROIXPL-IBGZPJMESA-N 1 2 381.432 3.199 20 5 GGBDLO Cn1cc(CNc2cc(CSCCO)cc[nH+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130138432 1416325458 /nfs/dbraw/zinc/32/54/58/1416325458.db2.gz UWTOACJKRMJBCT-UHFFFAOYSA-N 1 2 399.476 3.228 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130245634 1416345552 /nfs/dbraw/zinc/34/55/52/1416345552.db2.gz DRGSHMHAFANCEK-UHFFFAOYSA-N 1 2 384.392 3.415 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130245634 1416345557 /nfs/dbraw/zinc/34/55/57/1416345557.db2.gz DRGSHMHAFANCEK-UHFFFAOYSA-N 1 2 384.392 3.415 20 5 GGBDLO CC(=O)Nc1cccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130494453 1416388367 /nfs/dbraw/zinc/38/83/67/1416388367.db2.gz CVBNGCMNCCXLDT-UHFFFAOYSA-N 1 2 382.420 3.156 20 5 GGBDLO CC(=O)Nc1cccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130494453 1416388373 /nfs/dbraw/zinc/38/83/73/1416388373.db2.gz CVBNGCMNCCXLDT-UHFFFAOYSA-N 1 2 382.420 3.156 20 5 GGBDLO O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000130639731 1416415332 /nfs/dbraw/zinc/41/53/32/1416415332.db2.gz GBSGHLSTIYCZTL-FXAWDEMLSA-N 1 2 392.415 3.431 20 5 GGBDLO O=C(COc1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000130656479 1416418457 /nfs/dbraw/zinc/41/84/57/1416418457.db2.gz XBDZVVCSMZWDJU-UHFFFAOYSA-N 1 2 395.868 3.033 20 5 GGBDLO Cc1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(C(C)(C)C)n1 ZINC000130731201 1416437442 /nfs/dbraw/zinc/43/74/42/1416437442.db2.gz ABULUOCXIGGJIC-UHFFFAOYSA-N 1 2 385.468 3.458 20 5 GGBDLO Cc1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(C(C)(C)C)n1 ZINC000130731201 1416437447 /nfs/dbraw/zinc/43/74/47/1416437447.db2.gz ABULUOCXIGGJIC-UHFFFAOYSA-N 1 2 385.468 3.458 20 5 GGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130878760 1416474039 /nfs/dbraw/zinc/47/40/39/1416474039.db2.gz KDSBZDRORNTVJU-UHFFFAOYSA-N 1 2 396.403 3.057 20 5 GGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130878760 1416474043 /nfs/dbraw/zinc/47/40/43/1416474043.db2.gz KDSBZDRORNTVJU-UHFFFAOYSA-N 1 2 396.403 3.057 20 5 GGBDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000131175820 1416519671 /nfs/dbraw/zinc/51/96/71/1416519671.db2.gz NCSOJKWVMSEHGG-GOSISDBHSA-N 1 2 385.420 3.060 20 5 GGBDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000131175820 1416519676 /nfs/dbraw/zinc/51/96/76/1416519676.db2.gz NCSOJKWVMSEHGG-GOSISDBHSA-N 1 2 385.420 3.060 20 5 GGBDLO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1nc(C(C)(C)C)no1 ZINC000131568749 1416577272 /nfs/dbraw/zinc/57/72/72/1416577272.db2.gz UAYXQVDORNGQKQ-JTQLQIEISA-N 1 2 379.392 3.094 20 5 GGBDLO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178578244 1429112138 /nfs/dbraw/zinc/11/21/38/1429112138.db2.gz SYGDHDWBFCGLNW-DJJJIMSYSA-N 1 2 398.394 3.162 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000131753611 1416612182 /nfs/dbraw/zinc/61/21/82/1416612182.db2.gz GGCLLNIFUFNHIN-KRWDZBQOSA-N 1 2 395.419 3.034 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000131753611 1416612190 /nfs/dbraw/zinc/61/21/90/1416612190.db2.gz GGCLLNIFUFNHIN-KRWDZBQOSA-N 1 2 395.419 3.034 20 5 GGBDLO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178578263 1429112348 /nfs/dbraw/zinc/11/23/48/1429112348.db2.gz SYGDHDWBFCGLNW-ORAYPTAESA-N 1 2 398.394 3.162 20 5 GGBDLO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1[N+](=O)[O-] ZINC000131852726 1416635069 /nfs/dbraw/zinc/63/50/69/1416635069.db2.gz CSWOIBOYZPLVNW-UHFFFAOYSA-N 1 2 386.433 3.468 20 5 GGBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000132316114 1416734270 /nfs/dbraw/zinc/73/42/70/1416734270.db2.gz FMXSMJRDCHWESQ-UHFFFAOYSA-N 1 2 375.450 3.034 20 5 GGBDLO CO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000178634053 1429126515 /nfs/dbraw/zinc/12/65/15/1429126515.db2.gz XPDIPQCGWQKFDT-WFASDCNBSA-N 1 2 390.465 3.156 20 5 GGBDLO CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000178634053 1429126520 /nfs/dbraw/zinc/12/65/20/1429126520.db2.gz XPDIPQCGWQKFDT-WFASDCNBSA-N 1 2 390.465 3.156 20 5 GGBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000132589766 1416789611 /nfs/dbraw/zinc/78/96/11/1416789611.db2.gz HPSACRLSINWTNF-UHFFFAOYSA-N 1 2 387.342 3.096 20 5 GGBDLO CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000133672879 1416937175 /nfs/dbraw/zinc/93/71/75/1416937175.db2.gz XAEOZWFNAHDUGR-SFHVURJKSA-N 1 2 396.403 3.150 20 5 GGBDLO O=C(C[N@@H+](CCCO)Cc1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000134282058 1417049142 /nfs/dbraw/zinc/04/91/42/1417049142.db2.gz LOGLTCWCVTUFMO-UHFFFAOYSA-N 1 2 377.828 3.071 20 5 GGBDLO O=C(C[N@H+](CCCO)Cc1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000134282058 1417049144 /nfs/dbraw/zinc/04/91/44/1417049144.db2.gz LOGLTCWCVTUFMO-UHFFFAOYSA-N 1 2 377.828 3.071 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2c(F)cc(F)cc2C1 ZINC000134294696 1417051579 /nfs/dbraw/zinc/05/15/79/1417051579.db2.gz NZPKFGXTHJHZJU-UHFFFAOYSA-N 1 2 384.342 3.257 20 5 GGBDLO O=C(NCCCNc1cccc[nH+]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000136171858 1417297613 /nfs/dbraw/zinc/29/76/13/1417297613.db2.gz PFBKCSBHDGIMFU-UHFFFAOYSA-N 1 2 383.433 3.345 20 5 GGBDLO O=C(NCCCNc1cccc[nH+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000136186496 1417299334 /nfs/dbraw/zinc/29/93/34/1417299334.db2.gz WKUDQWPYAVCIBC-UHFFFAOYSA-N 1 2 383.433 3.345 20 5 GGBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136261260 1417305623 /nfs/dbraw/zinc/30/56/23/1417305623.db2.gz HJFXQVBTNZHMAI-UHFFFAOYSA-N 1 2 384.823 3.466 20 5 GGBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000136892354 1417353157 /nfs/dbraw/zinc/35/31/57/1417353157.db2.gz QVXCNSSJELORRD-LJQANCHMSA-N 1 2 375.856 3.099 20 5 GGBDLO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Oc2ccccc21 ZINC000137590914 1417391290 /nfs/dbraw/zinc/39/12/90/1417391290.db2.gz PYYJIGCPIRWQEE-KRWDZBQOSA-N 1 2 398.463 3.061 20 5 GGBDLO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Oc2ccccc21 ZINC000137590914 1417391293 /nfs/dbraw/zinc/39/12/93/1417391293.db2.gz PYYJIGCPIRWQEE-KRWDZBQOSA-N 1 2 398.463 3.061 20 5 GGBDLO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Oc2ccccc21 ZINC000137591009 1417391345 /nfs/dbraw/zinc/39/13/45/1417391345.db2.gz PYYJIGCPIRWQEE-QGZVFWFLSA-N 1 2 398.463 3.061 20 5 GGBDLO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Oc2ccccc21 ZINC000137591009 1417391348 /nfs/dbraw/zinc/39/13/48/1417391348.db2.gz PYYJIGCPIRWQEE-QGZVFWFLSA-N 1 2 398.463 3.061 20 5 GGBDLO C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178824386 1429184579 /nfs/dbraw/zinc/18/45/79/1429184579.db2.gz USTRCPJIBRAWBY-MLGOLLRUSA-N 1 2 386.433 3.084 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140403599 1417501667 /nfs/dbraw/zinc/50/16/67/1417501667.db2.gz MMEGAZBZZHHZMX-SNUQEOBHSA-N 1 2 381.860 3.202 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140403599 1417501682 /nfs/dbraw/zinc/50/16/82/1417501682.db2.gz MMEGAZBZZHHZMX-SNUQEOBHSA-N 1 2 381.860 3.202 20 5 GGBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000178838480 1429189784 /nfs/dbraw/zinc/18/97/84/1429189784.db2.gz TZIZVERCLJZESA-CJNGLKHVSA-N 1 2 378.388 3.075 20 5 GGBDLO O=C(COc1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000144948429 1417677380 /nfs/dbraw/zinc/67/73/80/1417677380.db2.gz WGJSOCBRNGNOAO-UHFFFAOYSA-N 1 2 395.868 3.033 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000150758549 1417801065 /nfs/dbraw/zinc/80/10/65/1417801065.db2.gz JAPAZRVVOLJFBH-UHFFFAOYSA-N 1 2 378.429 3.358 20 5 GGBDLO O=C(O[C@@H]([C@@H]1CCCO1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178897406 1429214457 /nfs/dbraw/zinc/21/44/57/1429214457.db2.gz UTCWNUFPUCZOBS-KBPBESRZSA-N 1 2 385.298 3.047 20 5 GGBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000151254209 1417904958 /nfs/dbraw/zinc/90/49/58/1417904958.db2.gz QCEKJCTXGIVJGE-MEDUHNTESA-N 1 2 398.872 3.025 20 5 GGBDLO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151963942 1418107411 /nfs/dbraw/zinc/10/74/11/1418107411.db2.gz OCTPGZRRMBNAOR-XJKSGUPXSA-N 1 2 393.827 3.368 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151963942 1418107415 /nfs/dbraw/zinc/10/74/15/1418107415.db2.gz OCTPGZRRMBNAOR-XJKSGUPXSA-N 1 2 393.827 3.368 20 5 GGBDLO Cc1ccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000152247130 1418183312 /nfs/dbraw/zinc/18/33/12/1418183312.db2.gz MXZRQQRLCADNQS-UHFFFAOYSA-N 1 2 377.466 3.382 20 5 GGBDLO Cc1ccc(N2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1C ZINC000179088390 1429258707 /nfs/dbraw/zinc/25/87/07/1429258707.db2.gz VBMHGBOBPXQQAU-UHFFFAOYSA-N 1 2 383.448 3.400 20 5 GGBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000179156118 1429279556 /nfs/dbraw/zinc/27/95/56/1429279556.db2.gz PCPJDCQUUCLGDO-UHFFFAOYSA-N 1 2 380.404 3.241 20 5 GGBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000179156118 1429279561 /nfs/dbraw/zinc/27/95/61/1429279561.db2.gz PCPJDCQUUCLGDO-UHFFFAOYSA-N 1 2 380.404 3.241 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCN(c4nccs4)CC3)co2)cc1 ZINC000179163495 1429282631 /nfs/dbraw/zinc/28/26/31/1429282631.db2.gz KQKHIALEDIJUSY-UHFFFAOYSA-N 1 2 385.449 3.419 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCN(c4nccs4)CC3)co2)cc1 ZINC000179163495 1429282635 /nfs/dbraw/zinc/28/26/35/1429282635.db2.gz KQKHIALEDIJUSY-UHFFFAOYSA-N 1 2 385.449 3.419 20 5 GGBDLO C[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000179316384 1429325927 /nfs/dbraw/zinc/32/59/27/1429325927.db2.gz SZIXQZQPUQRERF-UHFFFAOYSA-N 1 2 383.448 3.228 20 5 GGBDLO C[N@@H+](Cc1ccccc1OCC(=O)N1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000179316384 1429325933 /nfs/dbraw/zinc/32/59/33/1429325933.db2.gz SZIXQZQPUQRERF-UHFFFAOYSA-N 1 2 383.448 3.228 20 5 GGBDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000179419319 1429367281 /nfs/dbraw/zinc/36/72/81/1429367281.db2.gz ZJCCAPMGCJZTPV-UHFFFAOYSA-N 1 2 390.197 3.327 20 5 GGBDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179571480 1429441376 /nfs/dbraw/zinc/44/13/76/1429441376.db2.gz YZLXCESKWZPVJJ-UHFFFAOYSA-N 1 2 384.436 3.322 20 5 GGBDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179571480 1429441381 /nfs/dbraw/zinc/44/13/81/1429441381.db2.gz YZLXCESKWZPVJJ-UHFFFAOYSA-N 1 2 384.436 3.322 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000152451463 1422107182 /nfs/dbraw/zinc/10/71/82/1422107182.db2.gz JFGYISLQXFKMFM-UHFFFAOYSA-N 1 2 383.448 3.307 20 5 GGBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152612110 1422165372 /nfs/dbraw/zinc/16/53/72/1422165372.db2.gz AMCMCECGWLKKGB-UHFFFAOYSA-N 1 2 389.839 3.010 20 5 GGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000152785401 1422247963 /nfs/dbraw/zinc/24/79/63/1422247963.db2.gz RWGUHYGLJOHENR-GJZGRUSLSA-N 1 2 395.525 3.182 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCN(c4ccc(O)cc4)CC3)co2)cc1 ZINC000152867655 1422276973 /nfs/dbraw/zinc/27/69/73/1422276973.db2.gz MDWJFNWYABZDIU-UHFFFAOYSA-N 1 2 380.404 3.278 20 5 GGBDLO COc1ccccc1COC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000179759358 1429544149 /nfs/dbraw/zinc/54/41/49/1429544149.db2.gz VHEJGIFNUMIUAX-UHFFFAOYSA-N 1 2 399.447 3.223 20 5 GGBDLO O=C(N[C@@H](CCCO)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000152906011 1422290816 /nfs/dbraw/zinc/29/08/16/1422290816.db2.gz OWDCMFFNCHULPA-KRWDZBQOSA-N 1 2 380.404 3.024 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000153350444 1422484386 /nfs/dbraw/zinc/48/43/86/1422484386.db2.gz NOAVWBDTKTYEIE-ZWKOTPCHSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000153350444 1422484397 /nfs/dbraw/zinc/48/43/97/1422484397.db2.gz NOAVWBDTKTYEIE-ZWKOTPCHSA-N 1 2 389.839 3.050 20 5 GGBDLO C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000153822501 1422779716 /nfs/dbraw/zinc/77/97/16/1422779716.db2.gz YAVSASCHQASRTO-QFBILLFUSA-N 1 2 385.468 3.407 20 5 GGBDLO C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000153822391 1422780541 /nfs/dbraw/zinc/78/05/41/1422780541.db2.gz YAVSASCHQASRTO-VQIMIIECSA-N 1 2 385.468 3.407 20 5 GGBDLO C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000153822278 1422780559 /nfs/dbraw/zinc/78/05/59/1422780559.db2.gz YAVSASCHQASRTO-LPHOPBHVSA-N 1 2 385.468 3.407 20 5 GGBDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000153897876 1422807367 /nfs/dbraw/zinc/80/73/67/1422807367.db2.gz QTCWVSPXNMLHFC-UHFFFAOYSA-N 1 2 380.828 3.260 20 5 GGBDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000153897876 1422807368 /nfs/dbraw/zinc/80/73/68/1422807368.db2.gz QTCWVSPXNMLHFC-UHFFFAOYSA-N 1 2 380.828 3.260 20 5 GGBDLO O=C(NCc1cccc(N2CC=CC2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000153976776 1422820068 /nfs/dbraw/zinc/82/00/68/1422820068.db2.gz DPZJWLHXSYUXBT-UHFFFAOYSA-N 1 2 389.415 3.087 20 5 GGBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000154038723 1422830164 /nfs/dbraw/zinc/83/01/64/1422830164.db2.gz XMDKAJZDLGKXST-UHFFFAOYSA-N 1 2 388.855 3.248 20 5 GGBDLO Cc1oc2nc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)nc(N)c2c1C ZINC000154069865 1422835533 /nfs/dbraw/zinc/83/55/33/1422835533.db2.gz SVCSKNXFFNKEIG-UHFFFAOYSA-N 1 2 397.435 3.373 20 5 GGBDLO COc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000154358666 1422877837 /nfs/dbraw/zinc/87/78/37/1422877837.db2.gz QURIAGCOVQIADS-GJZGRUSLSA-N 1 2 399.447 3.465 20 5 GGBDLO Cc1cccc(NC(=O)N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000154612485 1422962213 /nfs/dbraw/zinc/96/22/13/1422962213.db2.gz NYOVDNIGHIFWBO-UHFFFAOYSA-N 1 2 384.436 3.132 20 5 GGBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000154809932 1423041329 /nfs/dbraw/zinc/04/13/29/1423041329.db2.gz WXIYNMWHJWCUIB-UHFFFAOYSA-N 1 2 395.525 3.137 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000154876911 1423063861 /nfs/dbraw/zinc/06/38/61/1423063861.db2.gz IRXOZLSJFBGMTJ-MRXNPFEDSA-N 1 2 384.436 3.118 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000154876911 1423063871 /nfs/dbraw/zinc/06/38/71/1423063871.db2.gz IRXOZLSJFBGMTJ-MRXNPFEDSA-N 1 2 384.436 3.118 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155074110 1423146714 /nfs/dbraw/zinc/14/67/14/1423146714.db2.gz BOWZANOKOZNXCL-MRXNPFEDSA-N 1 2 384.436 3.118 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155074110 1423146724 /nfs/dbraw/zinc/14/67/24/1423146724.db2.gz BOWZANOKOZNXCL-MRXNPFEDSA-N 1 2 384.436 3.118 20 5 GGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000155171262 1423210670 /nfs/dbraw/zinc/21/06/70/1423210670.db2.gz ZLRDGRQQTNHTGF-UHFFFAOYSA-N 1 2 393.447 3.320 20 5 GGBDLO CC(C)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCC1CCCC1 ZINC000155175430 1423213626 /nfs/dbraw/zinc/21/36/26/1423213626.db2.gz RFSYCNDVFZDVKI-UHFFFAOYSA-N 1 2 386.452 3.424 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155238223 1423265597 /nfs/dbraw/zinc/26/55/97/1423265597.db2.gz MDFSGUQCJQHPMW-UHFFFAOYSA-N 1 2 376.800 3.041 20 5 GGBDLO COc1ccc(OC)c(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000155696097 1423490075 /nfs/dbraw/zinc/49/00/75/1423490075.db2.gz JBGDUPGKSXWYFD-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO COc1ccc(OC)c(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000155696097 1423490084 /nfs/dbraw/zinc/49/00/84/1423490084.db2.gz JBGDUPGKSXWYFD-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155730799 1423507706 /nfs/dbraw/zinc/50/77/06/1423507706.db2.gz YYJCFMHYMYACFA-UHFFFAOYSA-N 1 2 384.392 3.415 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155730799 1423507709 /nfs/dbraw/zinc/50/77/09/1423507709.db2.gz YYJCFMHYMYACFA-UHFFFAOYSA-N 1 2 384.392 3.415 20 5 GGBDLO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000156897828 1423882521 /nfs/dbraw/zinc/88/25/21/1423882521.db2.gz KTWQTZXQGHEDSY-INIZCTEOSA-N 1 2 380.408 3.098 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000156914963 1423885388 /nfs/dbraw/zinc/88/53/88/1423885388.db2.gz PXCBLDDQSKKGCR-UHFFFAOYSA-N 1 2 387.411 3.435 20 5 GGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000157040431 1423908840 /nfs/dbraw/zinc/90/88/40/1423908840.db2.gz ZFMLEAJXYCRJFG-CQSZACIVSA-N 1 2 392.502 3.475 20 5 GGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000157040431 1423908841 /nfs/dbraw/zinc/90/88/41/1423908841.db2.gz ZFMLEAJXYCRJFG-CQSZACIVSA-N 1 2 392.502 3.475 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000180043768 1429710658 /nfs/dbraw/zinc/71/06/58/1429710658.db2.gz CVHHHVNGZYGXMQ-QGZVFWFLSA-N 1 2 379.457 3.188 20 5 GGBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000159014392 1424395445 /nfs/dbraw/zinc/39/54/45/1424395445.db2.gz YXRQOXPHEZOKIU-UHFFFAOYSA-N 1 2 379.781 3.202 20 5 GGBDLO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000159450794 1424503724 /nfs/dbraw/zinc/50/37/24/1424503724.db2.gz UMCUYCVGQDQSDZ-HNNXBMFYSA-N 1 2 375.469 3.417 20 5 GGBDLO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000159450794 1424503728 /nfs/dbraw/zinc/50/37/28/1424503728.db2.gz UMCUYCVGQDQSDZ-HNNXBMFYSA-N 1 2 375.469 3.417 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160328217 1424595978 /nfs/dbraw/zinc/59/59/78/1424595978.db2.gz NJLQUZSVVPSVKP-LBPRGKRZSA-N 1 2 395.341 3.409 20 5 GGBDLO Cc1c(CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000160466285 1424605627 /nfs/dbraw/zinc/60/56/27/1424605627.db2.gz UDWIURFPEUZYCU-UHFFFAOYSA-N 1 2 378.432 3.049 20 5 GGBDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1[N+](=O)[O-] ZINC000160761433 1424633702 /nfs/dbraw/zinc/63/37/02/1424633702.db2.gz MJHMWSBEAXNEJD-UHFFFAOYSA-N 1 2 391.449 3.128 20 5 GGBDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1[N+](=O)[O-] ZINC000160761433 1424633713 /nfs/dbraw/zinc/63/37/13/1424633713.db2.gz MJHMWSBEAXNEJD-UHFFFAOYSA-N 1 2 391.449 3.128 20 5 GGBDLO Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1[N+](=O)[O-] ZINC000162413494 1424848221 /nfs/dbraw/zinc/84/82/21/1424848221.db2.gz UXKQDHJDDZKCPW-CQSZACIVSA-N 1 2 399.451 3.326 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000162469320 1424856360 /nfs/dbraw/zinc/85/63/60/1424856360.db2.gz JIEZYNLMHLZRGD-UHFFFAOYSA-N 1 2 384.436 3.057 20 5 GGBDLO CN(C)c1nc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2o1 ZINC000164217052 1425088029 /nfs/dbraw/zinc/08/80/29/1425088029.db2.gz RQAFAPQHQCKOOU-UHFFFAOYSA-N 1 2 392.375 3.240 20 5 GGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000164409448 1425108567 /nfs/dbraw/zinc/10/85/67/1425108567.db2.gz AXGAOUGLBMZEBM-FOIQADDNSA-N 1 2 383.448 3.367 20 5 GGBDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c2ccccc12 ZINC000170530766 1425264501 /nfs/dbraw/zinc/26/45/01/1425264501.db2.gz OUTNMPOHCQDJPW-UHFFFAOYSA-N 1 2 376.416 3.414 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000170794003 1425345093 /nfs/dbraw/zinc/34/50/93/1425345093.db2.gz VPGDBUZWIOUYLI-UHFFFAOYSA-N 1 2 376.363 3.188 20 5 GGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000171091340 1425478319 /nfs/dbraw/zinc/47/83/19/1425478319.db2.gz XSPSEJXYZIQEDB-XJKSGUPXSA-N 1 2 396.403 3.478 20 5 GGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000171091340 1425478321 /nfs/dbraw/zinc/47/83/21/1425478321.db2.gz XSPSEJXYZIQEDB-XJKSGUPXSA-N 1 2 396.403 3.478 20 5 GGBDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171103668 1425484508 /nfs/dbraw/zinc/48/45/08/1425484508.db2.gz GHVVAZVMRSYOOF-MRXNPFEDSA-N 1 2 376.363 3.269 20 5 GGBDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171103668 1425484511 /nfs/dbraw/zinc/48/45/11/1425484511.db2.gz GHVVAZVMRSYOOF-MRXNPFEDSA-N 1 2 376.363 3.269 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000171586142 1425746200 /nfs/dbraw/zinc/74/62/00/1425746200.db2.gz JZOXCGQHCCOYMT-CQSZACIVSA-N 1 2 387.411 3.262 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000171587072 1425746981 /nfs/dbraw/zinc/74/69/81/1425746981.db2.gz WSTZTUREOOCAJO-INIZCTEOSA-N 1 2 383.448 3.431 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)c1 ZINC000171587464 1425747795 /nfs/dbraw/zinc/74/77/95/1425747795.db2.gz VLWMOGHPJVTTEU-ZDUSSCGKSA-N 1 2 375.450 3.184 20 5 GGBDLO CCc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000172134362 1425910491 /nfs/dbraw/zinc/91/04/91/1425910491.db2.gz JXRPQTRPUYJLPP-UHFFFAOYSA-N 1 2 399.447 3.007 20 5 GGBDLO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172460583 1426049069 /nfs/dbraw/zinc/04/90/69/1426049069.db2.gz KHSGTIXLBZSHKU-QGZVFWFLSA-N 1 2 394.387 3.201 20 5 GGBDLO O=C(NCc1nc(C(F)(F)F)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172612120 1426112875 /nfs/dbraw/zinc/11/28/75/1426112875.db2.gz MUTPHOWRRZNIRK-UHFFFAOYSA-N 1 2 397.338 3.186 20 5 GGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000172824212 1426206065 /nfs/dbraw/zinc/20/60/65/1426206065.db2.gz ALRATPUAKFOYIT-HZPDHXFCSA-N 1 2 383.448 3.385 20 5 GGBDLO C[N@H+](CCOc1ccc(Cl)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172892037 1426242056 /nfs/dbraw/zinc/24/20/56/1426242056.db2.gz SMHIZGRHWXEZCE-UHFFFAOYSA-N 1 2 387.827 3.475 20 5 GGBDLO C[N@@H+](CCOc1ccc(Cl)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172892037 1426242064 /nfs/dbraw/zinc/24/20/64/1426242064.db2.gz SMHIZGRHWXEZCE-UHFFFAOYSA-N 1 2 387.827 3.475 20 5 GGBDLO COc1cc(C)c(C[N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1OC ZINC000172892506 1426242275 /nfs/dbraw/zinc/24/22/75/1426242275.db2.gz LESPYAFMEHWDGG-UHFFFAOYSA-N 1 2 397.435 3.268 20 5 GGBDLO COc1cc(C)c(C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1OC ZINC000172892506 1426242283 /nfs/dbraw/zinc/24/22/83/1426242283.db2.gz LESPYAFMEHWDGG-UHFFFAOYSA-N 1 2 397.435 3.268 20 5 GGBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000172991538 1426298883 /nfs/dbraw/zinc/29/88/83/1426298883.db2.gz RCAOAKKKHPBDOY-UHFFFAOYSA-N 1 2 382.376 3.091 20 5 GGBDLO CCc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000173342589 1426522290 /nfs/dbraw/zinc/52/22/90/1426522290.db2.gz VZSHCLACEPGPKX-UHFFFAOYSA-N 1 2 382.464 3.157 20 5 GGBDLO Cc1csc([C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000173399446 1426581059 /nfs/dbraw/zinc/58/10/59/1426581059.db2.gz XUMPYVBAPJUWFK-MRXNPFEDSA-N 1 2 383.433 3.427 20 5 GGBDLO O=C1C[C@@H](c2ccccc2)N1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173434754 1426616124 /nfs/dbraw/zinc/61/61/24/1426616124.db2.gz HVVJACDPGWCFFM-FQEVSTJZSA-N 1 2 381.432 3.369 20 5 GGBDLO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000173462248 1426635673 /nfs/dbraw/zinc/63/56/73/1426635673.db2.gz QONJMKULPXVKRL-MRXNPFEDSA-N 1 2 383.452 3.040 20 5 GGBDLO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000173462248 1426635685 /nfs/dbraw/zinc/63/56/85/1426635685.db2.gz QONJMKULPXVKRL-MRXNPFEDSA-N 1 2 383.452 3.040 20 5 GGBDLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462207 1426635724 /nfs/dbraw/zinc/63/57/24/1426635724.db2.gz UIVQQQVJQXGZTC-AWEZNQCLSA-N 1 2 389.843 3.077 20 5 GGBDLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462207 1426635734 /nfs/dbraw/zinc/63/57/34/1426635734.db2.gz UIVQQQVJQXGZTC-AWEZNQCLSA-N 1 2 389.843 3.077 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000173465362 1426639578 /nfs/dbraw/zinc/63/95/78/1426639578.db2.gz GODUWGDBMKPUEP-GFCCVEGCSA-N 1 2 377.788 3.238 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000173465362 1426639583 /nfs/dbraw/zinc/63/95/83/1426639583.db2.gz GODUWGDBMKPUEP-GFCCVEGCSA-N 1 2 377.788 3.238 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000173466069 1426641090 /nfs/dbraw/zinc/64/10/90/1426641090.db2.gz SIKLDKNHNZZDCM-ZDUSSCGKSA-N 1 2 382.449 3.195 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000173466069 1426641099 /nfs/dbraw/zinc/64/10/99/1426641099.db2.gz SIKLDKNHNZZDCM-ZDUSSCGKSA-N 1 2 382.449 3.195 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000173466892 1426642363 /nfs/dbraw/zinc/64/23/63/1426642363.db2.gz QSSHUPDMBXPNTC-CYBMUJFWSA-N 1 2 377.788 3.238 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000173466892 1426642369 /nfs/dbraw/zinc/64/23/69/1426642369.db2.gz QSSHUPDMBXPNTC-CYBMUJFWSA-N 1 2 377.788 3.238 20 5 GGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000173524255 1426697364 /nfs/dbraw/zinc/69/73/64/1426697364.db2.gz JJJYSYLLCMXPNG-GFCCVEGCSA-N 1 2 382.351 3.347 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000173690214 1426822003 /nfs/dbraw/zinc/82/20/03/1426822003.db2.gz GVPYKOOQLPDIFR-QGZVFWFLSA-N 1 2 398.444 3.092 20 5 GGBDLO CCc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000174031437 1426955058 /nfs/dbraw/zinc/95/50/58/1426955058.db2.gz RFLYOIDIMHFINM-UHFFFAOYSA-N 1 2 397.479 3.341 20 5 GGBDLO CCN(CC1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1)C(=O)OC(C)(C)C ZINC000174094554 1427000401 /nfs/dbraw/zinc/00/04/01/1427000401.db2.gz LFTIQDIGLVAJBQ-UHFFFAOYSA-N 1 2 395.504 3.335 20 5 GGBDLO Cc1cccc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000174189766 1427041034 /nfs/dbraw/zinc/04/10/34/1427041034.db2.gz JOJYCTVYZXJIIB-UHFFFAOYSA-N 1 2 382.464 3.368 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174190957 1427042072 /nfs/dbraw/zinc/04/20/72/1427042072.db2.gz KFRSYYWQTGOEMB-UHFFFAOYSA-N 1 2 382.464 3.368 20 5 GGBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000174361619 1427120049 /nfs/dbraw/zinc/12/00/49/1427120049.db2.gz CFXZXBJBPYLIGP-ZDUSSCGKSA-N 1 2 384.367 3.117 20 5 GGBDLO COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174571974 1427232028 /nfs/dbraw/zinc/23/20/28/1427232028.db2.gz ZDDGBCFQUMRZMY-OAHLLOKOSA-N 1 2 394.431 3.492 20 5 GGBDLO COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174571965 1427232524 /nfs/dbraw/zinc/23/25/24/1427232524.db2.gz ZDDGBCFQUMRZMY-HNNXBMFYSA-N 1 2 394.431 3.492 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000175094567 1427543410 /nfs/dbraw/zinc/54/34/10/1427543410.db2.gz ZMWHEJQMFPNOLM-UHFFFAOYSA-N 1 2 393.465 3.053 20 5 GGBDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175415535 1427742546 /nfs/dbraw/zinc/74/25/46/1427742546.db2.gz RCQXSGKDQDXIPY-QWVSSGJLSA-N 1 2 390.461 3.392 20 5 GGBDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175415535 1427742555 /nfs/dbraw/zinc/74/25/55/1427742555.db2.gz RCQXSGKDQDXIPY-QWVSSGJLSA-N 1 2 390.461 3.392 20 5 GGBDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000175510378 1427797869 /nfs/dbraw/zinc/79/78/69/1427797869.db2.gz UYVJJEMGUIYRAL-HXUWFJFHSA-N 1 2 391.431 3.018 20 5 GGBDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000175510378 1427797885 /nfs/dbraw/zinc/79/78/85/1427797885.db2.gz UYVJJEMGUIYRAL-HXUWFJFHSA-N 1 2 391.431 3.018 20 5 GGBDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000175510401 1427798190 /nfs/dbraw/zinc/79/81/90/1427798190.db2.gz UYVJJEMGUIYRAL-FQEVSTJZSA-N 1 2 391.431 3.018 20 5 GGBDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000175510401 1427798199 /nfs/dbraw/zinc/79/81/99/1427798199.db2.gz UYVJJEMGUIYRAL-FQEVSTJZSA-N 1 2 391.431 3.018 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+]2CCSC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000175964388 1428002444 /nfs/dbraw/zinc/00/24/44/1428002444.db2.gz WCUGNMDNGJXBDG-UHFFFAOYSA-N 1 2 379.482 3.294 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+]2CCSC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000175964388 1428002452 /nfs/dbraw/zinc/00/24/52/1428002452.db2.gz WCUGNMDNGJXBDG-UHFFFAOYSA-N 1 2 379.482 3.294 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000176245051 1428191357 /nfs/dbraw/zinc/19/13/57/1428191357.db2.gz GLJLSJBKYHPPCC-UHFFFAOYSA-N 1 2 397.475 3.271 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180175688 1429781994 /nfs/dbraw/zinc/78/19/94/1429781994.db2.gz LECRMMDQEIMSTI-UHFFFAOYSA-N 1 2 392.362 3.121 20 5 GGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000180263794 1429818161 /nfs/dbraw/zinc/81/81/61/1429818161.db2.gz HRIZNTZXDYOVDB-CQSZACIVSA-N 1 2 386.477 3.499 20 5 GGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000180263812 1429818195 /nfs/dbraw/zinc/81/81/95/1429818195.db2.gz HRIZNTZXDYOVDB-AWEZNQCLSA-N 1 2 386.477 3.499 20 5 GGBDLO COc1cc(NC(=O)C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000180499690 1429883471 /nfs/dbraw/zinc/88/34/71/1429883471.db2.gz JLRTZANYXNRNOF-SOFGYWHQSA-N 1 2 385.420 3.196 20 5 GGBDLO COc1cc(NC(=O)C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000180499690 1429883472 /nfs/dbraw/zinc/88/34/72/1429883472.db2.gz JLRTZANYXNRNOF-SOFGYWHQSA-N 1 2 385.420 3.196 20 5 GGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000180713611 1429994686 /nfs/dbraw/zinc/99/46/86/1429994686.db2.gz CZPKDCIIVPMDNW-UHFFFAOYSA-N 1 2 375.450 3.428 20 5 GGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000180713611 1429994693 /nfs/dbraw/zinc/99/46/93/1429994693.db2.gz CZPKDCIIVPMDNW-UHFFFAOYSA-N 1 2 375.450 3.428 20 5 GGBDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000180833105 1430062104 /nfs/dbraw/zinc/06/21/04/1430062104.db2.gz IWSWVKVZXQKBNF-ZDUSSCGKSA-N 1 2 397.401 3.064 20 5 GGBDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000180833105 1430062108 /nfs/dbraw/zinc/06/21/08/1430062108.db2.gz IWSWVKVZXQKBNF-ZDUSSCGKSA-N 1 2 397.401 3.064 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000180833085 1430062269 /nfs/dbraw/zinc/06/22/69/1430062269.db2.gz IWSWVKVZXQKBNF-CYBMUJFWSA-N 1 2 397.401 3.064 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000180833085 1430062274 /nfs/dbraw/zinc/06/22/74/1430062274.db2.gz IWSWVKVZXQKBNF-CYBMUJFWSA-N 1 2 397.401 3.064 20 5 GGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180892977 1430094121 /nfs/dbraw/zinc/09/41/21/1430094121.db2.gz YSTHFRUUMKITME-UHFFFAOYSA-N 1 2 397.403 3.046 20 5 GGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180892977 1430094128 /nfs/dbraw/zinc/09/41/28/1430094128.db2.gz YSTHFRUUMKITME-UHFFFAOYSA-N 1 2 397.403 3.046 20 5 GGBDLO COc1cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180908918 1430103454 /nfs/dbraw/zinc/10/34/54/1430103454.db2.gz JLEQYALVNHTSNR-LLVKDONJSA-N 1 2 384.383 3.174 20 5 GGBDLO COc1cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180908918 1430103465 /nfs/dbraw/zinc/10/34/65/1430103465.db2.gz JLEQYALVNHTSNR-LLVKDONJSA-N 1 2 384.383 3.174 20 5 GGBDLO CC[C@H](C)Oc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000181434064 1430298150 /nfs/dbraw/zinc/29/81/50/1430298150.db2.gz YDTHZEAVXLZTHL-AWEZNQCLSA-N 1 2 395.419 3.283 20 5 GGBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000181482171 1430308082 /nfs/dbraw/zinc/30/80/82/1430308082.db2.gz WGVGEFXZGMHVRJ-UHFFFAOYSA-N 1 2 395.525 3.278 20 5 GGBDLO COc1cc2nc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC ZINC000181815264 1430366102 /nfs/dbraw/zinc/36/61/02/1430366102.db2.gz NUCGNBYSQRNWKR-LBPRGKRZSA-N 1 2 398.419 3.008 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000182054996 1430403116 /nfs/dbraw/zinc/40/31/16/1430403116.db2.gz HJWKYHROQWZSLF-AVRDEDQJSA-N 1 2 393.443 3.241 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000182054996 1430403117 /nfs/dbraw/zinc/40/31/17/1430403117.db2.gz HJWKYHROQWZSLF-AVRDEDQJSA-N 1 2 393.443 3.241 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000182082759 1430408222 /nfs/dbraw/zinc/40/82/22/1430408222.db2.gz UENJCEXVVPKNIS-YJBOKZPZSA-N 1 2 385.445 3.170 20 5 GGBDLO COc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182200166 1430428762 /nfs/dbraw/zinc/42/87/62/1430428762.db2.gz FMHVYZALNXDCQE-IBGZPJMESA-N 1 2 390.461 3.214 20 5 GGBDLO COc1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182200166 1430428766 /nfs/dbraw/zinc/42/87/66/1430428766.db2.gz FMHVYZALNXDCQE-IBGZPJMESA-N 1 2 390.461 3.214 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000182201417 1430429138 /nfs/dbraw/zinc/42/91/38/1430429138.db2.gz ZFASBKGDTPPEGD-KRWDZBQOSA-N 1 2 383.404 3.025 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000182201417 1430429140 /nfs/dbraw/zinc/42/91/40/1430429140.db2.gz ZFASBKGDTPPEGD-KRWDZBQOSA-N 1 2 383.404 3.025 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000182201396 1430429150 /nfs/dbraw/zinc/42/91/50/1430429150.db2.gz ZFASBKGDTPPEGD-QGZVFWFLSA-N 1 2 383.404 3.025 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000182201396 1430429151 /nfs/dbraw/zinc/42/91/51/1430429151.db2.gz ZFASBKGDTPPEGD-QGZVFWFLSA-N 1 2 383.404 3.025 20 5 GGBDLO COc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182203459 1430429565 /nfs/dbraw/zinc/42/95/65/1430429565.db2.gz YZANRKOHUREDPF-AWEZNQCLSA-N 1 2 378.450 3.070 20 5 GGBDLO COc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182203459 1430429567 /nfs/dbraw/zinc/42/95/67/1430429567.db2.gz YZANRKOHUREDPF-AWEZNQCLSA-N 1 2 378.450 3.070 20 5 GGBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000182527612 1430483934 /nfs/dbraw/zinc/48/39/34/1430483934.db2.gz HZYCDLBMYBGZGW-GFCCVEGCSA-N 1 2 381.392 3.454 20 5 GGBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000182544349 1430487668 /nfs/dbraw/zinc/48/76/68/1430487668.db2.gz FBFWKGWDODQERD-GFCCVEGCSA-N 1 2 381.392 3.454 20 5 GGBDLO COc1cccc(CC(=O)N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182694764 1430519490 /nfs/dbraw/zinc/51/94/90/1430519490.db2.gz QSVCOMPURLPJFA-QGZVFWFLSA-N 1 2 397.475 3.360 20 5 GGBDLO CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182962047 1430581318 /nfs/dbraw/zinc/58/13/18/1430581318.db2.gz GBEAVQGANISLNK-UHFFFAOYSA-N 1 2 390.321 3.470 20 5 GGBDLO C[S@@](=O)C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000183139880 1430626998 /nfs/dbraw/zinc/62/69/98/1430626998.db2.gz LWMQDZKUDWWXTG-DNOBIOAJSA-N 1 2 385.445 3.459 20 5 GGBDLO C[S@@](=O)C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000183139842 1430627079 /nfs/dbraw/zinc/62/70/79/1430627079.db2.gz LWMQDZKUDWWXTG-XRHLQHRESA-N 1 2 385.445 3.459 20 5 GGBDLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183240495 1430657688 /nfs/dbraw/zinc/65/76/88/1430657688.db2.gz OJXVQSFCKXENQA-GFCCVEGCSA-N 1 2 386.358 3.479 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)n2)c1 ZINC000183387057 1430697655 /nfs/dbraw/zinc/69/76/55/1430697655.db2.gz LNMODCIDAQZMGE-KRWDZBQOSA-N 1 2 384.367 3.437 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](Oc4cccc(F)c4)C3)n2)c1 ZINC000183387057 1430697659 /nfs/dbraw/zinc/69/76/59/1430697659.db2.gz LNMODCIDAQZMGE-KRWDZBQOSA-N 1 2 384.367 3.437 20 5 GGBDLO Cn1c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000183386625 1430697794 /nfs/dbraw/zinc/69/77/94/1430697794.db2.gz XQMOHZJOMCHVQT-UHFFFAOYSA-N 1 2 386.433 3.301 20 5 GGBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000183626747 1430758092 /nfs/dbraw/zinc/75/80/92/1430758092.db2.gz VHDBVCBLVNSNJA-UHFFFAOYSA-N 1 2 391.374 3.154 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183969661 1430820510 /nfs/dbraw/zinc/82/05/10/1430820510.db2.gz RAHPIQGADYOGDN-UHFFFAOYSA-N 1 2 375.375 3.490 20 5 GGBDLO COc1ccc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c([N+](=O)[O-])c1 ZINC000184149606 1430847538 /nfs/dbraw/zinc/84/75/38/1430847538.db2.gz HLYZRWFEDRKNCM-INIZCTEOSA-N 1 2 391.424 3.138 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184185765 1430853082 /nfs/dbraw/zinc/85/30/82/1430853082.db2.gz IHHHKFQCQXCPKZ-KRWDZBQOSA-N 1 2 375.425 3.438 20 5 GGBDLO COc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000184231561 1430859849 /nfs/dbraw/zinc/85/98/49/1430859849.db2.gz VDGLDGZZNFLVQW-UHFFFAOYSA-N 1 2 387.411 3.137 20 5 GGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)O1 ZINC000184279436 1430866906 /nfs/dbraw/zinc/86/69/06/1430866906.db2.gz PTRXLKGEBZHWQP-KBPBESRZSA-N 1 2 384.436 3.039 20 5 GGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H](C)O1 ZINC000184279453 1430867000 /nfs/dbraw/zinc/86/70/00/1430867000.db2.gz PTRXLKGEBZHWQP-ZIAGYGMSSA-N 1 2 384.436 3.039 20 5 GGBDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000184467471 1430890836 /nfs/dbraw/zinc/89/08/36/1430890836.db2.gz MVDQQVRSIUZZDZ-CQSZACIVSA-N 1 2 388.424 3.199 20 5 GGBDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000184467471 1430890837 /nfs/dbraw/zinc/89/08/37/1430890837.db2.gz MVDQQVRSIUZZDZ-CQSZACIVSA-N 1 2 388.424 3.199 20 5 GGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000184483469 1430893010 /nfs/dbraw/zinc/89/30/10/1430893010.db2.gz DJZRMHHVGLRPMP-UHFFFAOYSA-N 1 2 385.811 3.433 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCSC)c1nnc2ccccn21 ZINC000184605262 1430916792 /nfs/dbraw/zinc/91/67/92/1430916792.db2.gz QRZQBFFTRCZJGJ-HNNXBMFYSA-N 1 2 387.465 3.230 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184605173 1430916979 /nfs/dbraw/zinc/91/69/79/1430916979.db2.gz UFVBYPBDJUSOSG-HXUWFJFHSA-N 1 2 397.410 3.094 20 5 GGBDLO Cc1cc(N2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000184661520 1430933581 /nfs/dbraw/zinc/93/35/81/1430933581.db2.gz VNYYTXBOFXGLSL-UHFFFAOYSA-N 1 2 383.452 3.087 20 5 GGBDLO O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000184767254 1430970846 /nfs/dbraw/zinc/97/08/46/1430970846.db2.gz UKJLNIPQZBAWJM-UHFFFAOYSA-N 1 2 386.751 3.415 20 5 GGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000184792355 1430978842 /nfs/dbraw/zinc/97/88/42/1430978842.db2.gz CYJRTTFJMWXPII-IEBWSBKVSA-N 1 2 396.491 3.464 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000184822354 1430991041 /nfs/dbraw/zinc/99/10/41/1430991041.db2.gz IWHQAOWWZRPHDS-XLIONFOSSA-N 1 2 395.459 3.427 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000184822354 1430991053 /nfs/dbraw/zinc/99/10/53/1430991053.db2.gz IWHQAOWWZRPHDS-XLIONFOSSA-N 1 2 395.459 3.427 20 5 GGBDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000184832161 1430995887 /nfs/dbraw/zinc/99/58/87/1430995887.db2.gz QWSNFRWIUXTCAB-WBMJQRKESA-N 1 2 391.424 3.063 20 5 GGBDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000184832633 1430996491 /nfs/dbraw/zinc/99/64/91/1430996491.db2.gz PLGSFTPJYBDESX-CZUORRHYSA-N 1 2 375.425 3.363 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185028781 1431044808 /nfs/dbraw/zinc/04/48/08/1431044808.db2.gz LSBZFYMALOCBOM-GFCCVEGCSA-N 1 2 388.399 3.016 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185204752 1431084547 /nfs/dbraw/zinc/08/45/47/1431084547.db2.gz ZBUGIDJBEILGJA-GFCCVEGCSA-N 1 2 375.429 3.263 20 5 GGBDLO O=C(C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000185314715 1431110364 /nfs/dbraw/zinc/11/03/64/1431110364.db2.gz FFYIVGFQKVKWCP-AWEZNQCLSA-N 1 2 387.386 3.252 20 5 GGBDLO O=C(C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000185314715 1431110370 /nfs/dbraw/zinc/11/03/70/1431110370.db2.gz FFYIVGFQKVKWCP-AWEZNQCLSA-N 1 2 387.386 3.252 20 5 GGBDLO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000185410975 1431138826 /nfs/dbraw/zinc/13/88/26/1431138826.db2.gz KLBXKFSSHSZKKU-AWEZNQCLSA-N 1 2 395.419 3.248 20 5 GGBDLO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185411857 1431138954 /nfs/dbraw/zinc/13/89/54/1431138954.db2.gz HRVCJFPLDNCODJ-DJJJIMSYSA-N 1 2 397.410 3.174 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186600039 1431465155 /nfs/dbraw/zinc/46/51/55/1431465155.db2.gz GJGPSGYFGLSNKT-LHSJRXKWSA-N 1 2 397.431 3.062 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186600039 1431465160 /nfs/dbraw/zinc/46/51/60/1431465160.db2.gz GJGPSGYFGLSNKT-LHSJRXKWSA-N 1 2 397.431 3.062 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186676781 1431489696 /nfs/dbraw/zinc/48/96/96/1431489696.db2.gz FXOXBGFJHPIRCR-LHSJRXKWSA-N 1 2 397.431 3.062 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186676781 1431489701 /nfs/dbraw/zinc/48/97/01/1431489701.db2.gz FXOXBGFJHPIRCR-LHSJRXKWSA-N 1 2 397.431 3.062 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000186819668 1431527919 /nfs/dbraw/zinc/52/79/19/1431527919.db2.gz YHTQRDIDXJHKEF-XPGWFJOJSA-N 1 2 383.448 3.286 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000186819668 1431527933 /nfs/dbraw/zinc/52/79/33/1431527933.db2.gz YHTQRDIDXJHKEF-XPGWFJOJSA-N 1 2 383.448 3.286 20 5 GGBDLO COCC1=CC[N@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000187618212 1431780406 /nfs/dbraw/zinc/78/04/06/1431780406.db2.gz ACROEZZIEJQBIY-UHFFFAOYSA-N 1 2 390.358 3.323 20 5 GGBDLO COCC1=CC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000187618212 1431780411 /nfs/dbraw/zinc/78/04/11/1431780411.db2.gz ACROEZZIEJQBIY-UHFFFAOYSA-N 1 2 390.358 3.323 20 5 GGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000188618445 1431904030 /nfs/dbraw/zinc/90/40/30/1431904030.db2.gz KPBXUKBRJHZJKJ-LJQANCHMSA-N 1 2 389.402 3.496 20 5 GGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000188618445 1431904054 /nfs/dbraw/zinc/90/40/54/1431904054.db2.gz KPBXUKBRJHZJKJ-LJQANCHMSA-N 1 2 389.402 3.496 20 5 GGBDLO CCOC(=O)c1c(C)oc2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)nc(N)c21 ZINC000189159351 1432054759 /nfs/dbraw/zinc/05/47/59/1432054759.db2.gz CUJDNRROQMQCCI-SNVBAGLBSA-N 1 2 399.407 3.049 20 5 GGBDLO COc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc([N+](=O)[O-])c1C ZINC000189959068 1432289341 /nfs/dbraw/zinc/28/93/41/1432289341.db2.gz WPGVHUFJCBLXHC-UHFFFAOYSA-N 1 2 396.403 3.440 20 5 GGBDLO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@H]1C(F)(F)F ZINC000190196612 1432338548 /nfs/dbraw/zinc/33/85/48/1432338548.db2.gz WHRVMGRQVRLFNT-OAHLLOKOSA-N 1 2 385.386 3.394 20 5 GGBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@H]1C(F)(F)F ZINC000190196612 1432338550 /nfs/dbraw/zinc/33/85/50/1432338550.db2.gz WHRVMGRQVRLFNT-OAHLLOKOSA-N 1 2 385.386 3.394 20 5 GGBDLO O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000190215391 1432342665 /nfs/dbraw/zinc/34/26/65/1432342665.db2.gz GQAVRZBRLOSJBV-PXNSSMCTSA-N 1 2 392.415 3.288 20 5 GGBDLO O=C(N[C@H]1CCCc2c(O)cccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000190281693 1432352820 /nfs/dbraw/zinc/35/28/20/1432352820.db2.gz GZFAGFWDISJQFB-INIZCTEOSA-N 1 2 378.388 3.294 20 5 GGBDLO COc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc([N+](=O)[O-])c1C ZINC000190293853 1432355286 /nfs/dbraw/zinc/35/52/86/1432355286.db2.gz NDPSHDJHRPLLGE-AWEZNQCLSA-N 1 2 389.477 3.492 20 5 GGBDLO COc1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c([N+](=O)[O-])cc1F ZINC000190512845 1432395723 /nfs/dbraw/zinc/39/57/23/1432395723.db2.gz CZBQTFPEMQRUKD-UHFFFAOYSA-N 1 2 379.363 3.320 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000190973418 1432541160 /nfs/dbraw/zinc/54/11/60/1432541160.db2.gz UQMLNTAFWXYHDN-CQSZACIVSA-N 1 2 391.468 3.354 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCCC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000190973418 1432541164 /nfs/dbraw/zinc/54/11/64/1432541164.db2.gz UQMLNTAFWXYHDN-CQSZACIVSA-N 1 2 391.468 3.354 20 5 GGBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000191644611 1432699241 /nfs/dbraw/zinc/69/92/41/1432699241.db2.gz NHKYWWGVIWKJSA-UHFFFAOYSA-N 1 2 384.436 3.207 20 5 GGBDLO Cc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000191763721 1432720648 /nfs/dbraw/zinc/72/06/48/1432720648.db2.gz ITKYKOCRNOZYCE-UHFFFAOYSA-N 1 2 377.466 3.382 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000192250248 1432822831 /nfs/dbraw/zinc/82/28/31/1432822831.db2.gz ZQDHYBONQKZVQQ-UHFFFAOYSA-N 1 2 383.452 3.316 20 5 GGBDLO Cc1cc(=O)oc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc12 ZINC000192616444 1432866747 /nfs/dbraw/zinc/86/67/47/1432866747.db2.gz XCRUDRGVOVMBLP-UHFFFAOYSA-N 1 2 390.355 3.448 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000192733525 1432882044 /nfs/dbraw/zinc/88/20/44/1432882044.db2.gz YAMVGIFDDAXBOC-HOTGVXAUSA-N 1 2 393.875 3.257 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000192733525 1432882046 /nfs/dbraw/zinc/88/20/46/1432882046.db2.gz YAMVGIFDDAXBOC-HOTGVXAUSA-N 1 2 393.875 3.257 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000192733542 1432882108 /nfs/dbraw/zinc/88/21/08/1432882108.db2.gz YAMVGIFDDAXBOC-JKSUJKDBSA-N 1 2 393.875 3.257 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000192733542 1432882111 /nfs/dbraw/zinc/88/21/11/1432882111.db2.gz YAMVGIFDDAXBOC-JKSUJKDBSA-N 1 2 393.875 3.257 20 5 GGBDLO CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000193312363 1432977647 /nfs/dbraw/zinc/97/76/47/1432977647.db2.gz JMXNDSGMEHKHID-UHFFFAOYSA-N 1 2 399.794 3.046 20 5 GGBDLO Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000193611001 1433028520 /nfs/dbraw/zinc/02/85/20/1433028520.db2.gz FXSLPXZBVLPYQT-UHFFFAOYSA-N 1 2 384.436 3.057 20 5 GGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3cccc(Cn4cc[nH+]c4)c3)cc2N1 ZINC000193841476 1433070889 /nfs/dbraw/zinc/07/08/89/1433070889.db2.gz DANUTIYKFSRZLR-UHFFFAOYSA-N 1 2 377.404 3.336 20 5 GGBDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193876670 1433076924 /nfs/dbraw/zinc/07/69/24/1433076924.db2.gz HIGWQBUDHOELLN-UHFFFAOYSA-N 1 2 386.408 3.227 20 5 GGBDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193876670 1433076926 /nfs/dbraw/zinc/07/69/26/1433076926.db2.gz HIGWQBUDHOELLN-UHFFFAOYSA-N 1 2 386.408 3.227 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C ZINC000194621309 1433206854 /nfs/dbraw/zinc/20/68/54/1433206854.db2.gz URRGCYPUZOIUGL-UHFFFAOYSA-N 1 2 399.856 3.089 20 5 GGBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000195061462 1433286914 /nfs/dbraw/zinc/28/69/14/1433286914.db2.gz NAGJKSYXQYVSAW-AEFFLSMTSA-N 1 2 385.445 3.170 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195317180 1433318382 /nfs/dbraw/zinc/31/83/82/1433318382.db2.gz YVYLUNAPHKALOC-AWEZNQCLSA-N 1 2 391.468 3.354 20 5 GGBDLO Cc1cc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000195661856 1433343810 /nfs/dbraw/zinc/34/38/10/1433343810.db2.gz CIVRQTMKXIQSKU-UHFFFAOYSA-N 1 2 384.436 3.132 20 5 GGBDLO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3nnc4n3CCC4)o2)c([N+](=O)[O-])c1 ZINC000237426270 1433402541 /nfs/dbraw/zinc/40/25/41/1433402541.db2.gz TYQMGDQHSUMXBC-GFCCVEGCSA-N 1 2 383.408 3.252 20 5 GGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245400258 1433460369 /nfs/dbraw/zinc/46/03/69/1433460369.db2.gz XSPSEJXYZIQEDB-BBRMVZONSA-N 1 2 396.403 3.478 20 5 GGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245400258 1433460370 /nfs/dbraw/zinc/46/03/70/1433460370.db2.gz XSPSEJXYZIQEDB-BBRMVZONSA-N 1 2 396.403 3.478 20 5 GGBDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245448784 1433469569 /nfs/dbraw/zinc/46/95/69/1433469569.db2.gz NDJYCYBLDDAOIO-GDBMZVCRSA-N 1 2 394.435 3.211 20 5 GGBDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245448784 1433469571 /nfs/dbraw/zinc/46/95/71/1433469571.db2.gz NDJYCYBLDDAOIO-GDBMZVCRSA-N 1 2 394.435 3.211 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245458149 1433472051 /nfs/dbraw/zinc/47/20/51/1433472051.db2.gz CNTCJJVEIUXSBK-PGGUUEOZSA-N 1 2 389.477 3.272 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245458149 1433472053 /nfs/dbraw/zinc/47/20/53/1433472053.db2.gz CNTCJJVEIUXSBK-PGGUUEOZSA-N 1 2 389.477 3.272 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246064584 1433563807 /nfs/dbraw/zinc/56/38/07/1433563807.db2.gz BNLQWECCHLCBBH-NVXWUHKLSA-N 1 2 379.482 3.292 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246064584 1433563812 /nfs/dbraw/zinc/56/38/12/1433563812.db2.gz BNLQWECCHLCBBH-NVXWUHKLSA-N 1 2 379.482 3.292 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CO)C1 ZINC000246260493 1433587461 /nfs/dbraw/zinc/58/74/61/1433587461.db2.gz GFMHYBZXABMEJT-FZKQIMNGSA-N 1 2 389.839 3.242 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CO)C1 ZINC000246260493 1433587463 /nfs/dbraw/zinc/58/74/63/1433587463.db2.gz GFMHYBZXABMEJT-FZKQIMNGSA-N 1 2 389.839 3.242 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000246563875 1433631784 /nfs/dbraw/zinc/63/17/84/1433631784.db2.gz UYSDDKDHUKABSX-GDBMZVCRSA-N 1 2 379.457 3.067 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000246563875 1433631787 /nfs/dbraw/zinc/63/17/87/1433631787.db2.gz UYSDDKDHUKABSX-GDBMZVCRSA-N 1 2 379.457 3.067 20 5 GGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000246894236 1433684128 /nfs/dbraw/zinc/68/41/28/1433684128.db2.gz FJAKYAUYROHOIG-QWHCGFSZSA-N 1 2 390.465 3.156 20 5 GGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCCO[C@@H](C)C1 ZINC000246894236 1433684131 /nfs/dbraw/zinc/68/41/31/1433684131.db2.gz FJAKYAUYROHOIG-QWHCGFSZSA-N 1 2 390.465 3.156 20 5 GGBDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1c1ccccc1 ZINC000247391361 1433716250 /nfs/dbraw/zinc/71/62/50/1433716250.db2.gz GSGUSBJMLBYIKQ-IQVOZAENSA-N 1 2 394.431 3.012 20 5 GGBDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@H]1c1ccccc1 ZINC000247391361 1433716257 /nfs/dbraw/zinc/71/62/57/1433716257.db2.gz GSGUSBJMLBYIKQ-IQVOZAENSA-N 1 2 394.431 3.012 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000247548772 1433736099 /nfs/dbraw/zinc/73/60/99/1433736099.db2.gz PSBGHSZZZNZMEM-BLIXFSHQSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000247548772 1433736107 /nfs/dbraw/zinc/73/61/07/1433736107.db2.gz PSBGHSZZZNZMEM-BLIXFSHQSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000247662274 1433744584 /nfs/dbraw/zinc/74/45/84/1433744584.db2.gz QCEKJCTXGIVJGE-BZNIZROVSA-N 1 2 398.872 3.025 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248681920 1433815001 /nfs/dbraw/zinc/81/50/01/1433815001.db2.gz FXOXBGFJHPIRCR-SZNDQCEHSA-N 1 2 397.431 3.062 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248681920 1433815002 /nfs/dbraw/zinc/81/50/02/1433815002.db2.gz FXOXBGFJHPIRCR-SZNDQCEHSA-N 1 2 397.431 3.062 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248681918 1433815007 /nfs/dbraw/zinc/81/50/07/1433815007.db2.gz FXOXBGFJHPIRCR-QKKBWIMNSA-N 1 2 397.431 3.062 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248681918 1433815008 /nfs/dbraw/zinc/81/50/08/1433815008.db2.gz FXOXBGFJHPIRCR-QKKBWIMNSA-N 1 2 397.431 3.062 20 5 GGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000248903401 1433828614 /nfs/dbraw/zinc/82/86/14/1433828614.db2.gz NYHATMAHQRFMKY-BLLLJJGKSA-N 1 2 375.450 3.349 20 5 GGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000248903401 1433828615 /nfs/dbraw/zinc/82/86/15/1433828615.db2.gz NYHATMAHQRFMKY-BLLLJJGKSA-N 1 2 375.450 3.349 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249601263 1433847841 /nfs/dbraw/zinc/84/78/41/1433847841.db2.gz YHTQRDIDXJHKEF-YSSFQJQWSA-N 1 2 383.448 3.286 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249601263 1433847843 /nfs/dbraw/zinc/84/78/43/1433847843.db2.gz YHTQRDIDXJHKEF-YSSFQJQWSA-N 1 2 383.448 3.286 20 5 GGBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263507019 1434009849 /nfs/dbraw/zinc/00/98/49/1434009849.db2.gz MIOIJNFQELYEAP-UHFFFAOYSA-N 1 2 387.436 3.226 20 5 GGBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263507019 1434009851 /nfs/dbraw/zinc/00/98/51/1434009851.db2.gz MIOIJNFQELYEAP-UHFFFAOYSA-N 1 2 387.436 3.226 20 5 GGBDLO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263531182 1434011990 /nfs/dbraw/zinc/01/19/90/1434011990.db2.gz WOHXGBTXHMQJEV-UHFFFAOYSA-N 1 2 399.447 3.272 20 5 GGBDLO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263531182 1434011993 /nfs/dbraw/zinc/01/19/93/1434011993.db2.gz WOHXGBTXHMQJEV-UHFFFAOYSA-N 1 2 399.447 3.272 20 5 GGBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1OCCc2ccccc21 ZINC000263667856 1434017780 /nfs/dbraw/zinc/01/77/80/1434017780.db2.gz FTHUDOJSVXOAMH-SFHVURJKSA-N 1 2 380.404 3.391 20 5 GGBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1OCCc2ccccc21 ZINC000263667856 1434017783 /nfs/dbraw/zinc/01/77/83/1434017783.db2.gz FTHUDOJSVXOAMH-SFHVURJKSA-N 1 2 380.404 3.391 20 5 GGBDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000263877376 1434044801 /nfs/dbraw/zinc/04/48/01/1434044801.db2.gz JMICTXMDNKXBTG-UHFFFAOYSA-N 1 2 388.424 3.199 20 5 GGBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263957507 1434053502 /nfs/dbraw/zinc/05/35/02/1434053502.db2.gz UEWUMSDDKCAIQM-CYBMUJFWSA-N 1 2 383.433 3.461 20 5 GGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCCNc2cccc[nH+]2)cc1OC ZINC000264119377 1434073521 /nfs/dbraw/zinc/07/35/21/1434073521.db2.gz DXKQEIXNROLVCW-UHFFFAOYSA-N 1 2 388.424 3.019 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](c4nccs4)C3)o2)c1 ZINC000264167923 1434077780 /nfs/dbraw/zinc/07/77/80/1434077780.db2.gz HKMOVVFWMHPUJR-INIZCTEOSA-N 1 2 386.433 3.322 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](c4nccs4)C3)o2)c1 ZINC000264167923 1434077783 /nfs/dbraw/zinc/07/77/83/1434077783.db2.gz HKMOVVFWMHPUJR-INIZCTEOSA-N 1 2 386.433 3.322 20 5 GGBDLO C[C@H](c1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000264264890 1434089529 /nfs/dbraw/zinc/08/95/29/1434089529.db2.gz SMESREYCBCXITK-MRXNPFEDSA-N 1 2 398.463 3.352 20 5 GGBDLO COc1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000264292036 1434093437 /nfs/dbraw/zinc/09/34/37/1434093437.db2.gz WANIKMCBGTZOCK-AWEZNQCLSA-N 1 2 385.420 3.249 20 5 GGBDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000264441787 1434113195 /nfs/dbraw/zinc/11/31/95/1434113195.db2.gz QZDQAKKQJMPQSU-JTQLQIEISA-N 1 2 392.437 3.028 20 5 GGBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000264441787 1434113198 /nfs/dbraw/zinc/11/31/98/1434113198.db2.gz QZDQAKKQJMPQSU-JTQLQIEISA-N 1 2 392.437 3.028 20 5 GGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264758949 1434152412 /nfs/dbraw/zinc/15/24/12/1434152412.db2.gz TZBNSBOXIUIXDY-JTQLQIEISA-N 1 2 381.339 3.331 20 5 GGBDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000265166872 1434193193 /nfs/dbraw/zinc/19/31/93/1434193193.db2.gz SRGXXSINIHOBBR-LLVKDONJSA-N 1 2 392.383 3.468 20 5 GGBDLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000265244645 1434206551 /nfs/dbraw/zinc/20/65/51/1434206551.db2.gz WXHMAHZQSZZYFR-CVEARBPZSA-N 1 2 383.452 3.139 20 5 GGBDLO Cc1ccc(NCCCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000265860511 1434273966 /nfs/dbraw/zinc/27/39/66/1434273966.db2.gz SWPVUBUNRDCXGM-OAHLLOKOSA-N 1 2 386.456 3.018 20 5 GGBDLO Cc1ccc(NCCCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000265860507 1434274018 /nfs/dbraw/zinc/27/40/18/1434274018.db2.gz SWPVUBUNRDCXGM-HNNXBMFYSA-N 1 2 386.456 3.018 20 5 GGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265923306 1434283684 /nfs/dbraw/zinc/28/36/84/1434283684.db2.gz CQNIKIBMQGMYBG-CQSZACIVSA-N 1 2 395.419 3.234 20 5 GGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000266615096 1434354836 /nfs/dbraw/zinc/35/48/36/1434354836.db2.gz DFHWRTQGLOCPBL-HNNXBMFYSA-N 1 2 393.447 3.122 20 5 GGBDLO COC1CC[NH+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000267396554 1434429020 /nfs/dbraw/zinc/42/90/20/1434429020.db2.gz FCODLLFIOIWVES-GFCCVEGCSA-N 1 2 390.465 3.156 20 5 GGBDLO O=C(NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1)c1ccsc1 ZINC000267570374 1434446505 /nfs/dbraw/zinc/44/65/05/1434446505.db2.gz DBGFFTCSXAJZCT-UHFFFAOYSA-N 1 2 386.433 3.192 20 5 GGBDLO Cn1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000268156203 1434498509 /nfs/dbraw/zinc/49/85/09/1434498509.db2.gz CDPRCVIWCLXGOZ-UHFFFAOYSA-N 1 2 386.481 3.434 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268188653 1434500662 /nfs/dbraw/zinc/50/06/62/1434500662.db2.gz XGKTUAYUKYHXRG-LBPRGKRZSA-N 1 2 397.859 3.050 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268188651 1434500751 /nfs/dbraw/zinc/50/07/51/1434500751.db2.gz XGKTUAYUKYHXRG-GFCCVEGCSA-N 1 2 397.859 3.050 20 5 GGBDLO O=C(C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000268237400 1434504056 /nfs/dbraw/zinc/50/40/56/1434504056.db2.gz QAQWTCGRMDPQJX-OAHLLOKOSA-N 1 2 394.387 3.251 20 5 GGBDLO O=C(C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000268237397 1434504183 /nfs/dbraw/zinc/50/41/83/1434504183.db2.gz QAQWTCGRMDPQJX-HNNXBMFYSA-N 1 2 394.387 3.251 20 5 GGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000268276984 1434507645 /nfs/dbraw/zinc/50/76/45/1434507645.db2.gz QFROJLXCSUMCQY-HNAYVOBHSA-N 1 2 383.452 3.115 20 5 GGBDLO CC(C)c1[nH]nc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000269438378 1434645607 /nfs/dbraw/zinc/64/56/07/1434645607.db2.gz OWVFYRBVXWOHPI-ZDUSSCGKSA-N 1 2 387.440 3.087 20 5 GGBDLO NC(=O)C1CC[NH+](c2ccc(Nc3c(F)cc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000269619602 1434664019 /nfs/dbraw/zinc/66/40/19/1434664019.db2.gz HXUQIDISTPCZDA-UHFFFAOYSA-N 1 2 376.363 3.318 20 5 GGBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270748156 1434769433 /nfs/dbraw/zinc/76/94/33/1434769433.db2.gz ZQKSANAJHZCAII-ZDUSSCGKSA-N 1 2 390.465 3.076 20 5 GGBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270748155 1434769488 /nfs/dbraw/zinc/76/94/88/1434769488.db2.gz ZQKSANAJHZCAII-CYBMUJFWSA-N 1 2 390.465 3.076 20 5 GGBDLO Cn1ccnc1[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000272514096 1434902742 /nfs/dbraw/zinc/90/27/42/1434902742.db2.gz JSLDALLACAALJN-IBGZPJMESA-N 1 2 397.504 3.127 20 5 GGBDLO COc1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000272570006 1434908701 /nfs/dbraw/zinc/90/87/01/1434908701.db2.gz CWFDNZVOIZJUGH-GOSISDBHSA-N 1 2 396.403 3.227 20 5 GGBDLO COc1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000272570006 1434908703 /nfs/dbraw/zinc/90/87/03/1434908703.db2.gz CWFDNZVOIZJUGH-GOSISDBHSA-N 1 2 396.403 3.227 20 5 GGBDLO COc1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000272570011 1434908785 /nfs/dbraw/zinc/90/87/85/1434908785.db2.gz CWFDNZVOIZJUGH-SFHVURJKSA-N 1 2 396.403 3.227 20 5 GGBDLO COc1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000272570011 1434908787 /nfs/dbraw/zinc/90/87/87/1434908787.db2.gz CWFDNZVOIZJUGH-SFHVURJKSA-N 1 2 396.403 3.227 20 5 GGBDLO COc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000272845297 1434935642 /nfs/dbraw/zinc/93/56/42/1434935642.db2.gz PFTJYGNRTJIEEO-UHFFFAOYSA-N 1 2 385.424 3.310 20 5 GGBDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000272947974 1434943301 /nfs/dbraw/zinc/94/33/01/1434943301.db2.gz MBMPNHQQAQEHIJ-UHFFFAOYSA-N 1 2 377.832 3.098 20 5 GGBDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000272947974 1434943304 /nfs/dbraw/zinc/94/33/04/1434943304.db2.gz MBMPNHQQAQEHIJ-UHFFFAOYSA-N 1 2 377.832 3.098 20 5 GGBDLO Cc1ccc(C)n1C1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272998713 1434948554 /nfs/dbraw/zinc/94/85/54/1434948554.db2.gz GWNQGKSGQWAGHH-UHFFFAOYSA-N 1 2 391.493 3.124 20 5 GGBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000274110928 1435044624 /nfs/dbraw/zinc/04/46/24/1435044624.db2.gz QWRNUNHVIUHJAA-MSOLQXFVSA-N 1 2 386.452 3.083 20 5 GGBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000274110932 1435044653 /nfs/dbraw/zinc/04/46/53/1435044653.db2.gz QWRNUNHVIUHJAA-ROUUACIJSA-N 1 2 386.452 3.083 20 5 GGBDLO COc1cc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c([N+](=O)[O-])cc1OC ZINC000274853635 1435098122 /nfs/dbraw/zinc/09/81/22/1435098122.db2.gz YMSRGRYBZHHSQK-UHFFFAOYSA-N 1 2 390.827 3.442 20 5 GGBDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276301875 1435203325 /nfs/dbraw/zinc/20/33/25/1435203325.db2.gz JZCHMSNRFOVQFQ-UHFFFAOYSA-N 1 2 388.399 3.153 20 5 GGBDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276301875 1435203329 /nfs/dbraw/zinc/20/33/29/1435203329.db2.gz JZCHMSNRFOVQFQ-UHFFFAOYSA-N 1 2 388.399 3.153 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276465852 1435212873 /nfs/dbraw/zinc/21/28/73/1435212873.db2.gz PLJZWNUVOOLSLN-IBGZPJMESA-N 1 2 393.447 3.374 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276465852 1435212874 /nfs/dbraw/zinc/21/28/74/1435212874.db2.gz PLJZWNUVOOLSLN-IBGZPJMESA-N 1 2 393.447 3.374 20 5 GGBDLO CSCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nnc2ccccn21 ZINC000276593387 1435219302 /nfs/dbraw/zinc/21/93/02/1435219302.db2.gz QIKZDCRUADPROY-CQSZACIVSA-N 1 2 375.429 3.361 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000276967378 1435247989 /nfs/dbraw/zinc/24/79/89/1435247989.db2.gz WHEDWONKSDCOAC-UHFFFAOYSA-N 1 2 396.403 3.153 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000277174174 1435273395 /nfs/dbraw/zinc/27/33/95/1435273395.db2.gz ZZJLMASKCPFOSS-UHFFFAOYSA-N 1 2 375.429 3.306 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000277420213 1435303637 /nfs/dbraw/zinc/30/36/37/1435303637.db2.gz DHTVOODGKHABKC-UHFFFAOYSA-N 1 2 376.482 3.385 20 5 GGBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278179129 1435366946 /nfs/dbraw/zinc/36/69/46/1435366946.db2.gz CZJFZOWPODMKNF-GFCCVEGCSA-N 1 2 381.358 3.287 20 5 GGBDLO Cc1c(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000279048211 1435455494 /nfs/dbraw/zinc/45/54/94/1435455494.db2.gz YQIFCAFNCRWMTA-UHFFFAOYSA-N 1 2 382.464 3.385 20 5 GGBDLO C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000279360068 1435490978 /nfs/dbraw/zinc/49/09/78/1435490978.db2.gz SPPOLRTYYVVPCD-BDJLRTHQSA-N 1 2 380.807 3.236 20 5 GGBDLO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279463803 1435502338 /nfs/dbraw/zinc/50/23/38/1435502338.db2.gz DKZLACGKEOYBEH-UHFFFAOYSA-N 1 2 390.390 3.426 20 5 GGBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000280217051 1435610293 /nfs/dbraw/zinc/61/02/93/1435610293.db2.gz AKXDYJYLFZFFOA-UHFFFAOYSA-N 1 2 399.447 3.386 20 5 GGBDLO COc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000280786819 1435720598 /nfs/dbraw/zinc/72/05/98/1435720598.db2.gz IXHGYDKEQADLJI-IFXJQAMLSA-N 1 2 392.477 3.176 20 5 GGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](Cc2ccco2)CC1 ZINC000281057848 1435765688 /nfs/dbraw/zinc/76/56/88/1435765688.db2.gz SOQZSNDOCIWKKK-CQSZACIVSA-N 1 2 383.408 3.117 20 5 GGBDLO Cc1cc(C)cc([C@H](O)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000283017800 1435870613 /nfs/dbraw/zinc/87/06/13/1435870613.db2.gz LXZWUGFGJJWLAM-UXHICEINSA-N 1 2 380.448 3.358 20 5 GGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000283810592 1435928726 /nfs/dbraw/zinc/92/87/26/1435928726.db2.gz XFOSAJJEXYJROH-SJORKVTESA-N 1 2 392.419 3.199 20 5 GGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000283810592 1435928733 /nfs/dbraw/zinc/92/87/33/1435928733.db2.gz XFOSAJJEXYJROH-SJORKVTESA-N 1 2 392.419 3.199 20 5 GGBDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000284717601 1436042816 /nfs/dbraw/zinc/04/28/16/1436042816.db2.gz JDNZVCPBQAOAIT-LBPRGKRZSA-N 1 2 389.433 3.380 20 5 GGBDLO C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])cc2)CC1 ZINC001598211278 990854492 /nfs/dbraw/zinc/85/44/92/990854492.db2.gz QWWDOINLDQWJSO-UHFFFAOYSA-N 1 2 399.451 3.210 20 5 GGBDLO CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594418676 999562710 /nfs/dbraw/zinc/56/27/10/999562710.db2.gz HZROWIZSSNDJPW-GOSISDBHSA-N 1 2 375.469 3.379 20 5 GGBDLO CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594418676 999562714 /nfs/dbraw/zinc/56/27/14/999562714.db2.gz HZROWIZSSNDJPW-GOSISDBHSA-N 1 2 375.469 3.379 20 5 GGBDLO CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594418679 999562820 /nfs/dbraw/zinc/56/28/20/999562820.db2.gz HZROWIZSSNDJPW-SFHVURJKSA-N 1 2 375.469 3.379 20 5 GGBDLO CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594418679 999562822 /nfs/dbraw/zinc/56/28/22/999562822.db2.gz HZROWIZSSNDJPW-SFHVURJKSA-N 1 2 375.469 3.379 20 5 GGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000008135097 204262722 /nfs/dbraw/zinc/26/27/22/204262722.db2.gz FLHUBWYWJYYSBS-UHFFFAOYSA-N 1 2 393.447 3.283 20 5 GGBDLO COc1cccc([C@H](Nc2nc3sccn3c2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000009459826 204312221 /nfs/dbraw/zinc/31/22/21/204312221.db2.gz LJHYPHZALSBINO-ZDUSSCGKSA-N 1 2 384.421 3.248 20 5 GGBDLO CNS(=O)(=O)c1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000015207330 204562912 /nfs/dbraw/zinc/56/29/12/204562912.db2.gz XPNWUTQJHSEDMB-UHFFFAOYSA-N 1 2 390.465 3.237 20 5 GGBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000022880815 204791534 /nfs/dbraw/zinc/79/15/34/204791534.db2.gz SFHNAETUAWKDHA-UHFFFAOYSA-N 1 2 389.839 3.010 20 5 GGBDLO O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000031708890 204904417 /nfs/dbraw/zinc/90/44/17/204904417.db2.gz IUTPHPUXBQLZEG-UHFFFAOYSA-N 1 2 395.868 3.033 20 5 GGBDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000047331105 205109801 /nfs/dbraw/zinc/10/98/01/205109801.db2.gz FLHCCJLTBMMFPG-ZDUSSCGKSA-N 1 2 386.481 3.130 20 5 GGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000095961700 136182869 /nfs/dbraw/zinc/18/28/69/136182869.db2.gz YNQVVZIJYZBAFY-INIZCTEOSA-N 1 2 398.444 3.092 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000116601801 564213290 /nfs/dbraw/zinc/21/32/90/564213290.db2.gz FMUJQLJJVDQPMV-UHFFFAOYSA-N 1 2 378.797 3.235 20 5 GGBDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)sc2C1 ZINC000119443122 564271162 /nfs/dbraw/zinc/27/11/62/564271162.db2.gz HBDAVBKSOWRIDP-UHFFFAOYSA-N 1 2 397.254 3.054 20 5 GGBDLO C[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)sc2C1 ZINC000119443122 564271165 /nfs/dbraw/zinc/27/11/65/564271165.db2.gz HBDAVBKSOWRIDP-UHFFFAOYSA-N 1 2 397.254 3.054 20 5 GGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000119472467 564272631 /nfs/dbraw/zinc/27/26/31/564272631.db2.gz DCPBJHOPHJVAAI-UHFFFAOYSA-N 1 2 378.479 3.404 20 5 GGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000119472467 564272634 /nfs/dbraw/zinc/27/26/34/564272634.db2.gz DCPBJHOPHJVAAI-UHFFFAOYSA-N 1 2 378.479 3.404 20 5 GGBDLO CC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000119726179 564284799 /nfs/dbraw/zinc/28/47/99/564284799.db2.gz AIJQCSRKDCETFM-HNNXBMFYSA-N 1 2 383.857 3.137 20 5 GGBDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000119713437 564285126 /nfs/dbraw/zinc/28/51/26/564285126.db2.gz DXQNNZMDNSUYDX-LLVKDONJSA-N 1 2 383.857 3.007 20 5 GGBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(Cl)s1 ZINC000023706616 564326426 /nfs/dbraw/zinc/32/64/26/564326426.db2.gz PTYTVYIIFOEAQX-UHFFFAOYSA-N 1 2 383.813 3.109 20 5 GGBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(Cl)s1 ZINC000023706616 564326430 /nfs/dbraw/zinc/32/64/30/564326430.db2.gz PTYTVYIIFOEAQX-UHFFFAOYSA-N 1 2 383.813 3.109 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121263500 564361980 /nfs/dbraw/zinc/36/19/80/564361980.db2.gz FCASDYAJLAULFG-ZDUSSCGKSA-N 1 2 392.209 3.046 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Br)o1 ZINC000030214777 564378057 /nfs/dbraw/zinc/37/80/57/564378057.db2.gz ZFJZWZPTEIOJFQ-JTQLQIEISA-N 1 2 382.214 3.409 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214777 564378060 /nfs/dbraw/zinc/37/80/60/564378060.db2.gz ZFJZWZPTEIOJFQ-JTQLQIEISA-N 1 2 382.214 3.409 20 5 GGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000033232409 564412008 /nfs/dbraw/zinc/41/20/08/564412008.db2.gz BNLKHYZWROEENE-UHFFFAOYSA-N 1 2 377.491 3.336 20 5 GGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000125272861 564509066 /nfs/dbraw/zinc/50/90/66/564509066.db2.gz QDTZIMYVGGJVFI-UHFFFAOYSA-N 1 2 393.241 3.374 20 5 GGBDLO Cc1c(Br)cc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000129752785 564659173 /nfs/dbraw/zinc/65/91/73/564659173.db2.gz VWEDCJUFDRWNDM-UHFFFAOYSA-N 1 2 393.241 3.293 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)s1 ZINC000064114989 564726083 /nfs/dbraw/zinc/72/60/83/564726083.db2.gz PWCDGVHKTMFJMU-UHFFFAOYSA-N 1 2 377.857 3.280 20 5 GGBDLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133417818 564772993 /nfs/dbraw/zinc/77/29/93/564772993.db2.gz UICTTYSUKPROTI-UHFFFAOYSA-N 1 2 393.172 3.074 20 5 GGBDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000071446714 564856304 /nfs/dbraw/zinc/85/63/04/564856304.db2.gz VLUIUJOQURBSSX-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO Cc1noc(C2CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)n1 ZINC000091834676 564872677 /nfs/dbraw/zinc/87/26/77/564872677.db2.gz QVXQEFKHABXWKL-UHFFFAOYSA-N 1 2 381.230 3.428 20 5 GGBDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000092706133 564880597 /nfs/dbraw/zinc/88/05/97/564880597.db2.gz MHXMBNNPTCKHGG-AWEZNQCLSA-N 1 2 398.301 3.342 20 5 GGBDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000092706133 564880603 /nfs/dbraw/zinc/88/06/03/564880603.db2.gz MHXMBNNPTCKHGG-AWEZNQCLSA-N 1 2 398.301 3.342 20 5 GGBDLO O=[N+]([O-])c1cc(Br)cnc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000147098806 564883122 /nfs/dbraw/zinc/88/31/22/564883122.db2.gz CMJDAIJSJQZIND-UHFFFAOYSA-N 1 2 393.241 3.328 20 5 GGBDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093384220 564886104 /nfs/dbraw/zinc/88/61/04/564886104.db2.gz OFGKTDHASQNTRV-LLVKDONJSA-N 1 2 386.857 3.373 20 5 GGBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093384220 564886108 /nfs/dbraw/zinc/88/61/08/564886108.db2.gz OFGKTDHASQNTRV-LLVKDONJSA-N 1 2 386.857 3.373 20 5 GGBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093384219 564886529 /nfs/dbraw/zinc/88/65/29/564886529.db2.gz OFGKTDHASQNTRV-NSHDSACASA-N 1 2 386.857 3.373 20 5 GGBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093384219 564886532 /nfs/dbraw/zinc/88/65/32/564886532.db2.gz OFGKTDHASQNTRV-NSHDSACASA-N 1 2 386.857 3.373 20 5 GGBDLO O=C1CCCCN1C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000093741539 564889042 /nfs/dbraw/zinc/88/90/42/564889042.db2.gz XTBHISWXBOMBRB-UHFFFAOYSA-N 1 2 396.285 3.334 20 5 GGBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000093815434 564890370 /nfs/dbraw/zinc/89/03/70/564890370.db2.gz UWJZMSNSYWBAGF-MRXNPFEDSA-N 1 2 381.226 3.228 20 5 GGBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000093815434 564890374 /nfs/dbraw/zinc/89/03/74/564890374.db2.gz UWJZMSNSYWBAGF-MRXNPFEDSA-N 1 2 381.226 3.228 20 5 GGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc[nH+]1 ZINC000101630926 564919354 /nfs/dbraw/zinc/91/93/54/564919354.db2.gz OLZQHSMRPNZJOP-UHFFFAOYSA-N 1 2 383.145 3.155 20 5 GGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc(Br)cn1C ZINC000151494394 564922461 /nfs/dbraw/zinc/92/24/61/564922461.db2.gz KSSFNPCNCKVCNO-LLVKDONJSA-N 1 2 395.257 3.155 20 5 GGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151494394 564922465 /nfs/dbraw/zinc/92/24/65/564922465.db2.gz KSSFNPCNCKVCNO-LLVKDONJSA-N 1 2 395.257 3.155 20 5 GGBDLO Cn1cc(Br)cc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000151514935 564924380 /nfs/dbraw/zinc/92/43/80/564924380.db2.gz AINUXKPGEASFEI-UHFFFAOYSA-N 1 2 379.214 3.469 20 5 GGBDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000151514935 564924383 /nfs/dbraw/zinc/92/43/83/564924383.db2.gz AINUXKPGEASFEI-UHFFFAOYSA-N 1 2 379.214 3.469 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cc(Br)cn1C ZINC000151585614 564928376 /nfs/dbraw/zinc/92/83/76/564928376.db2.gz YUEIFJPETUUTRM-NSHDSACASA-N 1 2 395.257 3.155 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151585614 564928377 /nfs/dbraw/zinc/92/83/77/564928377.db2.gz YUEIFJPETUUTRM-NSHDSACASA-N 1 2 395.257 3.155 20 5 GGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154297231 565033404 /nfs/dbraw/zinc/03/34/04/565033404.db2.gz FQGMKTZMLPSEIB-OAHLLOKOSA-N 1 2 392.209 3.046 20 5 GGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154297336 565033553 /nfs/dbraw/zinc/03/35/53/565033553.db2.gz FQGMKTZMLPSEIB-HNNXBMFYSA-N 1 2 392.209 3.046 20 5 GGBDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155102912 565061904 /nfs/dbraw/zinc/06/19/04/565061904.db2.gz HTWNNCJGCGKITI-UHFFFAOYSA-N 1 2 382.218 3.108 20 5 GGBDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000292709400 565130750 /nfs/dbraw/zinc/13/07/50/565130750.db2.gz BCBKCODMJIMUCP-SNVBAGLBSA-N 1 2 380.388 3.011 20 5 GGBDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000292709400 565130755 /nfs/dbraw/zinc/13/07/55/565130755.db2.gz BCBKCODMJIMUCP-SNVBAGLBSA-N 1 2 380.388 3.011 20 5 GGBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000157545666 565136446 /nfs/dbraw/zinc/13/64/46/565136446.db2.gz LHFBPFGTVQTHLB-GFCCVEGCSA-N 1 2 384.841 3.127 20 5 GGBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000157545666 565136449 /nfs/dbraw/zinc/13/64/49/565136449.db2.gz LHFBPFGTVQTHLB-GFCCVEGCSA-N 1 2 384.841 3.127 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268410244 565150955 /nfs/dbraw/zinc/15/09/55/565150955.db2.gz YEHIBILYZVMTNR-IAQYHMDHSA-N 1 2 393.241 3.277 20 5 GGBDLO C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268410250 565151146 /nfs/dbraw/zinc/15/11/46/565151146.db2.gz YEHIBILYZVMTNR-XHDPSFHLSA-N 1 2 393.241 3.277 20 5 GGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269282807 565184385 /nfs/dbraw/zinc/18/43/85/565184385.db2.gz BAZANOJCIOSNHV-SNVBAGLBSA-N 1 2 379.214 3.100 20 5 GGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269335537 565185928 /nfs/dbraw/zinc/18/59/28/565185928.db2.gz ZDOBOGNIYYVPKV-UHFFFAOYSA-N 1 2 379.214 3.100 20 5 GGBDLO Cc1c(Br)cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000270002760 565205505 /nfs/dbraw/zinc/20/55/05/565205505.db2.gz XGGABQGSBHPTCF-NSHDSACASA-N 1 2 393.241 3.409 20 5 GGBDLO CC(C)C(=O)NC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000271063943 565237548 /nfs/dbraw/zinc/23/75/48/565237548.db2.gz ZJICNLYCGXJRDS-UHFFFAOYSA-N 1 2 384.274 3.094 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000373057595 565267704 /nfs/dbraw/zinc/26/77/04/565267704.db2.gz NEUDTMNHGXKYKN-LLVKDONJSA-N 1 2 393.241 3.111 20 5 GGBDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000373213473 565275742 /nfs/dbraw/zinc/27/57/42/565275742.db2.gz AVRSTPVUVXHBMZ-NSHDSACASA-N 1 2 396.266 3.335 20 5 GGBDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000373213473 565275745 /nfs/dbraw/zinc/27/57/45/565275745.db2.gz AVRSTPVUVXHBMZ-NSHDSACASA-N 1 2 396.266 3.335 20 5 GGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000373377135 565281821 /nfs/dbraw/zinc/28/18/21/565281821.db2.gz JZSACDFBGCCFAV-UHFFFAOYSA-N 1 2 395.257 3.134 20 5 GGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000295941614 565294665 /nfs/dbraw/zinc/29/46/65/565294665.db2.gz QECCZSLGIJVECN-CYBMUJFWSA-N 1 2 393.241 3.314 20 5 GGBDLO CC(C)[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1[nH]cc[nH+]1 ZINC000296082401 565301143 /nfs/dbraw/zinc/30/11/43/565301143.db2.gz PYUNDWOKOZOWJG-NSHDSACASA-N 1 2 393.252 3.300 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000296310015 565311067 /nfs/dbraw/zinc/31/10/67/565311067.db2.gz RISBDJBIQYWTQB-NSHDSACASA-N 1 2 399.270 3.376 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375082997 565368134 /nfs/dbraw/zinc/36/81/34/565368134.db2.gz YNXFSWJFHACYIZ-CYBMUJFWSA-N 1 2 379.214 3.366 20 5 GGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1(C)C ZINC000297793299 565387212 /nfs/dbraw/zinc/38/72/12/565387212.db2.gz RNXGTAHOZWHJCF-CYBMUJFWSA-N 1 2 393.241 3.314 20 5 GGBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c(Br)c1 ZINC000299356756 565448618 /nfs/dbraw/zinc/44/86/18/565448618.db2.gz OKDURKYRINWZAH-UHFFFAOYSA-N 1 2 393.241 3.201 20 5 GGBDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000171758622 565449232 /nfs/dbraw/zinc/44/92/32/565449232.db2.gz RICYSDYHQIHKRV-BONVTDFDSA-N 1 2 378.226 3.235 20 5 GGBDLO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000301332741 565479490 /nfs/dbraw/zinc/47/94/90/565479490.db2.gz FEZOKKSOVFQDKP-UHFFFAOYSA-N 1 2 392.253 3.385 20 5 GGBDLO O=[N+]([O-])c1cnc(NCC2([NH+]3CCOCC3)CCCCC2)c(Br)c1 ZINC000301553706 565494530 /nfs/dbraw/zinc/49/45/30/565494530.db2.gz RRRYLQXYPPCKKZ-UHFFFAOYSA-N 1 2 399.289 3.199 20 5 GGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccs3)CC2)c(Br)c1 ZINC000301544170 565494579 /nfs/dbraw/zinc/49/45/79/565494579.db2.gz OTAZUFDWLCRUOZ-UHFFFAOYSA-N 1 2 383.271 3.136 20 5 GGBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](c2ccccc2)C1 ZINC000301549289 565495120 /nfs/dbraw/zinc/49/51/20/565495120.db2.gz QHUXWZAHHUITFP-OAHLLOKOSA-N 1 2 377.242 3.245 20 5 GGBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](c2ccccc2)C1 ZINC000301549289 565495123 /nfs/dbraw/zinc/49/51/23/565495123.db2.gz QHUXWZAHHUITFP-OAHLLOKOSA-N 1 2 377.242 3.245 20 5 GGBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c(Cl)cc1Cl ZINC000377835663 565501123 /nfs/dbraw/zinc/50/11/23/565501123.db2.gz VRENXGKBKVLNDU-JTQLQIEISA-N 1 2 391.236 3.151 20 5 GGBDLO O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000301676965 565503188 /nfs/dbraw/zinc/50/31/88/565503188.db2.gz HZJWJTKTLZNTRY-UHFFFAOYSA-N 1 2 378.230 3.360 20 5 GGBDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301685012 565504861 /nfs/dbraw/zinc/50/48/61/565504861.db2.gz UDWRNBBYEKUQDD-UHFFFAOYSA-N 1 2 395.257 3.284 20 5 GGBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000301715682 565507282 /nfs/dbraw/zinc/50/72/82/565507282.db2.gz MUJZHUQBQPCZJS-UHFFFAOYSA-N 1 2 395.232 3.214 20 5 GGBDLO Cc1cc(N2CC[NH+](CCOC(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302627636 565547147 /nfs/dbraw/zinc/54/71/47/565547147.db2.gz BGLDDCQLYIEPRZ-UHFFFAOYSA-N 1 2 386.290 3.213 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1Br ZINC000278460984 565560248 /nfs/dbraw/zinc/56/02/48/565560248.db2.gz ZVXKGXMJIKTICG-GWCFXTLKSA-N 1 2 397.191 3.493 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1Br ZINC000278460984 565560250 /nfs/dbraw/zinc/56/02/50/565560250.db2.gz ZVXKGXMJIKTICG-GWCFXTLKSA-N 1 2 397.191 3.493 20 5 GGBDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173964401 565602698 /nfs/dbraw/zinc/60/26/98/565602698.db2.gz SHCYRJLYYQDESU-RFAUZJTJSA-N 1 2 396.216 3.374 20 5 GGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000192175545 565665411 /nfs/dbraw/zinc/66/54/11/565665411.db2.gz PLLWSYLPRBPQHL-SNVBAGLBSA-N 1 2 388.287 3.123 20 5 GGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000192175545 565665413 /nfs/dbraw/zinc/66/54/13/565665413.db2.gz PLLWSYLPRBPQHL-SNVBAGLBSA-N 1 2 388.287 3.123 20 5 GGBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000192175552 565665840 /nfs/dbraw/zinc/66/58/40/565665840.db2.gz PLLWSYLPRBPQHL-JTQLQIEISA-N 1 2 388.287 3.123 20 5 GGBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000192175552 565665848 /nfs/dbraw/zinc/66/58/48/565665848.db2.gz PLLWSYLPRBPQHL-JTQLQIEISA-N 1 2 388.287 3.123 20 5 GGBDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000332008984 565799747 /nfs/dbraw/zinc/79/97/47/565799747.db2.gz QJOVGHFOSVUFLZ-UWVGGRQHSA-N 1 2 388.287 3.118 20 5 GGBDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000332008984 565799756 /nfs/dbraw/zinc/79/97/56/565799756.db2.gz QJOVGHFOSVUFLZ-UWVGGRQHSA-N 1 2 388.287 3.118 20 5 GGBDLO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177537772 565858288 /nfs/dbraw/zinc/85/82/88/565858288.db2.gz AGDAQDXWVSTCBK-TXEJJXNPSA-N 1 2 382.258 3.418 20 5 GGBDLO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177537772 565858295 /nfs/dbraw/zinc/85/82/95/565858295.db2.gz AGDAQDXWVSTCBK-TXEJJXNPSA-N 1 2 382.258 3.418 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c([N+](=O)[O-])c1 ZINC000284719598 565867164 /nfs/dbraw/zinc/86/71/64/565867164.db2.gz JMVGOKQMTMRRBS-DZGCQCFKSA-N 1 2 388.251 3.058 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c([N+](=O)[O-])c1 ZINC000284719598 565867169 /nfs/dbraw/zinc/86/71/69/565867169.db2.gz JMVGOKQMTMRRBS-DZGCQCFKSA-N 1 2 388.251 3.058 20 5 GGBDLO O=C1O[C@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC12CCC2 ZINC000285002030 565882269 /nfs/dbraw/zinc/88/22/69/565882269.db2.gz YVOBWHNBVAHMQG-NSHDSACASA-N 1 2 395.253 3.201 20 5 GGBDLO O=C1O[C@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC12CCC2 ZINC000285002030 565882278 /nfs/dbraw/zinc/88/22/78/565882278.db2.gz YVOBWHNBVAHMQG-NSHDSACASA-N 1 2 395.253 3.201 20 5 GGBDLO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C3)cs1 ZINC000361999402 565975131 /nfs/dbraw/zinc/97/51/31/565975131.db2.gz XKLFLUQLNLBWFK-UHFFFAOYSA-N 1 2 375.479 3.380 20 5 GGBDLO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C3)cs1 ZINC000361999402 565975138 /nfs/dbraw/zinc/97/51/38/565975138.db2.gz XKLFLUQLNLBWFK-UHFFFAOYSA-N 1 2 375.479 3.380 20 5 GGBDLO CC[NH+](CC)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000179576262 565990463 /nfs/dbraw/zinc/99/04/63/565990463.db2.gz NJIYQGIECVORPY-LBPRGKRZSA-N 1 2 387.483 3.148 20 5 GGBDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000179673525 565998899 /nfs/dbraw/zinc/99/88/99/565998899.db2.gz HGNBJVBRHPQIRM-LLVKDONJSA-N 1 2 393.241 3.384 20 5 GGBDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000179673525 565998902 /nfs/dbraw/zinc/99/89/02/565998902.db2.gz HGNBJVBRHPQIRM-LLVKDONJSA-N 1 2 393.241 3.384 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000247450524 566060625 /nfs/dbraw/zinc/06/06/25/566060625.db2.gz ZPDZDKDWWIFOTI-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000180795335 566089454 /nfs/dbraw/zinc/08/94/54/566089454.db2.gz MZMRMONZIZXBHX-UHFFFAOYSA-N 1 2 375.328 3.056 20 5 GGBDLO Cc1cc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)ccc1[N+](=O)[O-] ZINC000180797449 566090475 /nfs/dbraw/zinc/09/04/75/566090475.db2.gz PNICCGHMPFCXQC-UHFFFAOYSA-N 1 2 375.328 3.056 20 5 GGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365730071 566115973 /nfs/dbraw/zinc/11/59/73/566115973.db2.gz JUHFGVQKPRFADC-UHFFFAOYSA-N 1 2 399.270 3.224 20 5 GGBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(F)(F)F ZINC000289549601 566128743 /nfs/dbraw/zinc/12/87/43/566128743.db2.gz UGTPVDBPUIDLIN-SNVBAGLBSA-N 1 2 379.766 3.139 20 5 GGBDLO O=C(NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(F)(F)F ZINC000289549601 566128750 /nfs/dbraw/zinc/12/87/50/566128750.db2.gz UGTPVDBPUIDLIN-SNVBAGLBSA-N 1 2 379.766 3.139 20 5 GGBDLO Cc1csc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000289982437 566151479 /nfs/dbraw/zinc/15/14/79/566151479.db2.gz RSLOWPASFXIWCP-UHFFFAOYSA-N 1 2 389.218 3.254 20 5 GGBDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000481876695 566258900 /nfs/dbraw/zinc/25/89/00/566258900.db2.gz VGQGRQYXRJLYRD-UHFFFAOYSA-N 1 2 387.820 3.250 20 5 GGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000481868701 566259864 /nfs/dbraw/zinc/25/98/64/566259864.db2.gz QKTKYXCEBGHVEV-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000481891488 566260895 /nfs/dbraw/zinc/26/08/95/566260895.db2.gz SSWIXANIWPLXCB-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000599661924 566284348 /nfs/dbraw/zinc/28/43/48/566284348.db2.gz HAPVVQCFHCHNHS-RISCZKNCSA-N 1 2 393.241 3.277 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000556508337 566308276 /nfs/dbraw/zinc/30/82/76/566308276.db2.gz ITUAHKKGRSHEPL-UHFFFAOYSA-N 1 2 380.388 3.033 20 5 GGBDLO CCCC[N@@H+]1CCCC[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000535798595 566328629 /nfs/dbraw/zinc/32/86/29/566328629.db2.gz QIBTWQUVKLBGQE-LBPRGKRZSA-N 1 2 375.516 3.126 20 5 GGBDLO CCCC[N@H+]1CCCC[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000535798595 566328636 /nfs/dbraw/zinc/32/86/36/566328636.db2.gz QIBTWQUVKLBGQE-LBPRGKRZSA-N 1 2 375.516 3.126 20 5 GGBDLO C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000446739233 566363471 /nfs/dbraw/zinc/36/34/71/566363471.db2.gz RVAMZNCKHQHOCL-GXFFZTMASA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000446739233 566363475 /nfs/dbraw/zinc/36/34/75/566363475.db2.gz RVAMZNCKHQHOCL-GXFFZTMASA-N 1 2 385.251 3.078 20 5 GGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(O)ccc3Br)nc2c1 ZINC000446847137 566368518 /nfs/dbraw/zinc/36/85/18/566368518.db2.gz IYFBTKRNFJSADG-UHFFFAOYSA-N 1 2 377.198 3.229 20 5 GGBDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000576746414 566373920 /nfs/dbraw/zinc/37/39/20/566373920.db2.gz JDHJDVCVKBUABP-INIZCTEOSA-N 1 2 385.258 3.127 20 5 GGBDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000576746414 566373923 /nfs/dbraw/zinc/37/39/23/566373923.db2.gz JDHJDVCVKBUABP-INIZCTEOSA-N 1 2 385.258 3.127 20 5 GGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(O)ccc3Br)CC2)c1 ZINC000510525758 566391761 /nfs/dbraw/zinc/39/17/61/566391761.db2.gz WPUBVGPBPFYFMN-UHFFFAOYSA-N 1 2 392.253 3.385 20 5 GGBDLO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000536746052 566398483 /nfs/dbraw/zinc/39/84/83/566398483.db2.gz VHEBQFMLLYHZKL-GWCFXTLKSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000536746052 566398486 /nfs/dbraw/zinc/39/84/86/566398486.db2.gz VHEBQFMLLYHZKL-GWCFXTLKSA-N 1 2 385.251 3.078 20 5 GGBDLO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)n1 ZINC000602445285 566471897 /nfs/dbraw/zinc/47/18/97/566471897.db2.gz OLXCHIGTPSCCMB-SECBINFHSA-N 1 2 387.259 3.490 20 5 GGBDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)n1 ZINC000602445285 566471904 /nfs/dbraw/zinc/47/19/04/566471904.db2.gz OLXCHIGTPSCCMB-SECBINFHSA-N 1 2 387.259 3.490 20 5 GGBDLO COCCOC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602469646 566472134 /nfs/dbraw/zinc/47/21/34/566472134.db2.gz VCBUZNPICMQYEG-UHFFFAOYSA-N 1 2 379.276 3.046 20 5 GGBDLO CCCNC(=O)C1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602437089 566472312 /nfs/dbraw/zinc/47/23/12/566472312.db2.gz TWQMKXJFUZVMKC-UHFFFAOYSA-N 1 2 390.303 3.157 20 5 GGBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1Br ZINC000602482194 566474465 /nfs/dbraw/zinc/47/44/65/566474465.db2.gz NWVDPNJVMZSIOO-LLVKDONJSA-N 1 2 391.287 3.189 20 5 GGBDLO Cc1ccccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000485208426 566482807 /nfs/dbraw/zinc/48/28/07/566482807.db2.gz PEUHVAKANXMRNL-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602652260 566483497 /nfs/dbraw/zinc/48/34/97/566483497.db2.gz BCWSIJAMRMSMCT-SNVBAGLBSA-N 1 2 390.303 3.300 20 5 GGBDLO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602652260 566483501 /nfs/dbraw/zinc/48/35/01/566483501.db2.gz BCWSIJAMRMSMCT-SNVBAGLBSA-N 1 2 390.303 3.300 20 5 GGBDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602635887 566484361 /nfs/dbraw/zinc/48/43/61/566484361.db2.gz CUBXAMVJPZQXLM-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602635887 566484367 /nfs/dbraw/zinc/48/43/67/566484367.db2.gz CUBXAMVJPZQXLM-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)o1 ZINC000602655394 566485134 /nfs/dbraw/zinc/48/51/34/566485134.db2.gz GKMZIABKEKSIOK-UHFFFAOYSA-N 1 2 375.200 3.088 20 5 GGBDLO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602664292 566485170 /nfs/dbraw/zinc/48/51/70/566485170.db2.gz ZFYUCZVPEDYYHO-NSHDSACASA-N 1 2 390.303 3.157 20 5 GGBDLO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602664292 566485173 /nfs/dbraw/zinc/48/51/73/566485173.db2.gz ZFYUCZVPEDYYHO-NSHDSACASA-N 1 2 390.303 3.157 20 5 GGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000485453665 566498717 /nfs/dbraw/zinc/49/87/17/566498717.db2.gz TVFXKBNNRQALLP-ZDUSSCGKSA-N 1 2 394.229 3.364 20 5 GGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000559248979 566534422 /nfs/dbraw/zinc/53/44/22/566534422.db2.gz RHDLAYFVNDIYCM-AWEZNQCLSA-N 1 2 385.189 3.025 20 5 GGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000559248986 566535256 /nfs/dbraw/zinc/53/52/56/566535256.db2.gz RHDLAYFVNDIYCM-CQSZACIVSA-N 1 2 385.189 3.025 20 5 GGBDLO CN(C)c1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000578735527 566550531 /nfs/dbraw/zinc/55/05/31/566550531.db2.gz OLCZTKBVNBBALP-UHFFFAOYSA-N 1 2 398.204 3.273 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000604097702 566554304 /nfs/dbraw/zinc/55/43/04/566554304.db2.gz PSXWOORGZNRURE-UHFFFAOYSA-N 1 2 377.491 3.206 20 5 GGBDLO C[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c2nccn21 ZINC000449568727 566577665 /nfs/dbraw/zinc/57/76/65/566577665.db2.gz CSCWOTSVUFQFRH-ZANVPECISA-N 1 2 398.204 3.192 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1cc(OC)c(Br)c[nH+]1 ZINC000539556108 566589010 /nfs/dbraw/zinc/58/90/10/566589010.db2.gz UCOCNUSCAMKXOT-UHFFFAOYSA-N 1 2 382.214 3.194 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000425381318 566637548 /nfs/dbraw/zinc/63/75/48/566637548.db2.gz FNTDKUGXWOXQSZ-UHFFFAOYSA-N 1 2 391.269 3.070 20 5 GGBDLO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425401135 566639694 /nfs/dbraw/zinc/63/96/94/566639694.db2.gz DTIIMVLRDMISAA-LBPRGKRZSA-N 1 2 381.230 3.428 20 5 GGBDLO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425401135 566639702 /nfs/dbraw/zinc/63/97/02/566639702.db2.gz DTIIMVLRDMISAA-LBPRGKRZSA-N 1 2 381.230 3.428 20 5 GGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)[nH]1 ZINC000425428052 566642047 /nfs/dbraw/zinc/64/20/47/566642047.db2.gz VRAZFBWZORHNCK-LBPRGKRZSA-N 1 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Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)[nH]1 ZINC000425428051 566642138 /nfs/dbraw/zinc/64/21/38/566642138.db2.gz VRAZFBWZORHNCK-GFCCVEGCSA-N 1 2 380.246 3.163 20 5 GGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)[nH]1 ZINC000425428051 566642141 /nfs/dbraw/zinc/64/21/41/566642141.db2.gz VRAZFBWZORHNCK-GFCCVEGCSA-N 1 2 380.246 3.163 20 5 GGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425428051 566642146 /nfs/dbraw/zinc/64/21/46/566642146.db2.gz VRAZFBWZORHNCK-GFCCVEGCSA-N 1 2 380.246 3.163 20 5 GGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425428051 566642150 /nfs/dbraw/zinc/64/21/50/566642150.db2.gz VRAZFBWZORHNCK-GFCCVEGCSA-N 1 2 380.246 3.163 20 5 GGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000425428051 566642153 /nfs/dbraw/zinc/64/21/53/566642153.db2.gz VRAZFBWZORHNCK-GFCCVEGCSA-N 1 2 380.246 3.163 20 5 GGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000425428051 566642157 /nfs/dbraw/zinc/64/21/57/566642157.db2.gz VRAZFBWZORHNCK-GFCCVEGCSA-N 1 2 380.246 3.163 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000425463628 566646885 /nfs/dbraw/zinc/64/68/85/566646885.db2.gz YGVBSSDRPIVHED-PWSUYJOCSA-N 1 2 397.191 3.350 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000425463628 566646888 /nfs/dbraw/zinc/64/68/88/566646888.db2.gz YGVBSSDRPIVHED-PWSUYJOCSA-N 1 2 397.191 3.350 20 5 GGBDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000561300970 566693932 /nfs/dbraw/zinc/69/39/32/566693932.db2.gz ZSZCBNXHDDDWAF-GFCCVEGCSA-N 1 2 382.251 3.402 20 5 GGBDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000561300970 566693935 /nfs/dbraw/zinc/69/39/35/566693935.db2.gz ZSZCBNXHDDDWAF-GFCCVEGCSA-N 1 2 382.251 3.402 20 5 GGBDLO O=[N+]([O-])c1cccnc1N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561341651 566697448 /nfs/dbraw/zinc/69/74/48/566697448.db2.gz ZLMGEQZOYGWYNP-UHFFFAOYSA-N 1 2 392.213 3.249 20 5 GGBDLO C[N@@H+]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000561425424 566704081 /nfs/dbraw/zinc/70/40/81/566704081.db2.gz IYJXGRAYHRRQHZ-CQSZACIVSA-N 1 2 391.269 3.115 20 5 GGBDLO C[N@H+]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000561425424 566704088 /nfs/dbraw/zinc/70/40/88/566704088.db2.gz IYJXGRAYHRRQHZ-CQSZACIVSA-N 1 2 391.269 3.115 20 5 GGBDLO C[N@@H+]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000561425423 566704996 /nfs/dbraw/zinc/70/49/96/566704996.db2.gz IYJXGRAYHRRQHZ-AWEZNQCLSA-N 1 2 391.269 3.115 20 5 GGBDLO C[N@H+]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000561425423 566705001 /nfs/dbraw/zinc/70/50/01/566705001.db2.gz IYJXGRAYHRRQHZ-AWEZNQCLSA-N 1 2 391.269 3.115 20 5 GGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488195761 566712657 /nfs/dbraw/zinc/71/26/57/566712657.db2.gz DAXIAPPLWWMMOF-UHFFFAOYSA-N 1 2 383.217 3.491 20 5 GGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488195761 566712663 /nfs/dbraw/zinc/71/26/63/566712663.db2.gz DAXIAPPLWWMMOF-UHFFFAOYSA-N 1 2 383.217 3.491 20 5 GGBDLO Cc1c(Br)c(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000541578932 566735125 /nfs/dbraw/zinc/73/51/25/566735125.db2.gz OUNVPMWGNVLUAR-STQMWFEESA-N 1 2 399.289 3.116 20 5 GGBDLO CO[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000581517202 566785242 /nfs/dbraw/zinc/78/52/42/566785242.db2.gz SQQIFKCNDNXDLK-IINYFYTJSA-N 1 2 390.221 3.199 20 5 GGBDLO CO[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000581517202 566785249 /nfs/dbraw/zinc/78/52/49/566785249.db2.gz SQQIFKCNDNXDLK-IINYFYTJSA-N 1 2 390.221 3.199 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610063974 566801849 /nfs/dbraw/zinc/80/18/49/566801849.db2.gz OXYVHAVAINGGLU-GFCCVEGCSA-N 1 2 379.214 3.031 20 5 GGBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000610062426 566802454 /nfs/dbraw/zinc/80/24/54/566802454.db2.gz RKLPWJDTUYEYRG-UHFFFAOYSA-N 1 2 390.237 3.103 20 5 GGBDLO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000469843989 566820086 /nfs/dbraw/zinc/82/00/86/566820086.db2.gz UGNMBRVVIDMIIR-CQSZACIVSA-N 1 2 377.491 3.004 20 5 GGBDLO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000469843989 566820093 /nfs/dbraw/zinc/82/00/93/566820093.db2.gz UGNMBRVVIDMIIR-CQSZACIVSA-N 1 2 377.491 3.004 20 5 GGBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610572266 566844155 /nfs/dbraw/zinc/84/41/55/566844155.db2.gz OPGGZSFMCCLVND-LBPRGKRZSA-N 1 2 379.214 3.031 20 5 GGBDLO COc1ccc[nH+]c1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000582270701 566846173 /nfs/dbraw/zinc/84/61/73/566846173.db2.gz PLCNHEDQNGWKDG-UHFFFAOYSA-N 1 2 385.161 3.215 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1Sc1cc(-n2cc[nH+]c2)ncn1 ZINC000610661817 566852723 /nfs/dbraw/zinc/85/27/23/566852723.db2.gz PCPSNLUOUJYZTK-UHFFFAOYSA-N 1 2 378.211 3.484 20 5 GGBDLO CS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000611273946 566905676 /nfs/dbraw/zinc/90/56/76/566905676.db2.gz HHKQYVDXPRKOPY-UHFFFAOYSA-N 1 2 380.491 3.332 20 5 GGBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000451967041 566916915 /nfs/dbraw/zinc/91/69/15/566916915.db2.gz GKQNTKWSNGJLFV-SNVBAGLBSA-N 1 2 396.296 3.006 20 5 GGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c(F)c1 ZINC000492059265 566922450 /nfs/dbraw/zinc/92/24/50/566922450.db2.gz GSIQHBNMTQEXTA-HNNXBMFYSA-N 1 2 387.180 3.459 20 5 GGBDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000429373715 566927096 /nfs/dbraw/zinc/92/70/96/566927096.db2.gz SKHLMTWYWAHNJW-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000429373715 566927098 /nfs/dbraw/zinc/92/70/98/566927098.db2.gz SKHLMTWYWAHNJW-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)c3ccc(Br)cc3)nc2c1 ZINC000611682537 566933721 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20 5 GGBDLO Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000054164975 1406635916 /nfs/dbraw/zinc/63/59/16/1406635916.db2.gz UZJXRCTUEDFWNM-OAHLLOKOSA-N 1 2 380.404 3.286 20 5 GGBDLO Cc1cccc(OC[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000054164976 1406636048 /nfs/dbraw/zinc/63/60/48/1406636048.db2.gz UZJXRCTUEDFWNM-HNNXBMFYSA-N 1 2 380.404 3.286 20 5 GGBDLO O=C(NC1CCN(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000054200025 1406651056 /nfs/dbraw/zinc/65/10/56/1406651056.db2.gz HMIMZINFISRIGK-UHFFFAOYSA-N 1 2 391.431 3.179 20 5 GGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054220841 1406656113 /nfs/dbraw/zinc/65/61/13/1406656113.db2.gz DMSLKQGAQUKEDF-CYBMUJFWSA-N 1 2 391.518 3.311 20 5 GGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054220841 1406656119 /nfs/dbraw/zinc/65/61/19/1406656119.db2.gz DMSLKQGAQUKEDF-CYBMUJFWSA-N 1 2 391.518 3.311 20 5 GGBDLO 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ZINC000015045749 1399134748 /nfs/dbraw/zinc/13/47/48/1399134748.db2.gz OPMLBACSGTULPK-UHFFFAOYSA-N 1 2 381.791 3.337 20 5 GGBDLO C[N@@H+](CCOc1ccccc1F)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000015045749 1399134751 /nfs/dbraw/zinc/13/47/51/1399134751.db2.gz OPMLBACSGTULPK-UHFFFAOYSA-N 1 2 381.791 3.337 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)CCOc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000015049073 1399135180 /nfs/dbraw/zinc/13/51/80/1399135180.db2.gz ABQUFRHSLRGCQM-UHFFFAOYSA-N 1 2 393.827 3.206 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)CCOc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000015049073 1399135185 /nfs/dbraw/zinc/13/51/85/1399135185.db2.gz ABQUFRHSLRGCQM-UHFFFAOYSA-N 1 2 393.827 3.206 20 5 GGBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000015117721 1399140988 /nfs/dbraw/zinc/14/09/88/1399140988.db2.gz SHGAXZGWTJMRMT-UHFFFAOYSA-N 1 2 386.412 3.051 20 5 GGBDLO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000015417938 1399162688 /nfs/dbraw/zinc/16/26/88/1399162688.db2.gz QFSQAXAFRHWVLS-UHFFFAOYSA-N 1 2 396.491 3.154 20 5 GGBDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016516225 1399246848 /nfs/dbraw/zinc/24/68/48/1399246848.db2.gz ITPGNSRLOWJQBQ-QZTJIDSGSA-N 1 2 396.491 3.025 20 5 GGBDLO C[C@H](CNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000016516233 1399246908 /nfs/dbraw/zinc/24/69/08/1399246908.db2.gz ITPGNSRLOWJQBQ-MSOLQXFVSA-N 1 2 396.491 3.025 20 5 GGBDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564607 1399249843 /nfs/dbraw/zinc/24/98/43/1399249843.db2.gz SBADXWAHSIYGOR-IRXDYDNUSA-N 1 2 394.475 3.083 20 5 GGBDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564601 1399250032 /nfs/dbraw/zinc/25/00/32/1399250032.db2.gz SBADXWAHSIYGOR-IAGOWNOFSA-N 1 2 394.475 3.083 20 5 GGBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016786780 1399262805 /nfs/dbraw/zinc/26/28/05/1399262805.db2.gz JKKMTZHCUKRJLM-VWMRQFFHSA-N 1 2 395.459 3.106 20 5 GGBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018826747 1399321347 /nfs/dbraw/zinc/32/13/47/1399321347.db2.gz OBABHHUSXKFSHF-UHFFFAOYSA-N 1 2 389.839 3.085 20 5 GGBDLO COCCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000055600890 1407022194 /nfs/dbraw/zinc/02/21/94/1407022194.db2.gz OJEONQDULUJYGN-UHFFFAOYSA-N 1 2 396.403 3.366 20 5 GGBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000021674520 1399399467 /nfs/dbraw/zinc/39/94/67/1399399467.db2.gz JQIAIUWWZIMJFP-QGZVFWFLSA-N 1 2 381.436 3.036 20 5 GGBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000021674524 1399399506 /nfs/dbraw/zinc/39/95/06/1399399506.db2.gz JQIAIUWWZIMJFP-KRWDZBQOSA-N 1 2 381.436 3.036 20 5 GGBDLO CNc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1[N+](=O)[O-] ZINC000022238394 1399446712 /nfs/dbraw/zinc/44/67/12/1399446712.db2.gz IALDFCHEBZGQEM-UHFFFAOYSA-N 1 2 375.454 3.331 20 5 GGBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000023238548 1399542877 /nfs/dbraw/zinc/54/28/77/1399542877.db2.gz JQCZYOPJOCMQQU-HZPDHXFCSA-N 1 2 385.468 3.094 20 5 GGBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000023245232 1399543579 /nfs/dbraw/zinc/54/35/79/1399543579.db2.gz ZNHKEDOEENUCBW-UHFFFAOYSA-N 1 2 375.450 3.013 20 5 GGBDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000023245232 1399543587 /nfs/dbraw/zinc/54/35/87/1399543587.db2.gz ZNHKEDOEENUCBW-UHFFFAOYSA-N 1 2 375.450 3.013 20 5 GGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023486821 1399564067 /nfs/dbraw/zinc/56/40/67/1399564067.db2.gz CVKZJPSTFCSWKL-YOCVDRLZSA-N 1 2 394.475 3.253 20 5 GGBDLO CN(C)c1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000023618958 1399575194 /nfs/dbraw/zinc/57/51/94/1399575194.db2.gz VVXHCSGTLHHQHP-UHFFFAOYSA-N 1 2 390.343 3.093 20 5 GGBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000023668388 1399579042 /nfs/dbraw/zinc/57/90/42/1399579042.db2.gz IQWRBCJTLPHINX-LBPRGKRZSA-N 1 2 375.375 3.455 20 5 GGBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000023668388 1399579044 /nfs/dbraw/zinc/57/90/44/1399579044.db2.gz IQWRBCJTLPHINX-LBPRGKRZSA-N 1 2 375.375 3.455 20 5 GGBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000023668385 1399579066 /nfs/dbraw/zinc/57/90/66/1399579066.db2.gz IQWRBCJTLPHINX-GFCCVEGCSA-N 1 2 375.375 3.455 20 5 GGBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000023668385 1399579067 /nfs/dbraw/zinc/57/90/67/1399579067.db2.gz IQWRBCJTLPHINX-GFCCVEGCSA-N 1 2 375.375 3.455 20 5 GGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000023993152 1399594713 /nfs/dbraw/zinc/59/47/13/1399594713.db2.gz TVSOVVZWENSYPZ-GOSISDBHSA-N 1 2 389.839 3.385 20 5 GGBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024250853 1399615858 /nfs/dbraw/zinc/61/58/58/1399615858.db2.gz MLPRCGWTGNNGRU-SNVBAGLBSA-N 1 2 393.346 3.233 20 5 GGBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024250853 1399615861 /nfs/dbraw/zinc/61/58/61/1399615861.db2.gz MLPRCGWTGNNGRU-SNVBAGLBSA-N 1 2 393.346 3.233 20 5 GGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000024750376 1399666845 /nfs/dbraw/zinc/66/68/45/1399666845.db2.gz AHYKPCBZNNCXTI-UHFFFAOYSA-N 1 2 382.445 3.492 20 5 GGBDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000025407589 1399806440 /nfs/dbraw/zinc/80/64/40/1399806440.db2.gz NLIYYWPVOHSQRF-BETUJISGSA-N 1 2 391.493 3.427 20 5 GGBDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000025407589 1399806443 /nfs/dbraw/zinc/80/64/43/1399806443.db2.gz NLIYYWPVOHSQRF-BETUJISGSA-N 1 2 391.493 3.427 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000025416912 1399806843 /nfs/dbraw/zinc/80/68/43/1399806843.db2.gz FZEAPOQPBQLOBE-NRFANRHFSA-N 1 2 392.415 3.316 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000025421577 1399807829 /nfs/dbraw/zinc/80/78/29/1399807829.db2.gz RUFFGZLYLAFVGJ-MRXNPFEDSA-N 1 2 383.404 3.142 20 5 GGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000025421577 1399807831 /nfs/dbraw/zinc/80/78/31/1399807831.db2.gz RUFFGZLYLAFVGJ-MRXNPFEDSA-N 1 2 383.404 3.142 20 5 GGBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc2c(c1)OCCO2 ZINC000025920019 1399846582 /nfs/dbraw/zinc/84/65/82/1399846582.db2.gz SEUOJXKDXHKZSR-UHFFFAOYSA-N 1 2 382.376 3.048 20 5 GGBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc2c(c1)OCCO2 ZINC000025920019 1399846584 /nfs/dbraw/zinc/84/65/84/1399846584.db2.gz SEUOJXKDXHKZSR-UHFFFAOYSA-N 1 2 382.376 3.048 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000026336609 1399879084 /nfs/dbraw/zinc/87/90/84/1399879084.db2.gz PPACLSOOZTZLJN-UHFFFAOYSA-N 1 2 388.493 3.111 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000026336618 1399879114 /nfs/dbraw/zinc/87/91/14/1399879114.db2.gz QYCFLPFXOSXZMP-UHFFFAOYSA-N 1 2 388.493 3.111 20 5 GGBDLO O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055716322 1407065940 /nfs/dbraw/zinc/06/59/40/1407065940.db2.gz SIPLCTQXADAVML-UHFFFAOYSA-N 1 2 392.350 3.358 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000027515938 1400050697 /nfs/dbraw/zinc/05/06/97/1400050697.db2.gz QRESQLGCEJETDD-OAHLLOKOSA-N 1 2 388.493 3.110 20 5 GGBDLO C[C@H](c1nnc(Sc2ncccc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000029001517 1400223904 /nfs/dbraw/zinc/22/39/04/1400223904.db2.gz HBWXJPLSHWUEQH-LLVKDONJSA-N 1 2 388.428 3.483 20 5 GGBDLO CN(C(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000029114586 1400243257 /nfs/dbraw/zinc/24/32/57/1400243257.db2.gz VXOKPHQTIQVSMK-KRWDZBQOSA-N 1 2 389.477 3.300 20 5 GGBDLO CN(C(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000029114586 1400243261 /nfs/dbraw/zinc/24/32/61/1400243261.db2.gz VXOKPHQTIQVSMK-KRWDZBQOSA-N 1 2 389.477 3.300 20 5 GGBDLO CC(C)Oc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055956357 1407148779 /nfs/dbraw/zinc/14/87/79/1407148779.db2.gz UFWTWCGPIGGSRH-UHFFFAOYSA-N 1 2 380.404 3.498 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000043121927 1403712700 /nfs/dbraw/zinc/71/27/00/1403712700.db2.gz QCAHUIPEKMJUJH-UHFFFAOYSA-N 1 2 381.392 3.170 20 5 GGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000043305609 1403743815 /nfs/dbraw/zinc/74/38/15/1403743815.db2.gz HMABRQDBOYETRR-HKMNZKMDSA-N 1 2 394.475 3.253 20 5 GGBDLO CCN(CC)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000044638452 1403971445 /nfs/dbraw/zinc/97/14/45/1403971445.db2.gz WDKMHDFZFJJBTR-UHFFFAOYSA-N 1 2 380.408 3.274 20 5 GGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056603193 1407376078 /nfs/dbraw/zinc/37/60/78/1407376078.db2.gz PAOGSZHDRWAANP-UHFFFAOYSA-N 1 2 375.388 3.251 20 5 GGBDLO CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045397940 1404113066 /nfs/dbraw/zinc/11/30/66/1404113066.db2.gz UKTVPIPSOYCAOV-UHFFFAOYSA-N 1 2 380.404 3.451 20 5 GGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000046343773 1404373612 /nfs/dbraw/zinc/37/36/12/1404373612.db2.gz JHOTUQDYICMURB-HOTGVXAUSA-N 1 2 383.448 3.385 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000046345053 1404374190 /nfs/dbraw/zinc/37/41/90/1404374190.db2.gz CAWAIKWRYZFHAQ-IYBDPMFKSA-N 1 2 399.447 3.222 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000046345053 1404374197 /nfs/dbraw/zinc/37/41/97/1404374197.db2.gz CAWAIKWRYZFHAQ-IYBDPMFKSA-N 1 2 399.447 3.222 20 5 GGBDLO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000047031364 1404680415 /nfs/dbraw/zinc/68/04/15/1404680415.db2.gz JAFYOPGYARGOAD-KRWDZBQOSA-N 1 2 393.465 3.002 20 5 GGBDLO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743134 1404915517 /nfs/dbraw/zinc/91/55/17/1404915517.db2.gz IXGQQBNLAYMUHJ-UHFFFAOYSA-N 1 2 396.491 3.154 20 5 GGBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000174630569 1427275207 /nfs/dbraw/zinc/27/52/07/1427275207.db2.gz JRUDWFPTLWMPNR-NSHDSACASA-N 1 2 393.827 3.421 20 5 GGBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000174630569 1427275229 /nfs/dbraw/zinc/27/52/29/1427275229.db2.gz JRUDWFPTLWMPNR-NSHDSACASA-N 1 2 393.827 3.421 20 5 GGBDLO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000050257301 1405532580 /nfs/dbraw/zinc/53/25/80/1405532580.db2.gz AXNXZZIZUSMWSD-UHFFFAOYSA-N 1 2 395.444 3.076 20 5 GGBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1C ZINC000050771409 1405649409 /nfs/dbraw/zinc/64/94/09/1405649409.db2.gz CQIGAYFWBUTYPV-UHFFFAOYSA-N 1 2 384.436 3.145 20 5 GGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000050898105 1405678880 /nfs/dbraw/zinc/67/88/80/1405678880.db2.gz HPWDMFILZZGEFP-QGZVFWFLSA-N 1 2 383.404 3.141 20 5 GGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000050898105 1405678897 /nfs/dbraw/zinc/67/88/97/1405678897.db2.gz HPWDMFILZZGEFP-QGZVFWFLSA-N 1 2 383.404 3.141 20 5 GGBDLO Cc1c(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)cccc1[N+](=O)[O-] ZINC000051704993 1405852824 /nfs/dbraw/zinc/85/28/24/1405852824.db2.gz YWTHYXUNOGVSMI-UHFFFAOYSA-N 1 2 399.476 3.333 20 5 GGBDLO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc2c(c1)OCO2 ZINC000052453593 1406056429 /nfs/dbraw/zinc/05/64/29/1406056429.db2.gz FXIIZBVFASNADC-UHFFFAOYSA-N 1 2 382.376 3.396 20 5 GGBDLO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc2c(c1)OCO2 ZINC000052453593 1406056442 /nfs/dbraw/zinc/05/64/42/1406056442.db2.gz FXIIZBVFASNADC-UHFFFAOYSA-N 1 2 382.376 3.396 20 5 GGBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)CC1 ZINC000057273890 1407577171 /nfs/dbraw/zinc/57/71/71/1407577171.db2.gz NLEXZJJZFPJSBR-UHFFFAOYSA-N 1 2 388.855 3.248 20 5 GGBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2c(c1)COCO2 ZINC000057442529 1407620401 /nfs/dbraw/zinc/62/04/01/1407620401.db2.gz KUALAEJESXITMP-UHFFFAOYSA-N 1 2 389.839 3.437 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000057457263 1407625929 /nfs/dbraw/zinc/62/59/29/1407625929.db2.gz ZUBSYHLUMSFVMR-INIZCTEOSA-N 1 2 397.431 3.450 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000057457263 1407625941 /nfs/dbraw/zinc/62/59/41/1407625941.db2.gz ZUBSYHLUMSFVMR-INIZCTEOSA-N 1 2 397.431 3.450 20 5 GGBDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057825065 1407730197 /nfs/dbraw/zinc/73/01/97/1407730197.db2.gz DAIACJRKRGKMCS-UHFFFAOYSA-N 1 2 376.420 3.082 20 5 GGBDLO CC[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000057860449 1407740580 /nfs/dbraw/zinc/74/05/80/1407740580.db2.gz VQUVAAVEVGUQGE-KRWDZBQOSA-N 1 2 389.477 3.052 20 5 GGBDLO O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000058292068 1407807738 /nfs/dbraw/zinc/80/77/38/1407807738.db2.gz PJAIBWQNKOBMBB-UHFFFAOYSA-N 1 2 376.332 3.083 20 5 GGBDLO C[C@H](COc1cccc(F)c1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000059890153 1407928229 /nfs/dbraw/zinc/92/82/29/1407928229.db2.gz SHKBXJOHKSPIDW-CYBMUJFWSA-N 1 2 384.367 3.117 20 5 GGBDLO O=[N+]([O-])c1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(F)c1 ZINC000060102965 1407939490 /nfs/dbraw/zinc/93/94/90/1407939490.db2.gz GBWYJXJSXCLHPY-UHFFFAOYSA-N 1 2 375.400 3.057 20 5 GGBDLO Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000060551355 1408000520 /nfs/dbraw/zinc/00/05/20/1408000520.db2.gz FXUJIOSQCZFQNB-UHFFFAOYSA-N 1 2 393.403 3.381 20 5 GGBDLO CCOc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000060677353 1408020959 /nfs/dbraw/zinc/02/09/59/1408020959.db2.gz XAJLGKWMPDQPNK-UHFFFAOYSA-N 1 2 375.450 3.013 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000063491919 1408363624 /nfs/dbraw/zinc/36/36/24/1408363624.db2.gz IRWVUQWLUVIXLW-NRFANRHFSA-N 1 2 383.448 3.287 20 5 GGBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000063656943 1408387818 /nfs/dbraw/zinc/38/78/18/1408387818.db2.gz WLUYQGWLEIRLKI-UHFFFAOYSA-N 1 2 397.347 3.031 20 5 GGBDLO CC1CCN(c2ccc(C(=O)NCCNc3cccc[nH+]3)cc2[N+](=O)[O-])CC1 ZINC000063706785 1408394602 /nfs/dbraw/zinc/39/46/02/1408394602.db2.gz XODOPJMDTUGEBG-UHFFFAOYSA-N 1 2 383.452 3.068 20 5 GGBDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350361 1408538285 /nfs/dbraw/zinc/53/82/85/1408538285.db2.gz WRJHMVPPQKOUQE-NRFANRHFSA-N 1 2 397.475 3.122 20 5 GGBDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350361 1408538289 /nfs/dbraw/zinc/53/82/89/1408538289.db2.gz WRJHMVPPQKOUQE-NRFANRHFSA-N 1 2 397.475 3.122 20 5 GGBDLO CN1CCCc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc21 ZINC000064847091 1408621364 /nfs/dbraw/zinc/62/13/64/1408621364.db2.gz BAPGZFNRYWQHOR-UHFFFAOYSA-N 1 2 377.404 3.415 20 5 GGBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000065511180 1408681396 /nfs/dbraw/zinc/68/13/96/1408681396.db2.gz CLHOWUZWELMKBD-QPJJXVBHSA-N 1 2 394.475 3.178 20 5 GGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000065682378 1408711443 /nfs/dbraw/zinc/71/14/43/1408711443.db2.gz SMJJSRRVASFUFP-UHFFFAOYSA-N 1 2 385.855 3.214 20 5 GGBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 ZINC000065756535 1408724768 /nfs/dbraw/zinc/72/47/68/1408724768.db2.gz BPTUGNODXBVAJT-UHFFFAOYSA-N 1 2 394.387 3.177 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065957246 1408762664 /nfs/dbraw/zinc/76/26/64/1408762664.db2.gz OWQOYJGMHYIVNJ-UHFFFAOYSA-N 1 2 398.463 3.143 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066849356 1408930863 /nfs/dbraw/zinc/93/08/63/1408930863.db2.gz YLVUFKLWRMCLED-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066849356 1408930866 /nfs/dbraw/zinc/93/08/66/1408930866.db2.gz YLVUFKLWRMCLED-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO O=C(c1ccccc1)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067376221 1409091598 /nfs/dbraw/zinc/09/15/98/1409091598.db2.gz MXLWPBJFZHXGRS-FQEVSTJZSA-N 1 2 393.443 3.295 20 5 GGBDLO Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000067523276 1409143026 /nfs/dbraw/zinc/14/30/26/1409143026.db2.gz JCNRXWFALUSYGC-UHFFFAOYSA-N 1 2 399.338 3.066 20 5 GGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000067827148 1409239358 /nfs/dbraw/zinc/23/93/58/1409239358.db2.gz UHYCOBGLEWPWGJ-MGPUTAFESA-N 1 2 392.415 3.383 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000067962406 1409264849 /nfs/dbraw/zinc/26/48/49/1409264849.db2.gz IRWVUQWLUVIXLW-OAQYLSRUSA-N 1 2 383.448 3.287 20 5 GGBDLO Cn1cc(C(=O)NCCCCNc2cccc[nH+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068422391 1409397470 /nfs/dbraw/zinc/39/74/70/1409397470.db2.gz PWHQUYBOUGIDTD-UHFFFAOYSA-N 1 2 394.435 3.012 20 5 GGBDLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c(N)c([N+](=O)[O-])c1 ZINC000068511575 1409422187 /nfs/dbraw/zinc/42/21/87/1409422187.db2.gz VMKAPRGHOBFQLE-LLVKDONJSA-N 1 2 389.481 3.426 20 5 GGBDLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c(N)c([N+](=O)[O-])c1 ZINC000068511575 1409422193 /nfs/dbraw/zinc/42/21/93/1409422193.db2.gz VMKAPRGHOBFQLE-LLVKDONJSA-N 1 2 389.481 3.426 20 5 GGBDLO Cc1noc([C@@H]2CCC[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)n1 ZINC000068962352 1409533528 /nfs/dbraw/zinc/53/35/28/1409533528.db2.gz RUZLESWJXZEEOQ-LLVKDONJSA-N 1 2 375.410 3.401 20 5 GGBDLO Cc1noc([C@@H]2CCC[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)n1 ZINC000068962352 1409533533 /nfs/dbraw/zinc/53/35/33/1409533533.db2.gz RUZLESWJXZEEOQ-LLVKDONJSA-N 1 2 375.410 3.401 20 5 GGBDLO C[NH+]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000070708745 1409756702 /nfs/dbraw/zinc/75/67/02/1409756702.db2.gz QVKZZMLEIZJYHS-UHFFFAOYSA-N 1 2 388.855 3.248 20 5 GGBDLO O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000072005349 1409836022 /nfs/dbraw/zinc/83/60/22/1409836022.db2.gz KJSSPZSJPZNCFE-UHFFFAOYSA-N 1 2 388.387 3.278 20 5 GGBDLO COc1ccc(OC)c(C[NH+]2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)c1 ZINC000072015151 1409837995 /nfs/dbraw/zinc/83/79/95/1409837995.db2.gz RTELURJPCVPQEL-UHFFFAOYSA-N 1 2 375.400 3.073 20 5 GGBDLO CC[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000072048648 1409841481 /nfs/dbraw/zinc/84/14/81/1409841481.db2.gz PYXGCVWTLYFCGN-LJQANCHMSA-N 1 2 389.477 3.052 20 5 GGBDLO C=CC(=O)Nc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1F ZINC000176743785 1428445227 /nfs/dbraw/zinc/44/52/27/1428445227.db2.gz GONHXHAXLABHHP-UHFFFAOYSA-N 1 2 395.350 3.296 20 5 GGBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000176748886 1428447401 /nfs/dbraw/zinc/44/74/01/1428447401.db2.gz HLBBVQFOGMELSU-IAGOWNOFSA-N 1 2 397.479 3.448 20 5 GGBDLO O=C(C[NH+]1CCC(OCc2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000091869318 1410088845 /nfs/dbraw/zinc/08/88/45/1410088845.db2.gz WZRLZLGEUNTZOI-UHFFFAOYSA-N 1 2 387.411 3.354 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H]3C[NH+]3CCOCC3)cs2)c1 ZINC000092217852 1410120975 /nfs/dbraw/zinc/12/09/75/1410120975.db2.gz QCODSWHUWIDDSF-GOSISDBHSA-N 1 2 388.493 3.015 20 5 GGBDLO NC(=O)N1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000092754240 1410196915 /nfs/dbraw/zinc/19/69/15/1410196915.db2.gz WGUYHJKGHCSYPN-UHFFFAOYSA-N 1 2 388.399 3.113 20 5 GGBDLO NC(=O)N1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000092754240 1410196925 /nfs/dbraw/zinc/19/69/25/1410196925.db2.gz WGUYHJKGHCSYPN-UHFFFAOYSA-N 1 2 388.399 3.113 20 5 GGBDLO O=C(COc1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCC1CC1 ZINC000093338338 1410235775 /nfs/dbraw/zinc/23/57/75/1410235775.db2.gz JOTDVKKRVQWHHT-UHFFFAOYSA-N 1 2 395.459 3.058 20 5 GGBDLO O=C(COc1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCC1CC1 ZINC000093338338 1410235780 /nfs/dbraw/zinc/23/57/80/1410235780.db2.gz JOTDVKKRVQWHHT-UHFFFAOYSA-N 1 2 395.459 3.058 20 5 GGBDLO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000093420983 1410245517 /nfs/dbraw/zinc/24/55/17/1410245517.db2.gz RESFCJNUBBLWMA-QWHCGFSZSA-N 1 2 396.465 3.117 20 5 GGBDLO COc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000093420983 1410245520 /nfs/dbraw/zinc/24/55/20/1410245520.db2.gz RESFCJNUBBLWMA-QWHCGFSZSA-N 1 2 396.465 3.117 20 5 GGBDLO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000093420991 1410246305 /nfs/dbraw/zinc/24/63/05/1410246305.db2.gz RESFCJNUBBLWMA-OLZOCXBDSA-N 1 2 396.465 3.117 20 5 GGBDLO COc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000093420991 1410246308 /nfs/dbraw/zinc/24/63/08/1410246308.db2.gz RESFCJNUBBLWMA-OLZOCXBDSA-N 1 2 396.465 3.117 20 5 GGBDLO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000093420988 1410246359 /nfs/dbraw/zinc/24/63/59/1410246359.db2.gz RESFCJNUBBLWMA-STQMWFEESA-N 1 2 396.465 3.117 20 5 GGBDLO COc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000093420988 1410246366 /nfs/dbraw/zinc/24/63/66/1410246366.db2.gz RESFCJNUBBLWMA-STQMWFEESA-N 1 2 396.465 3.117 20 5 GGBDLO CCCOc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000093608124 1410255480 /nfs/dbraw/zinc/25/54/80/1410255480.db2.gz IJZACANTCMBJOZ-UHFFFAOYSA-N 1 2 383.448 3.342 20 5 GGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000095458624 1410311878 /nfs/dbraw/zinc/31/18/78/1410311878.db2.gz FTCLHVXAOYPWFK-UHFFFAOYSA-N 1 2 384.352 3.177 20 5 GGBDLO Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c(C)[nH+]1 ZINC000097214122 1410359092 /nfs/dbraw/zinc/35/90/92/1410359092.db2.gz ALFRKRSJEQQBAZ-ZDUSSCGKSA-N 1 2 386.383 3.046 20 5 GGBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1SC ZINC000097547696 1410374885 /nfs/dbraw/zinc/37/48/85/1410374885.db2.gz HMSUQTZRACWRCS-UHFFFAOYSA-N 1 2 398.444 3.441 20 5 GGBDLO O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000097603639 1410384697 /nfs/dbraw/zinc/38/46/97/1410384697.db2.gz AOHSOLJTTWKFNT-UHFFFAOYSA-N 1 2 391.343 3.188 20 5 GGBDLO Cc1c(OC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000098105161 1410419541 /nfs/dbraw/zinc/41/95/41/1410419541.db2.gz SVZXVOAXPFQBGW-UHFFFAOYSA-N 1 2 394.387 3.348 20 5 GGBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000101567099 1410467643 /nfs/dbraw/zinc/46/76/43/1410467643.db2.gz FMKHXDWNCGHJAR-UHFFFAOYSA-N 1 2 385.420 3.310 20 5 GGBDLO COc1ccc(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000101567099 1410467651 /nfs/dbraw/zinc/46/76/51/1410467651.db2.gz FMKHXDWNCGHJAR-UHFFFAOYSA-N 1 2 385.420 3.310 20 5 GGBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000102082129 1410554337 /nfs/dbraw/zinc/55/43/37/1410554337.db2.gz UEJGHWQOPSSSBI-UHFFFAOYSA-N 1 2 398.463 3.258 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000102859922 1410802064 /nfs/dbraw/zinc/80/20/64/1410802064.db2.gz APCGOQGNYKHWQG-GOSISDBHSA-N 1 2 397.475 3.266 20 5 GGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000105389211 1411061954 /nfs/dbraw/zinc/06/19/54/1411061954.db2.gz RYJHFWAKDSNCJH-UHFFFAOYSA-N 1 2 382.445 3.248 20 5 GGBDLO Cc1cccc(C)c1OCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000107636572 1411394517 /nfs/dbraw/zinc/39/45/17/1411394517.db2.gz FBYZUZLGIWDQAM-UHFFFAOYSA-N 1 2 380.404 3.206 20 5 GGBDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000107699703 1411399663 /nfs/dbraw/zinc/39/96/63/1411399663.db2.gz NZSOBRMFNYCPNM-QZTJIDSGSA-N 1 2 396.491 3.025 20 5 GGBDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177039231 1428564374 /nfs/dbraw/zinc/56/43/74/1428564374.db2.gz OGJLSSRXNJLANT-AWEZNQCLSA-N 1 2 399.382 3.271 20 5 GGBDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177039231 1428564382 /nfs/dbraw/zinc/56/43/82/1428564382.db2.gz OGJLSSRXNJLANT-AWEZNQCLSA-N 1 2 399.382 3.271 20 5 GGBDLO COc1ccc(OC)c(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000108106089 1411438866 /nfs/dbraw/zinc/43/88/66/1411438866.db2.gz SKOACYGMZOYRSC-UHFFFAOYSA-N 1 2 385.464 3.238 20 5 GGBDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000108106089 1411438869 /nfs/dbraw/zinc/43/88/69/1411438869.db2.gz SKOACYGMZOYRSC-UHFFFAOYSA-N 1 2 385.464 3.238 20 5 GGBDLO CC(=O)N(C)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000109334792 1411744093 /nfs/dbraw/zinc/74/40/93/1411744093.db2.gz BYGYPMYITBXHIU-UHFFFAOYSA-N 1 2 379.376 3.016 20 5 GGBDLO COc1ccc(Cc2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)cc1 ZINC000109552559 1411785370 /nfs/dbraw/zinc/78/53/70/1411785370.db2.gz GRBVLEIYBHDPCW-UHFFFAOYSA-N 1 2 377.360 3.430 20 5 GGBDLO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1c(F)cccc1F ZINC000115518795 1412700769 /nfs/dbraw/zinc/70/07/69/1412700769.db2.gz IXQYGPBMQIEVEZ-KRWDZBQOSA-N 1 2 390.390 3.473 20 5 GGBDLO O=C(C[N@@H+]1CCSC[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000115559484 1412710903 /nfs/dbraw/zinc/71/09/03/1412710903.db2.gz RDDVBXMDPZISOP-IBGZPJMESA-N 1 2 383.473 3.274 20 5 GGBDLO O=C(C[N@H+]1CCSC[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000115559484 1412710918 /nfs/dbraw/zinc/71/09/18/1412710918.db2.gz RDDVBXMDPZISOP-IBGZPJMESA-N 1 2 383.473 3.274 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177292198 1428674581 /nfs/dbraw/zinc/67/45/81/1428674581.db2.gz ZZHTWTXDKHAOEB-UHFFFAOYSA-N 1 2 397.475 3.271 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177292198 1428674590 /nfs/dbraw/zinc/67/45/90/1428674590.db2.gz ZZHTWTXDKHAOEB-UHFFFAOYSA-N 1 2 397.475 3.271 20 5 GGBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1SC ZINC000116601567 1412885667 /nfs/dbraw/zinc/88/56/67/1412885667.db2.gz IRPRMVRYBGOMAR-UHFFFAOYSA-N 1 2 375.450 3.396 20 5 GGBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1SC ZINC000116601567 1412885669 /nfs/dbraw/zinc/88/56/69/1412885669.db2.gz IRPRMVRYBGOMAR-UHFFFAOYSA-N 1 2 375.450 3.396 20 5 GGBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000116644296 1412890756 /nfs/dbraw/zinc/89/07/56/1412890756.db2.gz XERZQPAVHKMMJF-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO Cc1ccc(OC2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000116882783 1412948097 /nfs/dbraw/zinc/94/80/97/1412948097.db2.gz WTVWSKOGIGEMLN-UHFFFAOYSA-N 1 2 395.459 3.336 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000117629077 1413058020 /nfs/dbraw/zinc/05/80/20/1413058020.db2.gz WHRMBJUZKPSDEH-UHFFFAOYSA-N 1 2 389.839 3.262 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000117649006 1413060165 /nfs/dbraw/zinc/06/01/65/1413060165.db2.gz WLDHIFBZNGDDLX-UHFFFAOYSA-N 1 2 384.823 3.352 20 5 GGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C)(O)CC2)c([N+](=O)[O-])c1 ZINC000177338899 1428698340 /nfs/dbraw/zinc/69/83/40/1428698340.db2.gz UMJUUMFHZODYKI-LJQANCHMSA-N 1 2 383.448 3.430 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000118161390 1413117462 /nfs/dbraw/zinc/11/74/62/1413117462.db2.gz AMQCQEJZBDIEIC-UHFFFAOYSA-N 1 2 376.369 3.029 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118835814 1413237532 /nfs/dbraw/zinc/23/75/32/1413237532.db2.gz JVHUDODOKSEDFF-KRWDZBQOSA-N 1 2 397.479 3.006 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000119027415 1413309430 /nfs/dbraw/zinc/30/94/30/1413309430.db2.gz LAOUPXNWGINNHV-ZDUSSCGKSA-N 1 2 379.457 3.210 20 5 GGBDLO C[C@H](c1ccco1)[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000119192855 1413371215 /nfs/dbraw/zinc/37/12/15/1413371215.db2.gz AFHQTSLPOCXBSV-MRXNPFEDSA-N 1 2 398.463 3.062 20 5 GGBDLO C[C@H](c1ccco1)[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000119192855 1413371221 /nfs/dbraw/zinc/37/12/21/1413371221.db2.gz AFHQTSLPOCXBSV-MRXNPFEDSA-N 1 2 398.463 3.062 20 5 GGBDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000177413077 1428725662 /nfs/dbraw/zinc/72/56/62/1428725662.db2.gz RKDFAEBAERJVKH-FZKQIMNGSA-N 1 2 396.403 3.285 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)co2)cc1 ZINC000119449647 1413450920 /nfs/dbraw/zinc/45/09/20/1413450920.db2.gz LNHCVXAZHHECPO-HNNXBMFYSA-N 1 2 385.342 3.385 20 5 GGBDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000177409972 1428724181 /nfs/dbraw/zinc/72/41/81/1428724181.db2.gz QYLJELSGPLAWMH-FZKQIMNGSA-N 1 2 396.403 3.285 20 5 GGBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000119496778 1413465962 /nfs/dbraw/zinc/46/59/62/1413465962.db2.gz GKYJYRIZNBMCOP-UHFFFAOYSA-N 1 2 379.781 3.202 20 5 GGBDLO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177426278 1428732099 /nfs/dbraw/zinc/73/20/99/1428732099.db2.gz MMJNMNVSPKMYKH-IFXJQAMLSA-N 1 2 380.404 3.023 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC2(C1)CCCCCC2 ZINC000119738706 1413550255 /nfs/dbraw/zinc/55/02/55/1413550255.db2.gz YCNRMADLKBDSIF-UHFFFAOYSA-N 1 2 384.436 3.346 20 5 GGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120046326 1413666514 /nfs/dbraw/zinc/66/65/14/1413666514.db2.gz HASVRFDGKUAFMR-GJZGRUSLSA-N 1 2 388.493 3.290 20 5 GGBDLO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120141125 1413704013 /nfs/dbraw/zinc/70/40/13/1413704013.db2.gz DLVOAOPSJUGIAT-HOTGVXAUSA-N 1 2 385.468 3.362 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000120325407 1413787310 /nfs/dbraw/zinc/78/73/10/1413787310.db2.gz CVHHHVNGZYGXMQ-KRWDZBQOSA-N 1 2 379.457 3.188 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000120616853 1413856303 /nfs/dbraw/zinc/85/63/03/1413856303.db2.gz QPEUPNSIVRZWHJ-UHFFFAOYSA-N 1 2 387.436 3.461 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000120616853 1413856305 /nfs/dbraw/zinc/85/63/05/1413856305.db2.gz QPEUPNSIVRZWHJ-UHFFFAOYSA-N 1 2 387.436 3.461 20 5 GGBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120827522 1413917424 /nfs/dbraw/zinc/91/74/24/1413917424.db2.gz ZDRCDTDLPPXZFE-UHFFFAOYSA-N 1 2 392.415 3.228 20 5 GGBDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)c1 ZINC000120894385 1413940500 /nfs/dbraw/zinc/94/05/00/1413940500.db2.gz VQMCDIWMPIZNFF-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO Cc1nn(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121114860 1414012887 /nfs/dbraw/zinc/01/28/87/1414012887.db2.gz MDOCARQEEXXORJ-CQSZACIVSA-N 1 2 389.456 3.200 20 5 GGBDLO Cc1nn(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121114860 1414012888 /nfs/dbraw/zinc/01/28/88/1414012888.db2.gz MDOCARQEEXXORJ-CQSZACIVSA-N 1 2 389.456 3.200 20 5 GGBDLO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121115535 1414013110 /nfs/dbraw/zinc/01/31/10/1414013110.db2.gz VCWDNNGYJYUURY-MRXNPFEDSA-N 1 2 396.428 3.407 20 5 GGBDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121122933 1414015755 /nfs/dbraw/zinc/01/57/55/1414015755.db2.gz XJEWMBUAPAVDSR-UHFFFAOYSA-N 1 2 397.435 3.061 20 5 GGBDLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121122933 1414015759 /nfs/dbraw/zinc/01/57/59/1414015759.db2.gz XJEWMBUAPAVDSR-UHFFFAOYSA-N 1 2 397.435 3.061 20 5 GGBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000121183144 1414036554 /nfs/dbraw/zinc/03/65/54/1414036554.db2.gz GLRNTQMDSOUSCK-UHFFFAOYSA-N 1 2 379.363 3.188 20 5 GGBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000121183144 1414036555 /nfs/dbraw/zinc/03/65/55/1414036555.db2.gz GLRNTQMDSOUSCK-UHFFFAOYSA-N 1 2 379.363 3.188 20 5 GGBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000121444841 1414125139 /nfs/dbraw/zinc/12/51/39/1414125139.db2.gz ZNLPTOXMKSEDLY-UHFFFAOYSA-N 1 2 396.403 3.102 20 5 GGBDLO O=C(OCc1cccc(-n2cccn2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000122480646 1414475928 /nfs/dbraw/zinc/47/59/28/1414475928.db2.gz LLPGXJCYMLYEKA-UHFFFAOYSA-N 1 2 389.371 3.323 20 5 GGBDLO Cn1cc(Br)cc1C[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000122715534 1414546268 /nfs/dbraw/zinc/54/62/68/1414546268.db2.gz XPRZDHLOMLYKGD-UHFFFAOYSA-N 1 2 378.230 3.135 20 5 GGBDLO Cn1cc(Br)cc1C[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000122715534 1414546273 /nfs/dbraw/zinc/54/62/73/1414546273.db2.gz XPRZDHLOMLYKGD-UHFFFAOYSA-N 1 2 378.230 3.135 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000122964550 1414608331 /nfs/dbraw/zinc/60/83/31/1414608331.db2.gz FMIDSBLAPOWEKL-UHFFFAOYSA-N 1 2 385.355 3.250 20 5 GGBDLO C[C@]1(c2ccccc2)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000177699988 1428836802 /nfs/dbraw/zinc/83/68/02/1428836802.db2.gz YYNMZWOWFUZHFO-OAQYLSRUSA-N 1 2 392.415 3.168 20 5 GGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000123756003 1414820479 /nfs/dbraw/zinc/82/04/79/1414820479.db2.gz MMPWQKGERDONSZ-UHFFFAOYSA-N 1 2 394.431 3.090 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177725936 1428843257 /nfs/dbraw/zinc/84/32/57/1428843257.db2.gz PYBDIYJDVUWWPS-ASHKIFAZSA-N 1 2 389.477 3.272 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177725936 1428843259 /nfs/dbraw/zinc/84/32/59/1428843259.db2.gz PYBDIYJDVUWWPS-ASHKIFAZSA-N 1 2 389.477 3.272 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000177731530 1428844505 /nfs/dbraw/zinc/84/45/05/1428844505.db2.gz CNTCJJVEIUXSBK-PWFNWSNSSA-N 1 2 389.477 3.272 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000177731530 1428844508 /nfs/dbraw/zinc/84/45/08/1428844508.db2.gz CNTCJJVEIUXSBK-PWFNWSNSSA-N 1 2 389.477 3.272 20 5 GGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124153771 1414896592 /nfs/dbraw/zinc/89/65/92/1414896592.db2.gz NEGDTHAMVFGJPA-QGZVFWFLSA-N 1 2 375.812 3.088 20 5 GGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124153771 1414896595 /nfs/dbraw/zinc/89/65/95/1414896595.db2.gz NEGDTHAMVFGJPA-QGZVFWFLSA-N 1 2 375.812 3.088 20 5 GGBDLO Cc1c(CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cccc1[N+](=O)[O-] ZINC000125696076 1415256671 /nfs/dbraw/zinc/25/66/71/1415256671.db2.gz JBQLBPHHNPDCJV-UHFFFAOYSA-N 1 2 396.491 3.297 20 5 GGBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000125741214 1415267512 /nfs/dbraw/zinc/26/75/12/1415267512.db2.gz OVSVSUCSAFJBDQ-ZBFHGGJFSA-N 1 2 376.434 3.086 20 5 GGBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000125741214 1415267518 /nfs/dbraw/zinc/26/75/18/1415267518.db2.gz OVSVSUCSAFJBDQ-ZBFHGGJFSA-N 1 2 376.434 3.086 20 5 GGBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125787655 1415280820 /nfs/dbraw/zinc/28/08/20/1415280820.db2.gz ZXFXUWJUKJYYAN-LRDDRELGSA-N 1 2 376.434 3.086 20 5 GGBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125787655 1415280827 /nfs/dbraw/zinc/28/08/27/1415280827.db2.gz ZXFXUWJUKJYYAN-LRDDRELGSA-N 1 2 376.434 3.086 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000126069391 1415350199 /nfs/dbraw/zinc/35/01/99/1415350199.db2.gz IGYSOCIUCUNDKA-UHFFFAOYSA-N 1 2 398.463 3.176 20 5 GGBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000126309988 1415413935 /nfs/dbraw/zinc/41/39/35/1415413935.db2.gz WIJAHSZFVQSLLL-ZDUSSCGKSA-N 1 2 388.449 3.489 20 5 GGBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000126309988 1415413942 /nfs/dbraw/zinc/41/39/42/1415413942.db2.gz WIJAHSZFVQSLLL-ZDUSSCGKSA-N 1 2 388.449 3.489 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126421006 1415447700 /nfs/dbraw/zinc/44/77/00/1415447700.db2.gz DSFCVCHIXGGMKP-QGZVFWFLSA-N 1 2 375.812 3.088 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126421006 1415447704 /nfs/dbraw/zinc/44/77/04/1415447704.db2.gz DSFCVCHIXGGMKP-QGZVFWFLSA-N 1 2 375.812 3.088 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000126503482 1415472166 /nfs/dbraw/zinc/47/21/66/1415472166.db2.gz QADIGMCZANMONQ-DNVCBOLYSA-N 1 2 383.452 3.115 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000126708432 1415533732 /nfs/dbraw/zinc/53/37/32/1415533732.db2.gz UQCCWMZIFPKOGU-UHFFFAOYSA-N 1 2 395.463 3.484 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000126807839 1415566216 /nfs/dbraw/zinc/56/62/16/1415566216.db2.gz YSAPVCPHFBNLFL-XJKSGUPXSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000126807839 1415566225 /nfs/dbraw/zinc/56/62/25/1415566225.db2.gz YSAPVCPHFBNLFL-XJKSGUPXSA-N 1 2 395.868 3.111 20 5 GGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000127045294 1415646825 /nfs/dbraw/zinc/64/68/25/1415646825.db2.gz TUGRECHPJHNQSO-UHFFFAOYSA-N 1 2 391.431 3.311 20 5 GGBDLO CC1CCN(c2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)cc2[N+](=O)[O-])CC1 ZINC000178069784 1428968756 /nfs/dbraw/zinc/96/87/56/1428968756.db2.gz LBVRCXNTHJHWMW-UHFFFAOYSA-N 1 2 393.447 3.409 20 5 GGBDLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)n2)CC1 ZINC000127115842 1415663929 /nfs/dbraw/zinc/66/39/29/1415663929.db2.gz AAGVSYAXUKKPAO-UHFFFAOYSA-N 1 2 393.444 3.257 20 5 GGBDLO C[N@H+](CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000127228681 1415695175 /nfs/dbraw/zinc/69/51/75/1415695175.db2.gz MOKCWFMPEHZYEO-UHFFFAOYSA-N 1 2 381.388 3.425 20 5 GGBDLO C[N@@H+](CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000127228681 1415695181 /nfs/dbraw/zinc/69/51/81/1415695181.db2.gz MOKCWFMPEHZYEO-UHFFFAOYSA-N 1 2 381.388 3.425 20 5 GGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000127379558 1415759265 /nfs/dbraw/zinc/75/92/65/1415759265.db2.gz DGPBESCZSXCRDJ-HNNXBMFYSA-N 1 2 388.493 3.287 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000127730182 1415840043 /nfs/dbraw/zinc/84/00/43/1415840043.db2.gz UOORANRNCYABIX-UHFFFAOYSA-N 1 2 381.791 3.466 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000127730182 1415840047 /nfs/dbraw/zinc/84/00/47/1415840047.db2.gz UOORANRNCYABIX-UHFFFAOYSA-N 1 2 381.791 3.466 20 5 GGBDLO O=C(NCCc1nc2ccccc2s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000128017029 1415893835 /nfs/dbraw/zinc/89/38/35/1415893835.db2.gz NJSJEXQYMGYCMC-UHFFFAOYSA-N 1 2 393.428 3.363 20 5 GGBDLO COc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000128684909 1416042492 /nfs/dbraw/zinc/04/24/92/1416042492.db2.gz KHEFIMYGDFWYRW-CYBMUJFWSA-N 1 2 375.450 3.184 20 5 GGBDLO O=C(CC[N@@H+]1CCc2c(F)ccc(F)c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128866856 1416088331 /nfs/dbraw/zinc/08/83/31/1416088331.db2.gz MNOHYZBYNUXWER-UHFFFAOYSA-N 1 2 379.338 3.399 20 5 GGBDLO O=C(CC[N@H+]1CCc2c(F)ccc(F)c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128866856 1416088338 /nfs/dbraw/zinc/08/83/38/1416088338.db2.gz MNOHYZBYNUXWER-UHFFFAOYSA-N 1 2 379.338 3.399 20 5 GGBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178355463 1429059836 /nfs/dbraw/zinc/05/98/36/1429059836.db2.gz CXKUBPUJTBDQIU-UHFFFAOYSA-N 1 2 379.401 3.296 20 5 GGBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000129118693 1416149669 /nfs/dbraw/zinc/14/96/69/1416149669.db2.gz PRRHGLXYCPFFRT-CQSZACIVSA-N 1 2 395.506 3.309 20 5 GGBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000129438150 1416209683 /nfs/dbraw/zinc/20/96/83/1416209683.db2.gz RXJLIUVFGRGNOK-UHFFFAOYSA-N 1 2 395.419 3.235 20 5 GGBDLO CCOC(=O)c1ccc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000129613511 1416237275 /nfs/dbraw/zinc/23/72/75/1416237275.db2.gz ZHLHGKMRNJKJDK-FNORWQNLSA-N 1 2 396.447 3.002 20 5 GGBDLO O=C(NCCc1cc2ccccc2[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178498783 1429090919 /nfs/dbraw/zinc/09/09/19/1429090919.db2.gz YHMQDLRPLKFLOX-UHFFFAOYSA-N 1 2 375.388 3.234 20 5 GGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000130274701 1416350094 /nfs/dbraw/zinc/35/00/94/1416350094.db2.gz UXTLDUCJGCVMGM-UHFFFAOYSA-N 1 2 396.403 3.057 20 5 GGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000130274701 1416350099 /nfs/dbraw/zinc/35/00/99/1416350099.db2.gz UXTLDUCJGCVMGM-UHFFFAOYSA-N 1 2 396.403 3.057 20 5 GGBDLO CN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000130433735 1416377407 /nfs/dbraw/zinc/37/74/07/1416377407.db2.gz HBJOPDFHMWVKMS-UHFFFAOYSA-N 1 2 384.392 3.130 20 5 GGBDLO CN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000130433735 1416377410 /nfs/dbraw/zinc/37/74/10/1416377410.db2.gz HBJOPDFHMWVKMS-UHFFFAOYSA-N 1 2 384.392 3.130 20 5 GGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000130621169 1416412587 /nfs/dbraw/zinc/41/25/87/1416412587.db2.gz FHSWFJYANRVONE-AWEZNQCLSA-N 1 2 377.832 3.364 20 5 GGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000130621169 1416412592 /nfs/dbraw/zinc/41/25/92/1416412592.db2.gz FHSWFJYANRVONE-AWEZNQCLSA-N 1 2 377.832 3.364 20 5 GGBDLO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000130639291 1416415370 /nfs/dbraw/zinc/41/53/70/1416415370.db2.gz GBSGHLSTIYCZTL-YLJYHZDGSA-N 1 2 392.415 3.431 20 5 GGBDLO COc1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(OC)c1 ZINC000130753257 1416442168 /nfs/dbraw/zinc/44/21/68/1416442168.db2.gz BQNUONGVCRZHRL-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO COc1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(OC)c1 ZINC000130753257 1416442169 /nfs/dbraw/zinc/44/21/69/1416442169.db2.gz BQNUONGVCRZHRL-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO COc1ccccc1CN(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130826416 1416461565 /nfs/dbraw/zinc/46/15/65/1416461565.db2.gz YARDITACLGCVTP-UHFFFAOYSA-N 1 2 383.448 3.226 20 5 GGBDLO COc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130826416 1416461570 /nfs/dbraw/zinc/46/15/70/1416461570.db2.gz YARDITACLGCVTP-UHFFFAOYSA-N 1 2 383.448 3.226 20 5 GGBDLO O=C(O[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000132011538 1416672786 /nfs/dbraw/zinc/67/27/86/1416672786.db2.gz AOFZMTRBIOHMMH-FHLIZLRMSA-N 1 2 383.404 3.285 20 5 GGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000132110574 1416698453 /nfs/dbraw/zinc/69/84/53/1416698453.db2.gz ACXLJGBTLKIIOH-HNNXBMFYSA-N 1 2 381.310 3.302 20 5 GGBDLO CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)C1CC[NH+](C)CC1 ZINC000132339094 1416740530 /nfs/dbraw/zinc/74/05/30/1416740530.db2.gz CXNJYAOJSDLDNJ-UHFFFAOYSA-N 1 2 384.436 3.083 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000132370432 1416747234 /nfs/dbraw/zinc/74/72/34/1416747234.db2.gz RNLAPMUEUJWJEV-UHFFFAOYSA-N 1 2 386.427 3.199 20 5 GGBDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000133087985 1416850389 /nfs/dbraw/zinc/85/03/89/1416850389.db2.gz NMGZSTHJYLBWRO-HKUYNNGSSA-N 1 2 393.365 3.116 20 5 GGBDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000133087985 1416850390 /nfs/dbraw/zinc/85/03/90/1416850390.db2.gz NMGZSTHJYLBWRO-HKUYNNGSSA-N 1 2 393.365 3.116 20 5 GGBDLO CCOC(=O)c1ccnc(NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000133327258 1416878779 /nfs/dbraw/zinc/87/87/79/1416878779.db2.gz PNGLJAZTYVLAOA-UHFFFAOYSA-N 1 2 381.392 3.023 20 5 GGBDLO CCOC(=O)c1ccnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000133460428 1416891874 /nfs/dbraw/zinc/89/18/74/1416891874.db2.gz BQKACTSAANBQHD-UHFFFAOYSA-N 1 2 385.355 3.103 20 5 GGBDLO CCOCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000133646333 1416929595 /nfs/dbraw/zinc/92/95/95/1416929595.db2.gz IWCPXOJQHBOAAI-UHFFFAOYSA-N 1 2 386.452 3.497 20 5 GGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000133704015 1416946750 /nfs/dbraw/zinc/94/67/50/1416946750.db2.gz XTLGVUJPZSSDSZ-UHFFFAOYSA-N 1 2 389.415 3.180 20 5 GGBDLO COc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000133875530 1416985275 /nfs/dbraw/zinc/98/52/75/1416985275.db2.gz XJGFEDVBUSFVRY-INIZCTEOSA-N 1 2 394.374 3.297 20 5 GGBDLO COc1cc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000133875530 1416985282 /nfs/dbraw/zinc/98/52/82/1416985282.db2.gz XJGFEDVBUSFVRY-INIZCTEOSA-N 1 2 394.374 3.297 20 5 GGBDLO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000133920432 1416995272 /nfs/dbraw/zinc/99/52/72/1416995272.db2.gz ROSNRQBNDJQOSY-UHFFFAOYSA-N 1 2 377.828 3.158 20 5 GGBDLO CC(=O)c1cccc(OC[C@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135218257 1417190232 /nfs/dbraw/zinc/19/02/32/1417190232.db2.gz NBEMFOJIOZLDGW-LJQANCHMSA-N 1 2 384.432 3.202 20 5 GGBDLO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135218257 1417190233 /nfs/dbraw/zinc/19/02/33/1417190233.db2.gz NBEMFOJIOZLDGW-LJQANCHMSA-N 1 2 384.432 3.202 20 5 GGBDLO O=C(NCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000135884284 1417276032 /nfs/dbraw/zinc/27/60/32/1417276032.db2.gz OMAPKHLZEQAWOB-UHFFFAOYSA-N 1 2 399.838 3.487 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000178798484 1429173816 /nfs/dbraw/zinc/17/38/16/1429173816.db2.gz ONUQHTLEFLHKEJ-PWFNWSNSSA-N 1 2 389.477 3.100 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000178798484 1429173821 /nfs/dbraw/zinc/17/38/21/1429173821.db2.gz ONUQHTLEFLHKEJ-PWFNWSNSSA-N 1 2 389.477 3.100 20 5 GGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000136892303 1417353234 /nfs/dbraw/zinc/35/32/34/1417353234.db2.gz QVXCNSSJELORRD-IBGZPJMESA-N 1 2 375.856 3.099 20 5 GGBDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137036715 1417363910 /nfs/dbraw/zinc/36/39/10/1417363910.db2.gz DIJOSAQMAMAEIO-VBKZILBWSA-N 1 2 391.418 3.285 20 5 GGBDLO Cc1cc(-c2noc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)ccc1F ZINC000137512033 1417389176 /nfs/dbraw/zinc/38/91/76/1417389176.db2.gz HIWDDYSPFMZDKP-CQSZACIVSA-N 1 2 398.398 3.174 20 5 GGBDLO Cc1cc(-c2noc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)ccc1F ZINC000137512033 1417389180 /nfs/dbraw/zinc/38/91/80/1417389180.db2.gz HIWDDYSPFMZDKP-CQSZACIVSA-N 1 2 398.398 3.174 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c2ccncc21 ZINC000139588219 1417465760 /nfs/dbraw/zinc/46/57/60/1417465760.db2.gz BHPFUZDFNBADHR-UHFFFAOYSA-N 1 2 388.431 3.113 20 5 GGBDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000140801311 1417516616 /nfs/dbraw/zinc/51/66/16/1417516616.db2.gz JBEVKAWYCZVVHT-UHFFFAOYSA-N 1 2 387.436 3.420 20 5 GGBDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000140801311 1417516629 /nfs/dbraw/zinc/51/66/29/1417516629.db2.gz JBEVKAWYCZVVHT-UHFFFAOYSA-N 1 2 387.436 3.420 20 5 GGBDLO CCOC(=O)c1ccnc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000150843236 1417818500 /nfs/dbraw/zinc/81/85/00/1417818500.db2.gz OGCALENRGPGLGM-CQSZACIVSA-N 1 2 394.378 3.160 20 5 GGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178891226 1429212597 /nfs/dbraw/zinc/21/25/97/1429212597.db2.gz CLKVKHFEDOBTJZ-QGZVFWFLSA-N 1 2 383.452 3.189 20 5 GGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000151187473 1417890277 /nfs/dbraw/zinc/89/02/77/1417890277.db2.gz WATDECMTGSPACK-GFCCVEGCSA-N 1 2 396.369 3.442 20 5 GGBDLO Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000151239267 1417899943 /nfs/dbraw/zinc/89/99/43/1417899943.db2.gz WJUVFKVHCWZTHW-HXUWFJFHSA-N 1 2 392.415 3.303 20 5 GGBDLO CC[N@H+](CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000151259798 1417906611 /nfs/dbraw/zinc/90/66/11/1417906611.db2.gz RNQKZWPHBFOFEC-UHFFFAOYSA-N 1 2 383.404 3.237 20 5 GGBDLO CC[N@@H+](CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000151259798 1417906614 /nfs/dbraw/zinc/90/66/14/1417906614.db2.gz RNQKZWPHBFOFEC-UHFFFAOYSA-N 1 2 383.404 3.237 20 5 GGBDLO CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179120628 1429268325 /nfs/dbraw/zinc/26/83/25/1429268325.db2.gz IIHRIFWKJVWCCO-GOSISDBHSA-N 1 2 394.431 3.194 20 5 GGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000179580516 1429450866 /nfs/dbraw/zinc/45/08/66/1429450866.db2.gz ZEXSKUTUTMLIIG-UHFFFAOYSA-N 1 2 396.403 3.118 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1C ZINC000179687906 1429507611 /nfs/dbraw/zinc/50/76/11/1429507611.db2.gz LNLHNPZZZBFADY-UHFFFAOYSA-N 1 2 380.404 3.436 20 5 GGBDLO C[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153726969 1422725348 /nfs/dbraw/zinc/72/53/48/1422725348.db2.gz BXVDNJUUAOPTRE-GFCCVEGCSA-N 1 2 399.373 3.065 20 5 GGBDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000153878980 1422804253 /nfs/dbraw/zinc/80/42/53/1422804253.db2.gz PDFJGTUBBIWMAS-LJQANCHMSA-N 1 2 383.404 3.424 20 5 GGBDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000153878980 1422804254 /nfs/dbraw/zinc/80/42/54/1422804254.db2.gz PDFJGTUBBIWMAS-LJQANCHMSA-N 1 2 383.404 3.424 20 5 GGBDLO CCc1nsc(N2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000154089038 1422838647 /nfs/dbraw/zinc/83/86/47/1422838647.db2.gz WFSPSRNCOGVWEP-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO CCc1nsc(N2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000154089038 1422838648 /nfs/dbraw/zinc/83/86/48/1422838648.db2.gz WFSPSRNCOGVWEP-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000154219571 1422857318 /nfs/dbraw/zinc/85/73/18/1422857318.db2.gz GPDVMTYSOIDKTL-QZTJIDSGSA-N 1 2 389.839 3.019 20 5 GGBDLO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000154219571 1422857321 /nfs/dbraw/zinc/85/73/21/1422857321.db2.gz GPDVMTYSOIDKTL-QZTJIDSGSA-N 1 2 389.839 3.019 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154554585 1422926319 /nfs/dbraw/zinc/92/63/19/1422926319.db2.gz MJJQCDSWXIEPTM-OALUTQOASA-N 1 2 399.447 3.048 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154554585 1422926344 /nfs/dbraw/zinc/92/63/44/1422926344.db2.gz MJJQCDSWXIEPTM-OALUTQOASA-N 1 2 399.447 3.048 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154554698 1422926493 /nfs/dbraw/zinc/92/64/93/1422926493.db2.gz MJJQCDSWXIEPTM-MOPGFXCFSA-N 1 2 399.447 3.048 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154554698 1422926509 /nfs/dbraw/zinc/92/65/09/1422926509.db2.gz MJJQCDSWXIEPTM-MOPGFXCFSA-N 1 2 399.447 3.048 20 5 GGBDLO C[N@H+](CCOCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154612309 1422961479 /nfs/dbraw/zinc/96/14/79/1422961479.db2.gz YZRPZDFFNFLMDX-UHFFFAOYSA-N 1 2 377.828 3.335 20 5 GGBDLO C[N@@H+](CCOCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154612309 1422961504 /nfs/dbraw/zinc/96/15/04/1422961504.db2.gz YZRPZDFFNFLMDX-UHFFFAOYSA-N 1 2 377.828 3.335 20 5 GGBDLO Cc1cccc(NC(=O)N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000154626912 1422971011 /nfs/dbraw/zinc/97/10/11/1422971011.db2.gz QDWFIXJGQPNSQQ-UHFFFAOYSA-N 1 2 384.436 3.132 20 5 GGBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2)CC1 ZINC000154699979 1423004838 /nfs/dbraw/zinc/00/48/38/1423004838.db2.gz MTSXEXHPHKYTEY-UHFFFAOYSA-N 1 2 388.855 3.248 20 5 GGBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000154787051 1423032572 /nfs/dbraw/zinc/03/25/72/1423032572.db2.gz TZHCMFLJLPIIJL-IAGOWNOFSA-N 1 2 399.495 3.436 20 5 GGBDLO Cc1cccc([C@H]2CCC[N@@H+]2CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000154792955 1423034479 /nfs/dbraw/zinc/03/44/79/1423034479.db2.gz VZPFVLCLYBTAGT-QGZVFWFLSA-N 1 2 381.436 3.335 20 5 GGBDLO Cc1cccc([C@H]2CCC[N@H+]2CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000154792955 1423034488 /nfs/dbraw/zinc/03/44/88/1423034488.db2.gz VZPFVLCLYBTAGT-QGZVFWFLSA-N 1 2 381.436 3.335 20 5 GGBDLO Cc1cccc([C@@H]2CCC[N@@H+]2CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000154792850 1423034699 /nfs/dbraw/zinc/03/46/99/1423034699.db2.gz VZPFVLCLYBTAGT-KRWDZBQOSA-N 1 2 381.436 3.335 20 5 GGBDLO Cc1cccc([C@@H]2CCC[N@H+]2CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000154792850 1423034705 /nfs/dbraw/zinc/03/47/05/1423034705.db2.gz VZPFVLCLYBTAGT-KRWDZBQOSA-N 1 2 381.436 3.335 20 5 GGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000155757842 1423520615 /nfs/dbraw/zinc/52/06/15/1423520615.db2.gz HXYFFZLSMDIALZ-SCLBCKFNSA-N 1 2 398.444 3.444 20 5 GGBDLO Cc1cc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)nc(C(C)C)[nH+]1 ZINC000156079761 1423662948 /nfs/dbraw/zinc/66/29/48/1423662948.db2.gz UYYYGQFWKQRBQL-UHFFFAOYSA-N 1 2 398.467 3.479 20 5 GGBDLO COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000156714734 1423852895 /nfs/dbraw/zinc/85/28/95/1423852895.db2.gz CZHUDKYHHDVWGC-QGZVFWFLSA-N 1 2 377.466 3.288 20 5 GGBDLO CC(C)(C)Oc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000179995982 1429681182 /nfs/dbraw/zinc/68/11/82/1429681182.db2.gz WLUPJSFTAYKDEW-UHFFFAOYSA-N 1 2 395.419 3.283 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](C3CC3)[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000157023829 1423905167 /nfs/dbraw/zinc/90/51/67/1423905167.db2.gz OZZSRKPPIGAHAQ-MRXNPFEDSA-N 1 2 376.434 3.006 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](C3CC3)[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000157023829 1423905173 /nfs/dbraw/zinc/90/51/73/1423905173.db2.gz OZZSRKPPIGAHAQ-MRXNPFEDSA-N 1 2 376.434 3.006 20 5 GGBDLO CCc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000157065763 1423915264 /nfs/dbraw/zinc/91/52/64/1423915264.db2.gz AWTWABCTMSMFNK-UHFFFAOYSA-N 1 2 382.424 3.448 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000180038855 1429707910 /nfs/dbraw/zinc/70/79/10/1429707910.db2.gz YDWAAMSHFMVXJK-QGZVFWFLSA-N 1 2 379.457 3.188 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2c(Cl)cccc21 ZINC000158268740 1424214537 /nfs/dbraw/zinc/21/45/37/1424214537.db2.gz RSAUCXFEFNSUGY-UHFFFAOYSA-N 1 2 384.779 3.473 20 5 GGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000158324075 1424225891 /nfs/dbraw/zinc/22/58/91/1424225891.db2.gz YDPAISZMXCCUKR-GFCCVEGCSA-N 1 2 385.449 3.052 20 5 GGBDLO C[C@@H](O)C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000158883315 1424363874 /nfs/dbraw/zinc/36/38/74/1424363874.db2.gz GVDRIMAMHSCUBI-QAPCUYQASA-N 1 2 394.431 3.065 20 5 GGBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000159022301 1424398791 /nfs/dbraw/zinc/39/87/91/1424398791.db2.gz YXBVECDDZROVHP-AWEZNQCLSA-N 1 2 391.497 3.325 20 5 GGBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000159022301 1424398792 /nfs/dbraw/zinc/39/87/92/1424398792.db2.gz YXBVECDDZROVHP-AWEZNQCLSA-N 1 2 391.497 3.325 20 5 GGBDLO Cc1cc(N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)nc(C(C)C)[nH+]1 ZINC000160111478 1424575753 /nfs/dbraw/zinc/57/57/53/1424575753.db2.gz KCVOPDFSFMHZAB-UHFFFAOYSA-N 1 2 397.479 3.016 20 5 GGBDLO C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000160797733 1424635491 /nfs/dbraw/zinc/63/54/91/1424635491.db2.gz YIZXKKQWXCRRCL-GFCCVEGCSA-N 1 2 384.417 3.233 20 5 GGBDLO CN(CCOCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000161588296 1424718876 /nfs/dbraw/zinc/71/88/76/1424718876.db2.gz OVLBOXFFJGDIIU-UHFFFAOYSA-N 1 2 380.404 3.069 20 5 GGBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000162100597 1424815911 /nfs/dbraw/zinc/81/59/11/1424815911.db2.gz HPHQTEIRSOARPM-GOSISDBHSA-N 1 2 399.447 3.022 20 5 GGBDLO COc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000162100597 1424815914 /nfs/dbraw/zinc/81/59/14/1424815914.db2.gz HPHQTEIRSOARPM-GOSISDBHSA-N 1 2 399.447 3.022 20 5 GGBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000162633350 1424873947 /nfs/dbraw/zinc/87/39/47/1424873947.db2.gz HUALZNFXETYEEG-UHFFFAOYSA-N 1 2 379.457 3.212 20 5 GGBDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162996625 1424920295 /nfs/dbraw/zinc/92/02/95/1424920295.db2.gz WROAHRYGPDZBRZ-UHFFFAOYSA-N 1 2 384.436 3.262 20 5 GGBDLO O=C(Nc1ccccc1O[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000163081758 1424936308 /nfs/dbraw/zinc/93/63/08/1424936308.db2.gz ZTOCAJBCPWKAPA-OAHLLOKOSA-N 1 2 394.387 3.201 20 5 GGBDLO Cc1cn(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000164921925 1425151960 /nfs/dbraw/zinc/15/19/60/1425151960.db2.gz WIWVZLKLZCPKHQ-GOSISDBHSA-N 1 2 393.447 3.354 20 5 GGBDLO Cc1cn(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000164921925 1425151965 /nfs/dbraw/zinc/15/19/65/1425151965.db2.gz WIWVZLKLZCPKHQ-GOSISDBHSA-N 1 2 393.447 3.354 20 5 GGBDLO Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000170975008 1425423226 /nfs/dbraw/zinc/42/32/26/1425423226.db2.gz CVWVWXZGBOCVBL-UHFFFAOYSA-N 1 2 382.424 3.355 20 5 GGBDLO O=C(Nc1cccc(C(F)(F)F)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171034663 1425448651 /nfs/dbraw/zinc/44/86/51/1425448651.db2.gz MURYKKOCHPLGJA-UHFFFAOYSA-N 1 2 377.282 3.447 20 5 GGBDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171103673 1425484303 /nfs/dbraw/zinc/48/43/03/1425484303.db2.gz GHVVAZVMRSYOOF-INIZCTEOSA-N 1 2 376.363 3.269 20 5 GGBDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171103673 1425484312 /nfs/dbraw/zinc/48/43/12/1425484312.db2.gz GHVVAZVMRSYOOF-INIZCTEOSA-N 1 2 376.363 3.269 20 5 GGBDLO COc1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C ZINC000171187611 1425530175 /nfs/dbraw/zinc/53/01/75/1425530175.db2.gz VKESOJPPKYZBHU-UHFFFAOYSA-N 1 2 380.404 3.370 20 5 GGBDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C1 ZINC000171346219 1425628993 /nfs/dbraw/zinc/62/89/93/1425628993.db2.gz LMRGNMUDCCHWLT-UHFFFAOYSA-N 1 2 375.450 3.430 20 5 GGBDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C1 ZINC000171346219 1425628995 /nfs/dbraw/zinc/62/89/95/1425628995.db2.gz LMRGNMUDCCHWLT-UHFFFAOYSA-N 1 2 375.450 3.430 20 5 GGBDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2C1 ZINC000171346391 1425629786 /nfs/dbraw/zinc/62/97/86/1425629786.db2.gz RGIXDSZEYCMBDQ-UHFFFAOYSA-N 1 2 375.450 3.430 20 5 GGBDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2C1 ZINC000171346391 1425629788 /nfs/dbraw/zinc/62/97/88/1425629788.db2.gz RGIXDSZEYCMBDQ-UHFFFAOYSA-N 1 2 375.450 3.430 20 5 GGBDLO O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171469071 1425692199 /nfs/dbraw/zinc/69/21/99/1425692199.db2.gz YFQNKNPTNIPAST-UXHICEINSA-N 1 2 392.415 3.431 20 5 GGBDLO O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171469067 1425692574 /nfs/dbraw/zinc/69/25/74/1425692574.db2.gz YFQNKNPTNIPAST-VQTJNVASSA-N 1 2 392.415 3.431 20 5 GGBDLO O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171469077 1425693179 /nfs/dbraw/zinc/69/31/79/1425693179.db2.gz YFQNKNPTNIPAST-WOJBJXKFSA-N 1 2 392.415 3.431 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000171588950 1425750089 /nfs/dbraw/zinc/75/00/89/1425750089.db2.gz UQZMFXMKBZPEJL-INIZCTEOSA-N 1 2 383.448 3.431 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000171590466 1425750690 /nfs/dbraw/zinc/75/06/90/1425750690.db2.gz PGFMWYSKXMNQSC-INIZCTEOSA-N 1 2 383.448 3.431 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000171829998 1425830881 /nfs/dbraw/zinc/83/08/81/1425830881.db2.gz ZRMDJEBTEJJURH-UHFFFAOYSA-N 1 2 399.447 3.333 20 5 GGBDLO COc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000171923812 1425853776 /nfs/dbraw/zinc/85/37/76/1425853776.db2.gz GAUCWZWLNSIKNW-INIZCTEOSA-N 1 2 389.839 3.494 20 5 GGBDLO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000171923812 1425853779 /nfs/dbraw/zinc/85/37/79/1425853779.db2.gz GAUCWZWLNSIKNW-INIZCTEOSA-N 1 2 389.839 3.494 20 5 GGBDLO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172349587 1426011029 /nfs/dbraw/zinc/01/10/29/1426011029.db2.gz YOSUMVRIPGJCQY-MAUKXSAKSA-N 1 2 386.452 3.352 20 5 GGBDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172349592 1426011410 /nfs/dbraw/zinc/01/14/10/1426011410.db2.gz YOSUMVRIPGJCQY-CRAIPNDOSA-N 1 2 386.452 3.352 20 5 GGBDLO O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccccc1OCCn1cc[nH+]c1 ZINC000172449394 1426045274 /nfs/dbraw/zinc/04/52/74/1426045274.db2.gz LDZVOOLSQHBQEC-UHFFFAOYSA-N 1 2 381.392 3.192 20 5 GGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1C(=O)OC ZINC000172514345 1426067229 /nfs/dbraw/zinc/06/72/29/1426067229.db2.gz XAODPOCWRGAGFM-UHFFFAOYSA-N 1 2 394.387 3.234 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000172631904 1426119774 /nfs/dbraw/zinc/11/97/74/1426119774.db2.gz BDOGYCXVCCPCMN-KRWDZBQOSA-N 1 2 376.416 3.485 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2ccc(Cl)cc21 ZINC000172684669 1426141924 /nfs/dbraw/zinc/14/19/24/1426141924.db2.gz CXORXKKXNYQLDP-UHFFFAOYSA-N 1 2 384.779 3.473 20 5 GGBDLO COc1ccc2c(c1)N(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000172717739 1426157761 /nfs/dbraw/zinc/15/77/61/1426157761.db2.gz PMWFTJNHAGSWGG-ZDUSSCGKSA-N 1 2 394.387 3.217 20 5 GGBDLO O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172747025 1426172188 /nfs/dbraw/zinc/17/21/88/1426172188.db2.gz XNBNOYYVPQOCCQ-LJQANCHMSA-N 1 2 383.473 3.274 20 5 GGBDLO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000173462232 1426635818 /nfs/dbraw/zinc/63/58/18/1426635818.db2.gz QONJMKULPXVKRL-INIZCTEOSA-N 1 2 383.452 3.040 20 5 GGBDLO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000173462232 1426635827 /nfs/dbraw/zinc/63/58/27/1426635827.db2.gz QONJMKULPXVKRL-INIZCTEOSA-N 1 2 383.452 3.040 20 5 GGBDLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464197 1426638692 /nfs/dbraw/zinc/63/86/92/1426638692.db2.gz MOWMTAYJMMIMCK-AWEZNQCLSA-N 1 2 389.843 3.077 20 5 GGBDLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464197 1426638708 /nfs/dbraw/zinc/63/87/08/1426638708.db2.gz MOWMTAYJMMIMCK-AWEZNQCLSA-N 1 2 389.843 3.077 20 5 GGBDLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470414 1426645215 /nfs/dbraw/zinc/64/52/15/1426645215.db2.gz KRKDCDXMOICCIZ-QGZVFWFLSA-N 1 2 384.436 3.278 20 5 GGBDLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470414 1426645226 /nfs/dbraw/zinc/64/52/26/1426645226.db2.gz KRKDCDXMOICCIZ-QGZVFWFLSA-N 1 2 384.436 3.278 20 5 GGBDLO CCOc1ccc(NC(=O)C[NH2+][C@@](C)(CC)c2nccs2)c([N+](=O)[O-])c1 ZINC000173506046 1426674446 /nfs/dbraw/zinc/67/44/46/1426674446.db2.gz YFEIIQGBXYKRAO-KRWDZBQOSA-N 1 2 378.454 3.304 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000173534538 1426710782 /nfs/dbraw/zinc/71/07/82/1426710782.db2.gz JLBPOAKTQGKPJD-MRXNPFEDSA-N 1 2 383.448 3.431 20 5 GGBDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173639693 1426806223 /nfs/dbraw/zinc/80/62/23/1426806223.db2.gz IKMYDMXVCUYXEF-UHFFFAOYSA-N 1 2 392.415 3.464 20 5 GGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000173673797 1426816986 /nfs/dbraw/zinc/81/69/86/1426816986.db2.gz DAIUGCHYXIWCCY-MGPUTAFESA-N 1 2 392.415 3.383 20 5 GGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](c2ccccc2)CO1 ZINC000173673767 1426817026 /nfs/dbraw/zinc/81/70/26/1426817026.db2.gz DAIUGCHYXIWCCY-YWZLYKJASA-N 1 2 392.415 3.383 20 5 GGBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(F)c(F)c1 ZINC000173797996 1426853878 /nfs/dbraw/zinc/85/38/78/1426853878.db2.gz AUTAWTOKGHCXDO-UHFFFAOYSA-N 1 2 391.374 3.355 20 5 GGBDLO COc1ccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000174064504 1426982763 /nfs/dbraw/zinc/98/27/63/1426982763.db2.gz UTIDNISQHROQGQ-UHFFFAOYSA-N 1 2 383.404 3.118 20 5 GGBDLO COc1ccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000174064504 1426982772 /nfs/dbraw/zinc/98/27/72/1426982772.db2.gz UTIDNISQHROQGQ-UHFFFAOYSA-N 1 2 383.404 3.118 20 5 GGBDLO O=C(OC[C@@H]1CCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174383159 1427130786 /nfs/dbraw/zinc/13/07/86/1427130786.db2.gz NNIJOVHYNQEPOX-MRXNPFEDSA-N 1 2 392.415 3.464 20 5 GGBDLO CO[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000174495199 1427181909 /nfs/dbraw/zinc/18/19/09/1427181909.db2.gz UMXOKDZCMSSXIY-SFHVURJKSA-N 1 2 384.367 3.037 20 5 GGBDLO CCc1nsc(N2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n1 ZINC000174512693 1427194740 /nfs/dbraw/zinc/19/47/40/1427194740.db2.gz VLSQGOBLMNAGTC-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO CCc1nsc(N2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n1 ZINC000174512693 1427194744 /nfs/dbraw/zinc/19/47/44/1427194744.db2.gz VLSQGOBLMNAGTC-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1O ZINC000174626761 1427272528 /nfs/dbraw/zinc/27/25/28/1427272528.db2.gz YAPOUYDACHGFPX-LLVKDONJSA-N 1 2 393.827 3.421 20 5 GGBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1O ZINC000174626761 1427272534 /nfs/dbraw/zinc/27/25/34/1427272534.db2.gz YAPOUYDACHGFPX-LLVKDONJSA-N 1 2 393.827 3.421 20 5 GGBDLO CCOc1cc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)ccc1[N+](=O)[O-] ZINC000174914988 1427444141 /nfs/dbraw/zinc/44/41/41/1427444141.db2.gz SWVJSUTVEUTRGI-UHFFFAOYSA-N 1 2 387.484 3.267 20 5 GGBDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2C1 ZINC000174993584 1427485214 /nfs/dbraw/zinc/48/52/14/1427485214.db2.gz FZNNAZBLAVBQHP-UHFFFAOYSA-N 1 2 386.355 3.310 20 5 GGBDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2C1 ZINC000174993584 1427485216 /nfs/dbraw/zinc/48/52/16/1427485216.db2.gz FZNNAZBLAVBQHP-UHFFFAOYSA-N 1 2 386.355 3.310 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000175167063 1427578198 /nfs/dbraw/zinc/57/81/98/1427578198.db2.gz WCXVJQVKRVZFHS-UHFFFAOYSA-N 1 2 376.482 3.158 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000175167063 1427578202 /nfs/dbraw/zinc/57/82/02/1427578202.db2.gz WCXVJQVKRVZFHS-UHFFFAOYSA-N 1 2 376.482 3.158 20 5 GGBDLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000175245947 1427624241 /nfs/dbraw/zinc/62/42/41/1427624241.db2.gz GIDURXYAIYDYSD-HNNXBMFYSA-N 1 2 378.436 3.151 20 5 GGBDLO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000175245947 1427624242 /nfs/dbraw/zinc/62/42/42/1427624242.db2.gz GIDURXYAIYDYSD-HNNXBMFYSA-N 1 2 378.436 3.151 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000175965843 1428002821 /nfs/dbraw/zinc/00/28/21/1428002821.db2.gz WRYSKALZNFEMAQ-UHFFFAOYSA-N 1 2 379.482 3.294 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000175965843 1428002828 /nfs/dbraw/zinc/00/28/28/1428002828.db2.gz WRYSKALZNFEMAQ-UHFFFAOYSA-N 1 2 379.482 3.294 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000176157176 1428125851 /nfs/dbraw/zinc/12/58/51/1428125851.db2.gz VLKRPDWOMBSGEQ-CVEARBPZSA-N 1 2 382.420 3.144 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000176157162 1428126025 /nfs/dbraw/zinc/12/60/25/1428126025.db2.gz VLKRPDWOMBSGEQ-HZPDHXFCSA-N 1 2 382.420 3.144 20 5 GGBDLO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cs2)c1C ZINC000180398155 1429856625 /nfs/dbraw/zinc/85/66/25/1429856625.db2.gz CQKPQAPCTNKVGZ-ZDUSSCGKSA-N 1 2 399.476 3.280 20 5 GGBDLO C[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180453769 1429872967 /nfs/dbraw/zinc/87/29/67/1429872967.db2.gz OLTYCNLUIUHMPZ-NSHDSACASA-N 1 2 392.341 3.440 20 5 GGBDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180453871 1429873041 /nfs/dbraw/zinc/87/30/41/1429873041.db2.gz RACWTQUVKHFEFJ-LLVKDONJSA-N 1 2 390.350 3.023 20 5 GGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180506591 1429885182 /nfs/dbraw/zinc/88/51/82/1429885182.db2.gz ZWCJXFBQXMQOAD-AWEZNQCLSA-N 1 2 377.832 3.364 20 5 GGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180506591 1429885183 /nfs/dbraw/zinc/88/51/83/1429885183.db2.gz ZWCJXFBQXMQOAD-AWEZNQCLSA-N 1 2 377.832 3.364 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000180713424 1429994958 /nfs/dbraw/zinc/99/49/58/1429994958.db2.gz QIBPLQQYKUCJLB-UHFFFAOYSA-N 1 2 375.450 3.428 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000180713424 1429994968 /nfs/dbraw/zinc/99/49/68/1429994968.db2.gz QIBPLQQYKUCJLB-UHFFFAOYSA-N 1 2 375.450 3.428 20 5 GGBDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000181063499 1430194004 /nfs/dbraw/zinc/19/40/04/1430194004.db2.gz DJGBUIMJVZASQT-UHFFFAOYSA-N 1 2 380.404 3.247 20 5 GGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181583787 1430323506 /nfs/dbraw/zinc/32/35/06/1430323506.db2.gz BWZGGBRQUKXBMZ-UHFFFAOYSA-N 1 2 380.351 3.213 20 5 GGBDLO COc1ccc(OCCn2nc(C(F)(F)F)c3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000181721900 1430347487 /nfs/dbraw/zinc/34/74/87/1430347487.db2.gz CTCRKIKKONEPNL-UHFFFAOYSA-N 1 2 382.298 3.446 20 5 GGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000182026980 1430398743 /nfs/dbraw/zinc/39/87/43/1430398743.db2.gz PTQLHPGVIXAKBL-UHFFFAOYSA-N 1 2 393.403 3.074 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000182054976 1430403091 /nfs/dbraw/zinc/40/30/91/1430403091.db2.gz HJWKYHROQWZSLF-PGRDOPGGSA-N 1 2 393.443 3.241 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000182054976 1430403093 /nfs/dbraw/zinc/40/30/93/1430403093.db2.gz HJWKYHROQWZSLF-PGRDOPGGSA-N 1 2 393.443 3.241 20 5 GGBDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000182547088 1430488127 /nfs/dbraw/zinc/48/81/27/1430488127.db2.gz IRUHKXLGVRFKDW-LBPRGKRZSA-N 1 2 381.392 3.454 20 5 GGBDLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183240479 1430657556 /nfs/dbraw/zinc/65/75/56/1430657556.db2.gz OJXVQSFCKXENQA-LBPRGKRZSA-N 1 2 386.358 3.479 20 5 GGBDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000183404129 1430702584 /nfs/dbraw/zinc/70/25/84/1430702584.db2.gz DATCHZZJDZMCPG-UHFFFAOYSA-N 1 2 375.450 3.262 20 5 GGBDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000183404129 1430702586 /nfs/dbraw/zinc/70/25/86/1430702586.db2.gz DATCHZZJDZMCPG-UHFFFAOYSA-N 1 2 375.450 3.262 20 5 GGBDLO Cc1ccc(NC(=O)N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000183615321 1430755058 /nfs/dbraw/zinc/75/50/58/1430755058.db2.gz UAQMHEBXCCHEPM-UHFFFAOYSA-N 1 2 384.436 3.132 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184185789 1430852969 /nfs/dbraw/zinc/85/29/69/1430852969.db2.gz IHHHKFQCQXCPKZ-QGZVFWFLSA-N 1 2 375.425 3.438 20 5 GGBDLO CC(C)COC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccco1 ZINC000184207916 1430856486 /nfs/dbraw/zinc/85/64/86/1430856486.db2.gz VJJXPAHIYGWLHA-QZTJIDSGSA-N 1 2 387.436 3.297 20 5 GGBDLO COc1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c([N+](=O)[O-])cc1F ZINC000184251147 1430862509 /nfs/dbraw/zinc/86/25/09/1430862509.db2.gz KYTLRLVLTLWDMR-UHFFFAOYSA-N 1 2 393.440 3.198 20 5 GGBDLO COc1cc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184301835 1430870795 /nfs/dbraw/zinc/87/07/95/1430870795.db2.gz SQWZAVIKFKLTKJ-KRWDZBQOSA-N 1 2 387.411 3.196 20 5 GGBDLO COc1cc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184301852 1430870842 /nfs/dbraw/zinc/87/08/42/1430870842.db2.gz SQWZAVIKFKLTKJ-QGZVFWFLSA-N 1 2 387.411 3.196 20 5 GGBDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184479561 1430892478 /nfs/dbraw/zinc/89/24/78/1430892478.db2.gz LSECTCICFHVLOE-GFCCVEGCSA-N 1 2 397.522 3.473 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184496955 1430894943 /nfs/dbraw/zinc/89/49/43/1430894943.db2.gz PTDZAQDEQANBBZ-JKSUJKDBSA-N 1 2 391.468 3.284 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184496955 1430894948 /nfs/dbraw/zinc/89/49/48/1430894948.db2.gz PTDZAQDEQANBBZ-JKSUJKDBSA-N 1 2 391.468 3.284 20 5 GGBDLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184718013 1430951553 /nfs/dbraw/zinc/95/15/53/1430951553.db2.gz PGBDYNLUONROSY-UHFFFAOYSA-N 1 2 387.461 3.410 20 5 GGBDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000184720459 1430953380 /nfs/dbraw/zinc/95/33/80/1430953380.db2.gz IYBDVVOAPMYPMV-MNOVXSKESA-N 1 2 378.454 3.300 20 5 GGBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)o1 ZINC000184752606 1430966168 /nfs/dbraw/zinc/96/61/68/1430966168.db2.gz LYCLHZXWYWQVNX-ABAIWWIYSA-N 1 2 381.816 3.454 20 5 GGBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)o1 ZINC000184766623 1430971100 /nfs/dbraw/zinc/97/11/00/1430971100.db2.gz CLIIJPUQLMGHJA-ABAIWWIYSA-N 1 2 381.816 3.454 20 5 GGBDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184780620 1430975417 /nfs/dbraw/zinc/97/54/17/1430975417.db2.gz RBMBALZKSZCSGC-HNNXBMFYSA-N 1 2 381.816 3.319 20 5 GGBDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184780604 1430975729 /nfs/dbraw/zinc/97/57/29/1430975729.db2.gz RBMBALZKSZCSGC-OAHLLOKOSA-N 1 2 381.816 3.319 20 5 GGBDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000184832101 1430995771 /nfs/dbraw/zinc/99/57/71/1430995771.db2.gz QWSNFRWIUXTCAB-BLLLJJGKSA-N 1 2 391.424 3.063 20 5 GGBDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000184832648 1430996766 /nfs/dbraw/zinc/99/67/66/1430996766.db2.gz PLGSFTPJYBDESX-CJNGLKHVSA-N 1 2 375.425 3.363 20 5 GGBDLO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184837681 1430999262 /nfs/dbraw/zinc/99/92/62/1430999262.db2.gz PULNYAOCYZYWDG-QGZVFWFLSA-N 1 2 383.448 3.285 20 5 GGBDLO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184837681 1430999271 /nfs/dbraw/zinc/99/92/71/1430999271.db2.gz PULNYAOCYZYWDG-QGZVFWFLSA-N 1 2 383.448 3.285 20 5 GGBDLO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ncc(-c2ccccc2)o1 ZINC000184859623 1431005254 /nfs/dbraw/zinc/00/52/54/1431005254.db2.gz OVQDZIURFLJUFI-AWEZNQCLSA-N 1 2 392.415 3.490 20 5 GGBDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000184861844 1431006011 /nfs/dbraw/zinc/00/60/11/1431006011.db2.gz OECWIKHRSQQMTK-WBMJQRKESA-N 1 2 391.424 3.063 20 5 GGBDLO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000185276196 1431097995 /nfs/dbraw/zinc/09/79/95/1431097995.db2.gz DJQUHIWRVVDDPS-HIFRSBDPSA-N 1 2 390.440 3.116 20 5 GGBDLO O=C(C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000185314700 1431110592 /nfs/dbraw/zinc/11/05/92/1431110592.db2.gz FFYIVGFQKVKWCP-CQSZACIVSA-N 1 2 387.386 3.252 20 5 GGBDLO O=C(C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000185314700 1431110598 /nfs/dbraw/zinc/11/05/98/1431110598.db2.gz FFYIVGFQKVKWCP-CQSZACIVSA-N 1 2 387.386 3.252 20 5 GGBDLO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000185381714 1431131133 /nfs/dbraw/zinc/13/11/33/1431131133.db2.gz MPSTZVHDAOJZII-AWEZNQCLSA-N 1 2 395.419 3.248 20 5 GGBDLO COc1ccc2c(c1)nc(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)n2C ZINC000185839611 1431247993 /nfs/dbraw/zinc/24/79/93/1431247993.db2.gz LAGRKYGZAVSEGD-UHFFFAOYSA-N 1 2 392.362 3.381 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186716937 1431500374 /nfs/dbraw/zinc/50/03/74/1431500374.db2.gz SPQBPBCFMKCQHH-QVKFZJNVSA-N 1 2 381.432 3.362 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186716937 1431500379 /nfs/dbraw/zinc/50/03/79/1431500379.db2.gz SPQBPBCFMKCQHH-QVKFZJNVSA-N 1 2 381.432 3.362 20 5 GGBDLO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000186869887 1431548063 /nfs/dbraw/zinc/54/80/63/1431548063.db2.gz JWUUBQQZSKJRTG-NVXWUHKLSA-N 1 2 383.448 3.426 20 5 GGBDLO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000186869887 1431548070 /nfs/dbraw/zinc/54/80/70/1431548070.db2.gz JWUUBQQZSKJRTG-NVXWUHKLSA-N 1 2 383.448 3.426 20 5 GGBDLO COc1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc([N+](=O)[O-])c1C ZINC000187882235 1431823761 /nfs/dbraw/zinc/82/37/61/1431823761.db2.gz JXNRRFDRULZJMU-UHFFFAOYSA-N 1 2 399.447 3.305 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189112748 1432046936 /nfs/dbraw/zinc/04/69/36/1432046936.db2.gz OXZKASJHOCAOSH-SJCJKPOMSA-N 1 2 381.860 3.466 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189112767 1432047046 /nfs/dbraw/zinc/04/70/46/1432047046.db2.gz OXZKASJHOCAOSH-PXAZEXFGSA-N 1 2 381.860 3.466 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccn(-c4ccccc4F)n3)C2)nc1 ZINC000189192829 1432060786 /nfs/dbraw/zinc/06/07/86/1432060786.db2.gz BGMOGPMSNQSKFS-CQSZACIVSA-N 1 2 382.399 3.001 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccn(-c4ccccc4F)n3)C2)nc1 ZINC000189192829 1432060790 /nfs/dbraw/zinc/06/07/90/1432060790.db2.gz BGMOGPMSNQSKFS-CQSZACIVSA-N 1 2 382.399 3.001 20 5 GGBDLO COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189477555 1432127407 /nfs/dbraw/zinc/12/74/07/1432127407.db2.gz GQMATNZQFHGLID-GOSISDBHSA-N 1 2 394.431 3.110 20 5 GGBDLO O=C(N[C@H]1CCOc2c(F)cccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189620934 1432180803 /nfs/dbraw/zinc/18/08/03/1432180803.db2.gz LJDIBGAUYNLHST-HNNXBMFYSA-N 1 2 382.351 3.173 20 5 GGBDLO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1C(F)(F)F ZINC000190176684 1432333981 /nfs/dbraw/zinc/33/39/81/1432333981.db2.gz WOXPUWCSJUDTAW-OAHLLOKOSA-N 1 2 385.386 3.394 20 5 GGBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1C(F)(F)F ZINC000190176684 1432333984 /nfs/dbraw/zinc/33/39/84/1432333984.db2.gz WOXPUWCSJUDTAW-OAHLLOKOSA-N 1 2 385.386 3.394 20 5 GGBDLO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C(F)(F)F ZINC000190176662 1432334081 /nfs/dbraw/zinc/33/40/81/1432334081.db2.gz WOXPUWCSJUDTAW-HNNXBMFYSA-N 1 2 385.386 3.394 20 5 GGBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C(F)(F)F ZINC000190176662 1432334085 /nfs/dbraw/zinc/33/40/85/1432334085.db2.gz WOXPUWCSJUDTAW-HNNXBMFYSA-N 1 2 385.386 3.394 20 5 GGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000191391909 1432649537 /nfs/dbraw/zinc/64/95/37/1432649537.db2.gz PXROAQCCWGUMKL-UHFFFAOYSA-N 1 2 398.463 3.366 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000192257223 1432823383 /nfs/dbraw/zinc/82/33/83/1432823383.db2.gz OTSFKFYKTWHTPF-UHFFFAOYSA-N 1 2 396.451 3.092 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192299832 1432828968 /nfs/dbraw/zinc/82/89/68/1432828968.db2.gz NPNQIQJTJRFLAE-CQSZACIVSA-N 1 2 378.375 3.277 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192299832 1432828969 /nfs/dbraw/zinc/82/89/69/1432828969.db2.gz NPNQIQJTJRFLAE-CQSZACIVSA-N 1 2 378.375 3.277 20 5 GGBDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000192724566 1432880143 /nfs/dbraw/zinc/88/01/43/1432880143.db2.gz ZHVOBQBJEMOJTC-UHFFFAOYSA-N 1 2 399.447 3.049 20 5 GGBDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000192724566 1432880147 /nfs/dbraw/zinc/88/01/47/1432880147.db2.gz ZHVOBQBJEMOJTC-UHFFFAOYSA-N 1 2 399.447 3.049 20 5 GGBDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192988968 1432918182 /nfs/dbraw/zinc/91/81/82/1432918182.db2.gz CDXAOEXFMXGBRW-ZWKOTPCHSA-N 1 2 396.491 3.291 20 5 GGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193129048 1432940932 /nfs/dbraw/zinc/94/09/32/1432940932.db2.gz YKQQLUHMANZTPD-UHFFFAOYSA-N 1 2 383.452 3.322 20 5 GGBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)COCc1ccccc1 ZINC000193711311 1433044922 /nfs/dbraw/zinc/04/49/22/1433044922.db2.gz CMHHOUABGROQSH-MRXNPFEDSA-N 1 2 394.431 3.363 20 5 GGBDLO COc1cccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194056612 1433109315 /nfs/dbraw/zinc/10/93/15/1433109315.db2.gz CCPVJPIHIGJORV-GJZGRUSLSA-N 1 2 399.447 3.465 20 5 GGBDLO CCCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000194125864 1433122124 /nfs/dbraw/zinc/12/21/24/1433122124.db2.gz OEOKSRNDPSGEFT-FQEVSTJZSA-N 1 2 383.448 3.239 20 5 GGBDLO CCCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000194125864 1433122126 /nfs/dbraw/zinc/12/21/26/1433122126.db2.gz OEOKSRNDPSGEFT-FQEVSTJZSA-N 1 2 383.448 3.239 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000194338048 1433163879 /nfs/dbraw/zinc/16/38/79/1433163879.db2.gz FURFUYKHXDFDHD-OAHLLOKOSA-N 1 2 393.484 3.458 20 5 GGBDLO C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000194437064 1433177823 /nfs/dbraw/zinc/17/78/23/1433177823.db2.gz QZIUPOAMYCENCS-OAHLLOKOSA-N 1 2 379.420 3.400 20 5 GGBDLO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000194679205 1433214722 /nfs/dbraw/zinc/21/47/22/1433214722.db2.gz AFUXEWMABAUUTE-MRXNPFEDSA-N 1 2 394.431 3.436 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000195321551 1433318963 /nfs/dbraw/zinc/31/89/63/1433318963.db2.gz GYCADEVOSDXSRP-CQSZACIVSA-N 1 2 391.468 3.354 20 5 GGBDLO CCc1[nH]nc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1[N+](=O)[O-] ZINC000195428463 1433328670 /nfs/dbraw/zinc/32/86/70/1433328670.db2.gz QKWMDPKCSGGQAM-UHFFFAOYSA-N 1 2 380.408 3.332 20 5 GGBDLO O=C(O[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000245518320 1433480449 /nfs/dbraw/zinc/48/04/49/1433480449.db2.gz AOFZMTRBIOHMMH-BMGDILEWSA-N 1 2 383.404 3.285 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000245691443 1433500586 /nfs/dbraw/zinc/50/05/86/1433500586.db2.gz AISIYPLYKHZAFH-MSOLQXFVSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000245691443 1433500590 /nfs/dbraw/zinc/50/05/90/1433500590.db2.gz AISIYPLYKHZAFH-MSOLQXFVSA-N 1 2 389.839 3.050 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000245775159 1433515591 /nfs/dbraw/zinc/51/55/91/1433515591.db2.gz TVSZSDTUIDOBQP-UKRRQHHQSA-N 1 2 398.467 3.105 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000245775159 1433515592 /nfs/dbraw/zinc/51/55/92/1433515592.db2.gz TVSZSDTUIDOBQP-UKRRQHHQSA-N 1 2 398.467 3.105 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000245798644 1433519441 /nfs/dbraw/zinc/51/94/41/1433519441.db2.gz YSAPVCPHFBNLFL-CJNGLKHVSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000245798644 1433519450 /nfs/dbraw/zinc/51/94/50/1433519450.db2.gz YSAPVCPHFBNLFL-CJNGLKHVSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000245919146 1433542177 /nfs/dbraw/zinc/54/21/77/1433542177.db2.gz NOAVWBDTKTYEIE-MSOLQXFVSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000245919146 1433542183 /nfs/dbraw/zinc/54/21/83/1433542183.db2.gz NOAVWBDTKTYEIE-MSOLQXFVSA-N 1 2 389.839 3.050 20 5 GGBDLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246203240 1433581703 /nfs/dbraw/zinc/58/17/03/1433581703.db2.gz WGQSAAFUTKQZFW-NWDGAFQWSA-N 1 2 386.437 3.349 20 5 GGBDLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246203240 1433581707 /nfs/dbraw/zinc/58/17/07/1433581707.db2.gz WGQSAAFUTKQZFW-NWDGAFQWSA-N 1 2 386.437 3.349 20 5 GGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CCCO[C@H](C)C1 ZINC000246894175 1433683990 /nfs/dbraw/zinc/68/39/90/1433683990.db2.gz FJAKYAUYROHOIG-CHWSQXEVSA-N 1 2 390.465 3.156 20 5 GGBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CCCO[C@H](C)C1 ZINC000246894175 1433683993 /nfs/dbraw/zinc/68/39/93/1433683993.db2.gz FJAKYAUYROHOIG-CHWSQXEVSA-N 1 2 390.465 3.156 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246906647 1433685459 /nfs/dbraw/zinc/68/54/59/1433685459.db2.gz MMEGAZBZZHHZMX-FHSNZYRGSA-N 1 2 381.860 3.202 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246906647 1433685463 /nfs/dbraw/zinc/68/54/63/1433685463.db2.gz MMEGAZBZZHHZMX-FHSNZYRGSA-N 1 2 381.860 3.202 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000246906717 1433685610 /nfs/dbraw/zinc/68/56/10/1433685610.db2.gz MMEGAZBZZHHZMX-VFVRVIDISA-N 1 2 381.860 3.202 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000246906717 1433685613 /nfs/dbraw/zinc/68/56/13/1433685613.db2.gz MMEGAZBZZHHZMX-VFVRVIDISA-N 1 2 381.860 3.202 20 5 GGBDLO CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000247206161 1433691138 /nfs/dbraw/zinc/69/11/38/1433691138.db2.gz XPDIPQCGWQKFDT-IUODEOHRSA-N 1 2 390.465 3.156 20 5 GGBDLO CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000247206161 1433691140 /nfs/dbraw/zinc/69/11/40/1433691140.db2.gz XPDIPQCGWQKFDT-IUODEOHRSA-N 1 2 390.465 3.156 20 5 GGBDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1c1ccccc1 ZINC000247391359 1433716276 /nfs/dbraw/zinc/71/62/76/1433716276.db2.gz GSGUSBJMLBYIKQ-IBZMOEQTSA-N 1 2 394.431 3.012 20 5 GGBDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1c1ccccc1 ZINC000247391359 1433716281 /nfs/dbraw/zinc/71/62/81/1433716281.db2.gz GSGUSBJMLBYIKQ-IBZMOEQTSA-N 1 2 394.431 3.012 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000248447701 1433803396 /nfs/dbraw/zinc/80/33/96/1433803396.db2.gz HJWKYHROQWZSLF-XMSQKQJNSA-N 1 2 393.443 3.241 20 5 GGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000248447701 1433803399 /nfs/dbraw/zinc/80/33/99/1433803399.db2.gz HJWKYHROQWZSLF-XMSQKQJNSA-N 1 2 393.443 3.241 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000248629052 1433812423 /nfs/dbraw/zinc/81/24/23/1433812423.db2.gz PTDZAQDEQANBBZ-HOTGVXAUSA-N 1 2 391.468 3.284 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000248629052 1433812424 /nfs/dbraw/zinc/81/24/24/1433812424.db2.gz PTDZAQDEQANBBZ-HOTGVXAUSA-N 1 2 391.468 3.284 20 5 GGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000248637360 1433812977 /nfs/dbraw/zinc/81/29/77/1433812977.db2.gz WHYVJZLLIDMCLK-ROUUACIJSA-N 1 2 385.420 3.277 20 5 GGBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000248637360 1433812978 /nfs/dbraw/zinc/81/29/78/1433812978.db2.gz WHYVJZLLIDMCLK-ROUUACIJSA-N 1 2 385.420 3.277 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000248683401 1433815189 /nfs/dbraw/zinc/81/51/89/1433815189.db2.gz GJGPSGYFGLSNKT-SZNDQCEHSA-N 1 2 397.431 3.062 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000248683401 1433815191 /nfs/dbraw/zinc/81/51/91/1433815191.db2.gz GJGPSGYFGLSNKT-SZNDQCEHSA-N 1 2 397.431 3.062 20 5 GGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000248903405 1433828595 /nfs/dbraw/zinc/82/85/95/1433828595.db2.gz NYHATMAHQRFMKY-MLGOLLRUSA-N 1 2 375.450 3.349 20 5 GGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000248903405 1433828596 /nfs/dbraw/zinc/82/85/96/1433828596.db2.gz NYHATMAHQRFMKY-MLGOLLRUSA-N 1 2 375.450 3.349 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000252736375 1433864792 /nfs/dbraw/zinc/86/47/92/1433864792.db2.gz UPQXSZSXKCOZSH-MOPGFXCFSA-N 1 2 375.856 3.410 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@@H](NCc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000252736375 1433864793 /nfs/dbraw/zinc/86/47/93/1433864793.db2.gz UPQXSZSXKCOZSH-MOPGFXCFSA-N 1 2 375.856 3.410 20 5 GGBDLO CCOC(=O)c1ccnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000255545364 1433884786 /nfs/dbraw/zinc/88/47/86/1433884786.db2.gz STEIUKOIBMOGSA-TWGQIWQCSA-N 1 2 396.447 3.002 20 5 GGBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263491765 1434009122 /nfs/dbraw/zinc/00/91/22/1434009122.db2.gz ISJZHTKUZRHOOV-UHFFFAOYSA-N 1 2 387.436 3.226 20 5 GGBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263491765 1434009125 /nfs/dbraw/zinc/00/91/25/1434009125.db2.gz ISJZHTKUZRHOOV-UHFFFAOYSA-N 1 2 387.436 3.226 20 5 GGBDLO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000263512811 1434010299 /nfs/dbraw/zinc/01/02/99/1434010299.db2.gz NYLPTVYOJYGXBE-UHFFFAOYSA-N 1 2 399.447 3.272 20 5 GGBDLO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000263512811 1434010303 /nfs/dbraw/zinc/01/03/03/1434010303.db2.gz NYLPTVYOJYGXBE-UHFFFAOYSA-N 1 2 399.447 3.272 20 5 GGBDLO C[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000263528486 1434011740 /nfs/dbraw/zinc/01/17/40/1434011740.db2.gz VHALOKRDELJFCY-UHFFFAOYSA-N 1 2 389.477 3.304 20 5 GGBDLO C[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000263528486 1434011743 /nfs/dbraw/zinc/01/17/43/1434011743.db2.gz VHALOKRDELJFCY-UHFFFAOYSA-N 1 2 389.477 3.304 20 5 GGBDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000263900790 1434047178 /nfs/dbraw/zinc/04/71/78/1434047178.db2.gz ZRAHAVFVNKZWPO-UHFFFAOYSA-N 1 2 378.425 3.015 20 5 GGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263963759 1434054618 /nfs/dbraw/zinc/05/46/18/1434054618.db2.gz ZTAVDQKBQFLXQO-INIZCTEOSA-N 1 2 386.455 3.284 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](c4nccs4)C3)o2)c1 ZINC000264167925 1434077923 /nfs/dbraw/zinc/07/79/23/1434077923.db2.gz HKMOVVFWMHPUJR-MRXNPFEDSA-N 1 2 386.433 3.322 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](c4nccs4)C3)o2)c1 ZINC000264167925 1434077926 /nfs/dbraw/zinc/07/79/26/1434077926.db2.gz HKMOVVFWMHPUJR-MRXNPFEDSA-N 1 2 386.433 3.322 20 5 GGBDLO COc1cc(C[NH2+][C@@H](C)c2nncn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000264229780 1434084698 /nfs/dbraw/zinc/08/46/98/1434084698.db2.gz ABSNAFVPXGPNFW-AWEZNQCLSA-N 1 2 397.435 3.162 20 5 GGBDLO C[C@H](c1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264270576 1434090488 /nfs/dbraw/zinc/09/04/88/1434090488.db2.gz RPZZOGCABTUZHI-MRXNPFEDSA-N 1 2 399.447 3.396 20 5 GGBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000264441789 1434113148 /nfs/dbraw/zinc/11/31/48/1434113148.db2.gz QZDQAKKQJMPQSU-SNVBAGLBSA-N 1 2 392.437 3.028 20 5 GGBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000264441789 1434113153 /nfs/dbraw/zinc/11/31/53/1434113153.db2.gz QZDQAKKQJMPQSU-SNVBAGLBSA-N 1 2 392.437 3.028 20 5 GGBDLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000265244651 1434206569 /nfs/dbraw/zinc/20/65/69/1434206569.db2.gz WXHMAHZQSZZYFR-HZPDHXFCSA-N 1 2 383.452 3.139 20 5 GGBDLO CC[NH+](CC)Cc1nc(C2(NCc3csc([N+](=O)[O-])c3)CCCC2)no1 ZINC000266125813 1434305459 /nfs/dbraw/zinc/30/54/59/1434305459.db2.gz QDAUANJDOGRIIK-UHFFFAOYSA-N 1 2 379.486 3.440 20 5 GGBDLO COC1CC[NH+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000267396555 1434428971 /nfs/dbraw/zinc/42/89/71/1434428971.db2.gz FCODLLFIOIWVES-LBPRGKRZSA-N 1 2 390.465 3.156 20 5 GGBDLO Cn1cc([C@@H]2C[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000267626922 1434451023 /nfs/dbraw/zinc/45/10/23/1434451023.db2.gz RRVCLXJZDXTJHT-FQEVSTJZSA-N 1 2 375.428 3.253 20 5 GGBDLO Cn1cc([C@@H]2C[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000267626922 1434451025 /nfs/dbraw/zinc/45/10/25/1434451025.db2.gz RRVCLXJZDXTJHT-FQEVSTJZSA-N 1 2 375.428 3.253 20 5 GGBDLO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000268389658 1434518161 /nfs/dbraw/zinc/51/81/61/1434518161.db2.gz YULAEEXWXDGORL-MLGOLLRUSA-N 1 2 377.832 3.237 20 5 GGBDLO C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000268389656 1434518210 /nfs/dbraw/zinc/51/82/10/1434518210.db2.gz YULAEEXWXDGORL-LRDDRELGSA-N 1 2 377.832 3.237 20 5 GGBDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423899 1434521631 /nfs/dbraw/zinc/52/16/31/1434521631.db2.gz DISAKOLABMXONB-FZMZJTMJSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423899 1434521632 /nfs/dbraw/zinc/52/16/32/1434521632.db2.gz DISAKOLABMXONB-FZMZJTMJSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423899 1434521633 /nfs/dbraw/zinc/52/16/33/1434521633.db2.gz DISAKOLABMXONB-FZMZJTMJSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423899 1434521635 /nfs/dbraw/zinc/52/16/35/1434521635.db2.gz DISAKOLABMXONB-FZMZJTMJSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423899 1434521637 /nfs/dbraw/zinc/52/16/37/1434521637.db2.gz DISAKOLABMXONB-FZMZJTMJSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423899 1434521639 /nfs/dbraw/zinc/52/16/39/1434521639.db2.gz DISAKOLABMXONB-FZMZJTMJSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423903 1434521694 /nfs/dbraw/zinc/52/16/94/1434521694.db2.gz DISAKOLABMXONB-SMDDNHRTSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268423903 1434521696 /nfs/dbraw/zinc/52/16/96/1434521696.db2.gz DISAKOLABMXONB-SMDDNHRTSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423903 1434521697 /nfs/dbraw/zinc/52/16/97/1434521697.db2.gz DISAKOLABMXONB-SMDDNHRTSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268423903 1434521700 /nfs/dbraw/zinc/52/17/00/1434521700.db2.gz DISAKOLABMXONB-SMDDNHRTSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423903 1434521703 /nfs/dbraw/zinc/52/17/03/1434521703.db2.gz DISAKOLABMXONB-SMDDNHRTSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268423903 1434521706 /nfs/dbraw/zinc/52/17/06/1434521706.db2.gz DISAKOLABMXONB-SMDDNHRTSA-N 1 2 383.412 3.012 20 5 GGBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270522715 1434740917 /nfs/dbraw/zinc/74/09/17/1434740917.db2.gz UCYKEQVAQSEOEM-UHFFFAOYSA-N 1 2 392.419 3.044 20 5 GGBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272568310 1434908725 /nfs/dbraw/zinc/90/87/25/1434908725.db2.gz CSZOALSLMJMFGE-KRWDZBQOSA-N 1 2 384.367 3.357 20 5 GGBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272568310 1434908726 /nfs/dbraw/zinc/90/87/26/1434908726.db2.gz CSZOALSLMJMFGE-KRWDZBQOSA-N 1 2 384.367 3.357 20 5 GGBDLO COc1ccc(COCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272580505 1434910214 /nfs/dbraw/zinc/91/02/14/1434910214.db2.gz XXYRAGXDOIQQOH-HXUWFJFHSA-N 1 2 396.447 3.233 20 5 GGBDLO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000272586756 1434911334 /nfs/dbraw/zinc/91/13/34/1434911334.db2.gz ZEYHNLFJAGEZNN-OXQOHEQNSA-N 1 2 394.431 3.020 20 5 GGBDLO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000272586758 1434911400 /nfs/dbraw/zinc/91/14/00/1434911400.db2.gz ZEYHNLFJAGEZNN-UZLBHIALSA-N 1 2 394.431 3.020 20 5 GGBDLO COc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000272637273 1434918229 /nfs/dbraw/zinc/91/82/29/1434918229.db2.gz LFJPBBAAGNWFAL-GOSISDBHSA-N 1 2 396.403 3.227 20 5 GGBDLO COc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000272637273 1434918232 /nfs/dbraw/zinc/91/82/32/1434918232.db2.gz LFJPBBAAGNWFAL-GOSISDBHSA-N 1 2 396.403 3.227 20 5 GGBDLO CC(C)c1[nH]nc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1[N+](=O)[O-] ZINC000272681263 1434922231 /nfs/dbraw/zinc/92/22/31/1434922231.db2.gz RZGWFAQPLDBXCR-CQSZACIVSA-N 1 2 398.423 3.065 20 5 GGBDLO CC(C)c1[nH]nc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1[N+](=O)[O-] ZINC000272681263 1434922234 /nfs/dbraw/zinc/92/22/34/1434922234.db2.gz RZGWFAQPLDBXCR-CQSZACIVSA-N 1 2 398.423 3.065 20 5 GGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)C1 ZINC000272717047 1434925627 /nfs/dbraw/zinc/92/56/27/1434925627.db2.gz YVMJNMALLRTPHW-QGZVFWFLSA-N 1 2 387.440 3.027 20 5 GGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)C1 ZINC000272717047 1434925628 /nfs/dbraw/zinc/92/56/28/1434925628.db2.gz YVMJNMALLRTPHW-QGZVFWFLSA-N 1 2 387.440 3.027 20 5 GGBDLO Cc1nc(C2([NH2+]CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CCCCC2)no1 ZINC000273182758 1434970037 /nfs/dbraw/zinc/97/00/37/1434970037.db2.gz JUTAMCHUVMSADP-UHFFFAOYSA-N 1 2 391.403 3.203 20 5 GGBDLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000273820638 1435018041 /nfs/dbraw/zinc/01/80/41/1435018041.db2.gz CNTBAAXZYNAONF-UHFFFAOYSA-N 1 2 386.427 3.323 20 5 GGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Oc4cncc(Cl)n4)CC3)nc2c1 ZINC000275052888 1435112932 /nfs/dbraw/zinc/11/29/32/1435112932.db2.gz LYXIUDXKTINFSO-UHFFFAOYSA-N 1 2 389.799 3.223 20 5 GGBDLO CCOc1cc(C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000276894187 1435240864 /nfs/dbraw/zinc/24/08/64/1435240864.db2.gz KRBMSPPFJDVZHY-SFHVURJKSA-N 1 2 377.828 3.137 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000277643738 1435318453 /nfs/dbraw/zinc/31/84/53/1435318453.db2.gz TXKHUXUATHKANG-UHFFFAOYSA-N 1 2 378.860 3.488 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(Oc4ncccc4F)CC3)n2)c1 ZINC000278063166 1435355418 /nfs/dbraw/zinc/35/54/18/1435355418.db2.gz FNTRUNPNDBUCQL-UHFFFAOYSA-N 1 2 399.382 3.222 20 5 GGBDLO CSc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278188091 1435367809 /nfs/dbraw/zinc/36/78/09/1435367809.db2.gz VRIYPHBJHUGJLI-TZMCWYRMSA-N 1 2 376.438 3.293 20 5 GGBDLO CSc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278188091 1435367812 /nfs/dbraw/zinc/36/78/12/1435367812.db2.gz VRIYPHBJHUGJLI-TZMCWYRMSA-N 1 2 376.438 3.293 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c2c(c1)COCO2 ZINC000278957782 1435445426 /nfs/dbraw/zinc/44/54/26/1435445426.db2.gz ZQTFMFSJCGLFOP-MRXNPFEDSA-N 1 2 389.383 3.039 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c2c(c1)COCO2 ZINC000278957782 1435445430 /nfs/dbraw/zinc/44/54/30/1435445430.db2.gz ZQTFMFSJCGLFOP-MRXNPFEDSA-N 1 2 389.383 3.039 20 5 GGBDLO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279350366 1435489936 /nfs/dbraw/zinc/48/99/36/1435489936.db2.gz BVMSAVJLTQKTSH-UHFFFAOYSA-N 1 2 390.390 3.426 20 5 GGBDLO CCn1nccc1C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000279623586 1435520356 /nfs/dbraw/zinc/52/03/56/1435520356.db2.gz XNDPLPQQMHQNGL-UHFFFAOYSA-N 1 2 394.435 3.017 20 5 GGBDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])sc1C ZINC000280422549 1435658281 /nfs/dbraw/zinc/65/82/81/1435658281.db2.gz LZRUATUCJXYYHG-CQSZACIVSA-N 1 2 391.449 3.362 20 5 GGBDLO COC(=O)c1nc([C@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])sc1C ZINC000280422549 1435658282 /nfs/dbraw/zinc/65/82/82/1435658282.db2.gz LZRUATUCJXYYHG-CQSZACIVSA-N 1 2 391.449 3.362 20 5 GGBDLO C[C@@H](C(=O)OC(C)(C)C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000280447393 1435662623 /nfs/dbraw/zinc/66/26/23/1435662623.db2.gz DBTDNJPSKNGMOK-LLVKDONJSA-N 1 2 385.380 3.276 20 5 GGBDLO Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280729812 1435710593 /nfs/dbraw/zinc/71/05/93/1435710593.db2.gz GQPKAWQZKDXKTP-ACJLOTCBSA-N 1 2 380.441 3.306 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280820703 1435726075 /nfs/dbraw/zinc/72/60/75/1435726075.db2.gz NGPYSRIVXBRJLS-AUUYWEPGSA-N 1 2 392.477 3.176 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@]3(CO)CCOc4ccccc43)cs2)c1 ZINC000282527153 1435850223 /nfs/dbraw/zinc/85/02/23/1435850223.db2.gz YRDMQNIXJWTFCM-HXUWFJFHSA-N 1 2 397.456 3.478 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000282903699 1435865407 /nfs/dbraw/zinc/86/54/07/1435865407.db2.gz UOFRAMZSGCGNNM-UHFFFAOYSA-N 1 2 385.420 3.078 20 5 GGBDLO Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000283017806 1435870547 /nfs/dbraw/zinc/87/05/47/1435870547.db2.gz LXZWUGFGJJWLAM-VQTJNVASSA-N 1 2 380.448 3.358 20 5 GGBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000283597761 1435897208 /nfs/dbraw/zinc/89/72/08/1435897208.db2.gz XZBIBHKVVPPGOE-UHFFFAOYSA-N 1 2 379.417 3.011 20 5 GGBDLO O=[N+]([O-])c1cccnc1Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000283628573 1435898518 /nfs/dbraw/zinc/89/85/18/1435898518.db2.gz VQEJKRGRVVPIDO-UHFFFAOYSA-N 1 2 382.449 3.318 20 5 GGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000283778974 1435922436 /nfs/dbraw/zinc/92/24/36/1435922436.db2.gz QWUSNOIZUVHMLM-SJORKVTESA-N 1 2 382.420 3.015 20 5 GGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000283778974 1435922455 /nfs/dbraw/zinc/92/24/55/1435922455.db2.gz QWUSNOIZUVHMLM-SJORKVTESA-N 1 2 382.420 3.015 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(CCOCC2)CC1 ZINC000283983235 1435967207 /nfs/dbraw/zinc/96/72/07/1435967207.db2.gz CWDHRVNXEQCUSG-CYBMUJFWSA-N 1 2 381.860 3.468 20 5 GGBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001164919025 721817348 /nfs/dbraw/zinc/81/73/48/721817348.db2.gz YTOIXPXARMDDCX-UHFFFAOYSA-N 1 2 392.463 3.089 20 5 GGBDLO CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246565 209120380 /nfs/dbraw/zinc/12/03/80/209120380.db2.gz FGONDUBKWSISFE-LBPRGKRZSA-N 1 2 393.472 3.362 20 5 GGBDLO CCc1cc(N2CCN(c3cccc[nH+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053548808 209110764 /nfs/dbraw/zinc/11/07/64/209110764.db2.gz DULMERQPOQNANW-UHFFFAOYSA-N 1 2 390.447 3.336 20 5 GGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cn2ccccc2[nH+]1 ZINC000024494585 207291655 /nfs/dbraw/zinc/29/16/55/207291655.db2.gz PFBNJQQSDKYYCT-UHFFFAOYSA-N 1 2 382.423 3.119 20 5 GGBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032197204 207394448 /nfs/dbraw/zinc/39/44/48/207394448.db2.gz GWBZAPLSDGAXRP-UHFFFAOYSA-N 1 2 399.838 3.083 20 5 GGBDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000095452660 208183762 /nfs/dbraw/zinc/18/37/62/208183762.db2.gz GZEZZEJSZZXSON-BEFAXECRSA-N 1 2 397.431 3.355 20 5 GGBDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000095452660 208183768 /nfs/dbraw/zinc/18/37/68/208183768.db2.gz GZEZZEJSZZXSON-BEFAXECRSA-N 1 2 397.431 3.355 20 5 GGBDLO Cc1csc2nc(C[N@@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)cc(=O)n12 ZINC000011012311 564262023 /nfs/dbraw/zinc/26/20/23/564262023.db2.gz IIRCNYXJTDBHEQ-UHFFFAOYSA-N 1 2 378.841 3.258 20 5 GGBDLO Cc1csc2nc(C[N@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)cc(=O)n12 ZINC000011012311 564262028 /nfs/dbraw/zinc/26/20/28/564262028.db2.gz IIRCNYXJTDBHEQ-UHFFFAOYSA-N 1 2 378.841 3.258 20 5 GGBDLO CCc1nsc(N2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000119262047 564262800 /nfs/dbraw/zinc/26/28/00/564262800.db2.gz ZFGWQMUWIDERGY-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO CCc1nsc(N2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000119262047 564262802 /nfs/dbraw/zinc/26/28/02/564262802.db2.gz ZFGWQMUWIDERGY-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022662459 564319566 /nfs/dbraw/zinc/31/95/66/564319566.db2.gz DTXIZGOLTGARJN-UHFFFAOYSA-N 1 2 377.491 3.093 20 5 GGBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120745787 564334915 /nfs/dbraw/zinc/33/49/15/564334915.db2.gz AZMNVUSETOLQOI-CYBMUJFWSA-N 1 2 392.209 3.046 20 5 GGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120825808 564338794 /nfs/dbraw/zinc/33/87/94/564338794.db2.gz ZPPFBDMYWBJFSQ-UHFFFAOYSA-N 1 2 379.214 3.031 20 5 GGBDLO C[N@H+](Cc1ccccc1Br)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027348312 564353549 /nfs/dbraw/zinc/35/35/49/564353549.db2.gz QLSGIALQKICYNW-UHFFFAOYSA-N 1 2 378.226 3.088 20 5 GGBDLO C[N@@H+](Cc1ccccc1Br)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027348312 564353551 /nfs/dbraw/zinc/35/35/51/564353551.db2.gz QLSGIALQKICYNW-UHFFFAOYSA-N 1 2 378.226 3.088 20 5 GGBDLO C[N@H+](Cc1ccc(Br)o1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000030214110 564377180 /nfs/dbraw/zinc/37/71/80/564377180.db2.gz UNJBBOTVKRUYBX-UHFFFAOYSA-N 1 2 383.198 3.449 20 5 GGBDLO C[N@@H+](Cc1ccc(Br)o1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000030214110 564377183 /nfs/dbraw/zinc/37/71/83/564377183.db2.gz UNJBBOTVKRUYBX-UHFFFAOYSA-N 1 2 383.198 3.449 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000030213658 564377248 /nfs/dbraw/zinc/37/72/48/564377248.db2.gz GVLAGNOVTPEVIR-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000030213658 564377250 /nfs/dbraw/zinc/37/72/50/564377250.db2.gz GVLAGNOVTPEVIR-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000030213679 564377260 /nfs/dbraw/zinc/37/72/60/564377260.db2.gz VRWZNDLBEDIVSK-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000030213679 564377263 /nfs/dbraw/zinc/37/72/63/564377263.db2.gz VRWZNDLBEDIVSK-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Br)o1 ZINC000030214750 564378278 /nfs/dbraw/zinc/37/82/78/564378278.db2.gz UYMBYOIGOBAJOF-SNVBAGLBSA-N 1 2 382.214 3.409 20 5 GGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214750 564378280 /nfs/dbraw/zinc/37/82/80/564378280.db2.gz UYMBYOIGOBAJOF-SNVBAGLBSA-N 1 2 382.214 3.409 20 5 GGBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3Br)[nH+]c12 ZINC000121748761 564384335 /nfs/dbraw/zinc/38/43/35/564384335.db2.gz ADEORTSNWZNIKR-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cccc([N+](=O)[O-])c1 ZINC000031204201 564387421 /nfs/dbraw/zinc/38/74/21/564387421.db2.gz FFWOBVXGIJLEGQ-UHFFFAOYSA-N 1 2 378.226 3.428 20 5 GGBDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cccc([N+](=O)[O-])c1 ZINC000031204201 564387424 /nfs/dbraw/zinc/38/74/24/564387424.db2.gz FFWOBVXGIJLEGQ-UHFFFAOYSA-N 1 2 378.226 3.428 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000124121990 564472230 /nfs/dbraw/zinc/47/22/30/564472230.db2.gz MFDUOUMPNSVPGA-ABAIWWIYSA-N 1 2 393.241 3.277 20 5 GGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000124575836 564487029 /nfs/dbraw/zinc/48/70/29/564487029.db2.gz GADRZCMDACGGEV-LBPRGKRZSA-N 1 2 384.845 3.196 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000126574046 564554270 /nfs/dbraw/zinc/55/42/70/564554270.db2.gz YHUVTIFSJUHQOY-UHFFFAOYSA-N 1 2 378.797 3.235 20 5 GGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000053267577 564583919 /nfs/dbraw/zinc/58/39/19/564583919.db2.gz FDEVQXOXUWDODM-UHFFFAOYSA-N 1 2 377.491 3.166 20 5 GGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000053267577 564583921 /nfs/dbraw/zinc/58/39/21/564583921.db2.gz FDEVQXOXUWDODM-UHFFFAOYSA-N 1 2 377.491 3.166 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)cn1 ZINC000054174692 564600351 /nfs/dbraw/zinc/60/03/51/564600351.db2.gz XNBSBSJSHYEJAR-UHFFFAOYSA-N 1 2 395.232 3.214 20 5 GGBDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000066562947 564769049 /nfs/dbraw/zinc/76/90/49/564769049.db2.gz XTBRARRPCHHKQI-UHFFFAOYSA-N 1 2 399.270 3.193 20 5 GGBDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000066562947 564769053 /nfs/dbraw/zinc/76/90/53/564769053.db2.gz XTBRARRPCHHKQI-UHFFFAOYSA-N 1 2 399.270 3.193 20 5 GGBDLO C[N@H+](Cc1ccc(Br)o1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377002 564790537 /nfs/dbraw/zinc/79/05/37/564790537.db2.gz FSSSNDBJLWKANS-AWEZNQCLSA-N 1 2 394.225 3.188 20 5 GGBDLO C[N@@H+](Cc1ccc(Br)o1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377002 564790540 /nfs/dbraw/zinc/79/05/40/564790540.db2.gz FSSSNDBJLWKANS-AWEZNQCLSA-N 1 2 394.225 3.188 20 5 GGBDLO Cc1c(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000068451597 564818637 /nfs/dbraw/zinc/81/86/37/564818637.db2.gz UWNLTTGEDHNREX-UHFFFAOYSA-N 1 2 393.241 3.131 20 5 GGBDLO Cc1c(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000068451597 564818641 /nfs/dbraw/zinc/81/86/41/564818641.db2.gz UWNLTTGEDHNREX-UHFFFAOYSA-N 1 2 393.241 3.131 20 5 GGBDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000091704205 564871602 /nfs/dbraw/zinc/87/16/02/564871602.db2.gz ZRHDGIFVYCEJCU-NSHDSACASA-N 1 2 393.241 3.384 20 5 GGBDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000091704205 564871606 /nfs/dbraw/zinc/87/16/06/564871606.db2.gz ZRHDGIFVYCEJCU-NSHDSACASA-N 1 2 393.241 3.384 20 5 GGBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000093004892 564883781 /nfs/dbraw/zinc/88/37/81/564883781.db2.gz UDTXTRRFNWRMAE-UHFFFAOYSA-N 1 2 393.241 3.131 20 5 GGBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000093004892 564883784 /nfs/dbraw/zinc/88/37/84/564883784.db2.gz UDTXTRRFNWRMAE-UHFFFAOYSA-N 1 2 393.241 3.131 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151494657 564922164 /nfs/dbraw/zinc/92/21/64/564922164.db2.gz PHNKLWZVNZDMBU-UHFFFAOYSA-N 1 2 395.257 3.075 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151494657 564922170 /nfs/dbraw/zinc/92/21/70/564922170.db2.gz PHNKLWZVNZDMBU-UHFFFAOYSA-N 1 2 395.257 3.075 20 5 GGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc(Br)cn1C ZINC000151541852 564925477 /nfs/dbraw/zinc/92/54/77/564925477.db2.gz HJGXLHSJINJTKH-NSHDSACASA-N 1 2 395.257 3.155 20 5 GGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc(Br)cn1C ZINC000151541852 564925479 /nfs/dbraw/zinc/92/54/79/564925479.db2.gz HJGXLHSJINJTKH-NSHDSACASA-N 1 2 395.257 3.155 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cc(Br)cn1C ZINC000151585690 564928517 /nfs/dbraw/zinc/92/85/17/564928517.db2.gz YUEIFJPETUUTRM-LLVKDONJSA-N 1 2 395.257 3.155 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151585690 564928519 /nfs/dbraw/zinc/92/85/19/564928519.db2.gz YUEIFJPETUUTRM-LLVKDONJSA-N 1 2 395.257 3.155 20 5 GGBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000107293874 564997263 /nfs/dbraw/zinc/99/72/63/564997263.db2.gz CWMOQERUDCDAKD-UHFFFAOYSA-N 1 2 383.145 3.155 20 5 GGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(c3scnc3Br)CC2)cc1 ZINC000369704250 565108055 /nfs/dbraw/zinc/10/80/55/565108055.db2.gz PNEQBVXXIDIFQS-UHFFFAOYSA-N 1 2 398.282 3.297 20 5 GGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncc([N+](=O)[O-])cc1Br)C2 ZINC000267213391 565110683 /nfs/dbraw/zinc/11/06/83/565110683.db2.gz HRPVONMRBPQLHY-UHFFFAOYSA-N 1 2 380.246 3.172 20 5 GGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)ccc1Br ZINC000369958444 565119393 /nfs/dbraw/zinc/11/93/93/565119393.db2.gz GGZJQBRAMUYSSY-AWEZNQCLSA-N 1 2 399.285 3.375 20 5 GGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)ccc1Br ZINC000369958445 565119681 /nfs/dbraw/zinc/11/96/81/565119681.db2.gz GGZJQBRAMUYSSY-CQSZACIVSA-N 1 2 399.285 3.375 20 5 GGBDLO COc1cc(C[N@H+](C)Cc2cc(Br)cn2C)c([N+](=O)[O-])cc1F ZINC000184235794 565121305 /nfs/dbraw/zinc/12/13/05/565121305.db2.gz WMWVEGHIOMFUNZ-UHFFFAOYSA-N 1 2 386.221 3.476 20 5 GGBDLO COc1cc(C[N@@H+](C)Cc2cc(Br)cn2C)c([N+](=O)[O-])cc1F ZINC000184235794 565121308 /nfs/dbraw/zinc/12/13/08/565121308.db2.gz WMWVEGHIOMFUNZ-UHFFFAOYSA-N 1 2 386.221 3.476 20 5 GGBDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000292709397 565130094 /nfs/dbraw/zinc/13/00/94/565130094.db2.gz BCBKCODMJIMUCP-JTQLQIEISA-N 1 2 380.388 3.011 20 5 GGBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000292709397 565130100 /nfs/dbraw/zinc/13/01/00/565130100.db2.gz BCBKCODMJIMUCP-JTQLQIEISA-N 1 2 380.388 3.011 20 5 GGBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268502688 565156406 /nfs/dbraw/zinc/15/64/06/565156406.db2.gz SSYAFDAIXPYKKW-GFCCVEGCSA-N 1 2 392.257 3.031 20 5 GGBDLO NC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000185035913 565172868 /nfs/dbraw/zinc/17/28/68/565172868.db2.gz RTJXSQBTABYTCU-AWEZNQCLSA-N 1 2 398.644 3.327 20 5 GGBDLO NC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000185035931 565173246 /nfs/dbraw/zinc/17/32/46/565173246.db2.gz RTJXSQBTABYTCU-CQSZACIVSA-N 1 2 398.644 3.327 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000371055306 565175396 /nfs/dbraw/zinc/17/53/96/565175396.db2.gz QRJPJRRXBZSMJT-SNVBAGLBSA-N 1 2 394.229 3.112 20 5 GGBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269975596 565204610 /nfs/dbraw/zinc/20/46/10/565204610.db2.gz MPXPOKMWLHTQIQ-JTQLQIEISA-N 1 2 394.229 3.492 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000159832848 565219960 /nfs/dbraw/zinc/21/99/60/565219960.db2.gz UBPNVYFFLZYACG-MRXNPFEDSA-N 1 2 379.869 3.200 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000159832848 565219966 /nfs/dbraw/zinc/21/99/66/565219966.db2.gz UBPNVYFFLZYACG-MRXNPFEDSA-N 1 2 379.869 3.200 20 5 GGBDLO CCCNC(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000271051300 565237621 /nfs/dbraw/zinc/23/76/21/565237621.db2.gz VWGBNQDKTMQWHV-UHFFFAOYSA-N 1 2 384.274 3.096 20 5 GGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)C1 ZINC000272351006 565284860 /nfs/dbraw/zinc/28/48/60/565284860.db2.gz AFAOBDHDLFDAFS-ZDUSSCGKSA-N 1 2 397.229 3.189 20 5 GGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)C1 ZINC000272351006 565284865 /nfs/dbraw/zinc/28/48/65/565284865.db2.gz AFAOBDHDLFDAFS-ZDUSSCGKSA-N 1 2 397.229 3.189 20 5 GGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)C1 ZINC000272702785 565294039 /nfs/dbraw/zinc/29/40/39/565294039.db2.gz WNZOPHYQRJUDNJ-CYBMUJFWSA-N 1 2 397.229 3.189 20 5 GGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)C1 ZINC000272702785 565294046 /nfs/dbraw/zinc/29/40/46/565294046.db2.gz WNZOPHYQRJUDNJ-CYBMUJFWSA-N 1 2 397.229 3.189 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000186929255 565295662 /nfs/dbraw/zinc/29/56/62/565295662.db2.gz XMTMTYKXVMGMJN-UHFFFAOYSA-N 1 2 380.491 3.310 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1(C)C ZINC000296015204 565298350 /nfs/dbraw/zinc/29/83/50/565298350.db2.gz WQJSIBPGIAVQSP-ZDUSSCGKSA-N 1 2 393.241 3.314 20 5 GGBDLO CC(C)[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1[nH]cc[nH+]1 ZINC000296082398 565301410 /nfs/dbraw/zinc/30/14/10/565301410.db2.gz PYUNDWOKOZOWJG-LLVKDONJSA-N 1 2 393.252 3.300 20 5 GGBDLO O=[N+]([O-])c1cc(CNc2ccc(-c3cncnc3)c[nH+]2)ccc1Br ZINC000373994195 565314634 /nfs/dbraw/zinc/31/46/34/565314634.db2.gz FPEDARACEZNVTI-UHFFFAOYSA-N 1 2 386.209 3.243 20 5 GGBDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163294330 565342678 /nfs/dbraw/zinc/34/26/78/565342678.db2.gz CJASVZFMASYERQ-NSHDSACASA-N 1 2 383.857 3.089 20 5 GGBDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163294330 565342681 /nfs/dbraw/zinc/34/26/81/565342681.db2.gz CJASVZFMASYERQ-NSHDSACASA-N 1 2 383.857 3.089 20 5 GGBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH+](CC(F)F)CC1 ZINC000297732593 565384441 /nfs/dbraw/zinc/38/44/41/565384441.db2.gz KGXZKJSZSTXZPS-UHFFFAOYSA-N 1 2 392.200 3.273 20 5 GGBDLO Cc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000375658820 565399834 /nfs/dbraw/zinc/39/98/34/565399834.db2.gz TTWITAYYICPOKC-HNNXBMFYSA-N 1 2 395.257 3.339 20 5 GGBDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000171758632 565449720 /nfs/dbraw/zinc/44/97/20/565449720.db2.gz RICYSDYHQIHKRV-MEBBXXQBSA-N 1 2 378.226 3.235 20 5 GGBDLO CNc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000301106763 565465004 /nfs/dbraw/zinc/46/50/04/565465004.db2.gz RLTRBWOSUWCZIQ-UHFFFAOYSA-N 1 2 376.316 3.069 20 5 GGBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000277118032 565476978 /nfs/dbraw/zinc/47/69/78/565476978.db2.gz FFZSYOMGWGMKDA-JTQLQIEISA-N 1 2 379.214 3.100 20 5 GGBDLO C[C@@H]1C[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000301524257 565492026 /nfs/dbraw/zinc/49/20/26/565492026.db2.gz IFUHNRXLLQEQID-GHMZBOCLSA-N 1 2 387.278 3.052 20 5 GGBDLO C[C@H]1C[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301524261 565492716 /nfs/dbraw/zinc/49/27/16/565492716.db2.gz IFUHNRXLLQEQID-QWRGUYRKSA-N 1 2 387.278 3.052 20 5 GGBDLO O=[N+]([O-])c1cncc(Br)c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000301829820 565511901 /nfs/dbraw/zinc/51/19/01/565511901.db2.gz HBBFONKDKPJSTB-UHFFFAOYSA-N 1 2 378.230 3.360 20 5 GGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)CCC2 ZINC000378244458 565517836 /nfs/dbraw/zinc/51/78/36/565517836.db2.gz PXDCDXNGGKRCGL-NSHDSACASA-N 1 2 393.241 3.170 20 5 GGBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1SCC[NH+]1CCOCC1 ZINC000278335680 565552235 /nfs/dbraw/zinc/55/22/35/565552235.db2.gz CCLQHVLIOMSMSU-UHFFFAOYSA-N 1 2 387.330 3.068 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302741440 565554168 /nfs/dbraw/zinc/55/41/68/565554168.db2.gz CZRKQLRQAJCZNK-CQSZACIVSA-N 1 2 381.230 3.030 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1Br ZINC000278460991 565559958 /nfs/dbraw/zinc/55/99/58/565559958.db2.gz ZVXKGXMJIKTICG-ZWNOBZJWSA-N 1 2 397.191 3.493 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1Br ZINC000278460991 565559962 /nfs/dbraw/zinc/55/99/62/565559962.db2.gz ZVXKGXMJIKTICG-ZWNOBZJWSA-N 1 2 397.191 3.493 20 5 GGBDLO COC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000322948331 565611313 /nfs/dbraw/zinc/61/13/13/565611313.db2.gz JXNSYZYAXJXOGJ-UHFFFAOYSA-N 1 2 379.210 3.434 20 5 GGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000281903362 565754605 /nfs/dbraw/zinc/75/46/05/565754605.db2.gz FQLLWIQWLNFBMR-NSHDSACASA-N 1 2 384.483 3.008 20 5 GGBDLO C[N@H+](CCSc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000193744379 565773607 /nfs/dbraw/zinc/77/36/07/565773607.db2.gz DWEOUOFWHVWAMO-UHFFFAOYSA-N 1 2 386.520 3.284 20 5 GGBDLO C[N@@H+](CCSc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000193744379 565773610 /nfs/dbraw/zinc/77/36/10/565773610.db2.gz DWEOUOFWHVWAMO-UHFFFAOYSA-N 1 2 386.520 3.284 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCSC2CCCCC2)CC1 ZINC000331901914 565791969 /nfs/dbraw/zinc/79/19/69/565791969.db2.gz WCIPDIFDUQIQLO-UHFFFAOYSA-N 1 2 383.539 3.480 20 5 GGBDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000332008981 565799663 /nfs/dbraw/zinc/79/96/63/565799663.db2.gz QJOVGHFOSVUFLZ-NXEZZACHSA-N 1 2 388.287 3.118 20 5 GGBDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000332008981 565799666 /nfs/dbraw/zinc/79/96/66/565799666.db2.gz QJOVGHFOSVUFLZ-NXEZZACHSA-N 1 2 388.287 3.118 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283271293 565814116 /nfs/dbraw/zinc/81/41/16/565814116.db2.gz ASMNLNRHDPHJTP-LLVKDONJSA-N 1 2 393.241 3.409 20 5 GGBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000194552410 565822341 /nfs/dbraw/zinc/82/23/41/565822341.db2.gz HAHBKGYJPAJUBQ-UHFFFAOYSA-N 1 2 389.209 3.061 20 5 GGBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000177062661 565826304 /nfs/dbraw/zinc/82/63/04/565826304.db2.gz CTTSNBFTMCNDLK-UHFFFAOYSA-N 1 2 379.214 3.031 20 5 GGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000332389565 565834290 /nfs/dbraw/zinc/83/42/90/565834290.db2.gz LGIMZEAYBOGLSB-UHFFFAOYSA-N 1 2 379.258 3.470 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284360499 565850341 /nfs/dbraw/zinc/85/03/41/565850341.db2.gz DJLXJUDKBZQSHZ-DZGCQCFKSA-N 1 2 388.251 3.058 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284360499 565850344 /nfs/dbraw/zinc/85/03/44/565850344.db2.gz DJLXJUDKBZQSHZ-DZGCQCFKSA-N 1 2 388.251 3.058 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)c2ncc(Br)cc2[N+](=O)[O-])c1C ZINC000177821992 565875587 /nfs/dbraw/zinc/87/55/87/565875587.db2.gz FNPLICCXZSJASW-UHFFFAOYSA-N 1 2 381.230 3.409 20 5 GGBDLO Cc1c(Br)cc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000178849415 565941683 /nfs/dbraw/zinc/94/16/83/565941683.db2.gz FCHHZFPTPIYOSI-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000286164975 565945716 /nfs/dbraw/zinc/94/57/16/565945716.db2.gz YDZYKSROZRJOFM-NSHDSACASA-N 1 2 388.808 3.026 20 5 GGBDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000179218410 565967004 /nfs/dbraw/zinc/96/70/04/565967004.db2.gz IYYWLAKPQITKSO-MEBBXXQBSA-N 1 2 378.226 3.235 20 5 GGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)CCC2 ZINC000362441936 565981214 /nfs/dbraw/zinc/98/12/14/565981214.db2.gz MYPNXIKDQGMGLZ-LLVKDONJSA-N 1 2 393.241 3.170 20 5 GGBDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000179673513 565998976 /nfs/dbraw/zinc/99/89/76/565998976.db2.gz HGNBJVBRHPQIRM-NSHDSACASA-N 1 2 393.241 3.384 20 5 GGBDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000179673513 565998979 /nfs/dbraw/zinc/99/89/79/565998979.db2.gz HGNBJVBRHPQIRM-NSHDSACASA-N 1 2 393.241 3.384 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@@H](NCc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000247800417 566066780 /nfs/dbraw/zinc/06/67/80/566066780.db2.gz UUGSXMFEIQCIMO-RDJZCZTQSA-N 1 2 381.885 3.471 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@@H](NCc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000247800417 566066784 /nfs/dbraw/zinc/06/67/84/566066784.db2.gz UUGSXMFEIQCIMO-RDJZCZTQSA-N 1 2 381.885 3.471 20 5 GGBDLO CN1CCO[C@H]([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000247800417 566066789 /nfs/dbraw/zinc/06/67/89/566066789.db2.gz UUGSXMFEIQCIMO-RDJZCZTQSA-N 1 2 381.885 3.471 20 5 GGBDLO Cc1c(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181066080 566110058 /nfs/dbraw/zinc/11/00/58/566110058.db2.gz XWAHSPPLKJOYNS-INIZCTEOSA-N 1 2 392.253 3.324 20 5 GGBDLO Cc1c(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181066080 566110063 /nfs/dbraw/zinc/11/00/63/566110063.db2.gz XWAHSPPLKJOYNS-INIZCTEOSA-N 1 2 392.253 3.324 20 5 GGBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(F)(F)F ZINC000289365604 566119660 /nfs/dbraw/zinc/11/96/60/566119660.db2.gz AQDCONQLCSMTQS-SNVBAGLBSA-N 1 2 379.766 3.139 20 5 GGBDLO O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(F)(F)F ZINC000289365604 566119666 /nfs/dbraw/zinc/11/96/66/566119666.db2.gz AQDCONQLCSMTQS-SNVBAGLBSA-N 1 2 379.766 3.139 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000366930334 566176768 /nfs/dbraw/zinc/17/67/68/566176768.db2.gz AMLWBUVHPRVZRY-LLVKDONJSA-N 1 2 393.241 3.029 20 5 GGBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000290752458 566187517 /nfs/dbraw/zinc/18/75/17/566187517.db2.gz MVZQWGREXXONHU-LLVKDONJSA-N 1 2 388.808 3.026 20 5 GGBDLO CC[C@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182209900 566189080 /nfs/dbraw/zinc/18/90/80/566189080.db2.gz KTABTLKFUBTNIP-INIZCTEOSA-N 1 2 380.491 3.439 20 5 GGBDLO CC[C@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182209900 566189083 /nfs/dbraw/zinc/18/90/83/566189083.db2.gz KTABTLKFUBTNIP-INIZCTEOSA-N 1 2 380.491 3.439 20 5 GGBDLO CC[C@@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182209877 566189815 /nfs/dbraw/zinc/18/98/15/566189815.db2.gz KTABTLKFUBTNIP-MRXNPFEDSA-N 1 2 380.491 3.439 20 5 GGBDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182209877 566189824 /nfs/dbraw/zinc/18/98/24/566189824.db2.gz KTABTLKFUBTNIP-MRXNPFEDSA-N 1 2 380.491 3.439 20 5 GGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000265007329 566230161 /nfs/dbraw/zinc/23/01/61/566230161.db2.gz KUBAOIHFVFSQLO-UHFFFAOYSA-N 1 2 376.722 3.279 20 5 GGBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599322974 566253207 /nfs/dbraw/zinc/25/32/07/566253207.db2.gz WVRZILCAJAPKOG-NSHDSACASA-N 1 2 379.214 3.031 20 5 GGBDLO O=C(CSc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000509080286 566261804 /nfs/dbraw/zinc/26/18/04/566261804.db2.gz GXLWRYSQYYYOCM-UHFFFAOYSA-N 1 2 377.491 3.093 20 5 GGBDLO O=C(CSc1cccc([N+](=O)[O-])c1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000509090380 566261845 /nfs/dbraw/zinc/26/18/45/566261845.db2.gz QBMDNNQWSQNKJX-UHFFFAOYSA-N 1 2 378.479 3.378 20 5 GGBDLO C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000599661921 566284876 /nfs/dbraw/zinc/28/48/76/566284876.db2.gz HAPVVQCFHCHNHS-FZMZJTMJSA-N 1 2 393.241 3.277 20 5 GGBDLO Cc1c(Br)cccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535584457 566313447 /nfs/dbraw/zinc/31/34/47/566313447.db2.gz OFVRWCAJOWLCHK-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1Br ZINC000535785851 566326670 /nfs/dbraw/zinc/32/66/70/566326670.db2.gz YDJSJVXRLDCYDE-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000446739235 566364322 /nfs/dbraw/zinc/36/43/22/566364322.db2.gz RVAMZNCKHQHOCL-ZWNOBZJWSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000446739235 566364328 /nfs/dbraw/zinc/36/43/28/566364328.db2.gz RVAMZNCKHQHOCL-ZWNOBZJWSA-N 1 2 385.251 3.078 20 5 GGBDLO O=C(C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000483230034 566365461 /nfs/dbraw/zinc/36/54/61/566365461.db2.gz GLPYEGVPLVILFV-ZDUSSCGKSA-N 1 2 384.219 3.163 20 5 GGBDLO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000577526635 566442367 /nfs/dbraw/zinc/44/23/67/566442367.db2.gz GQLVROOBCCFWEE-OAHLLOKOSA-N 1 2 396.285 3.094 20 5 GGBDLO CSc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000511148481 566442601 /nfs/dbraw/zinc/44/26/01/566442601.db2.gz YTSVPALYZVSPLD-UHFFFAOYSA-N 1 2 377.491 3.336 20 5 GGBDLO Cc1noc([C@H]2CCC[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)n1 ZINC000602445286 566471880 /nfs/dbraw/zinc/47/18/80/566471880.db2.gz OLXCHIGTPSCCMB-VIFPVBQESA-N 1 2 387.259 3.490 20 5 GGBDLO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)n1 ZINC000602445286 566471888 /nfs/dbraw/zinc/47/18/88/566471888.db2.gz OLXCHIGTPSCCMB-VIFPVBQESA-N 1 2 387.259 3.490 20 5 GGBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1Br ZINC000602482195 566473740 /nfs/dbraw/zinc/47/37/40/566473740.db2.gz NWVDPNJVMZSIOO-NSHDSACASA-N 1 2 391.287 3.189 20 5 GGBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602554015 566478180 /nfs/dbraw/zinc/47/81/80/566478180.db2.gz YKXWBNLCJAJQNQ-GFCCVEGCSA-N 1 2 387.255 3.251 20 5 GGBDLO COCc1nc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cs1 ZINC000602667219 566484855 /nfs/dbraw/zinc/48/48/55/566484855.db2.gz NYKNYPRNDKDGBE-UHFFFAOYSA-N 1 2 378.273 3.312 20 5 GGBDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602682592 566487007 /nfs/dbraw/zinc/48/70/07/566487007.db2.gz MPOJEBMCAKYHKS-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602682592 566487012 /nfs/dbraw/zinc/48/70/12/566487012.db2.gz MPOJEBMCAKYHKS-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO Cn1ncc(Br)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602735805 566491916 /nfs/dbraw/zinc/49/19/16/566491916.db2.gz YIEIUXXXSAAAMQ-UHFFFAOYSA-N 1 2 393.163 3.399 20 5 GGBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000578233452 566503540 /nfs/dbraw/zinc/50/35/40/566503540.db2.gz RBUDZMDRBRRNEC-AWEZNQCLSA-N 1 2 381.226 3.189 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512841054 566562913 /nfs/dbraw/zinc/56/29/13/566562913.db2.gz QBCCCFGUYNRHSG-VHSXEESVSA-N 1 2 377.775 3.136 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512841054 566562916 /nfs/dbraw/zinc/56/29/16/566562916.db2.gz QBCCCFGUYNRHSG-VHSXEESVSA-N 1 2 377.775 3.136 20 5 GGBDLO CS[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449444682 566562942 /nfs/dbraw/zinc/56/29/42/566562942.db2.gz CIFOUTLZXJZXBF-LBPRGKRZSA-N 1 2 378.235 3.137 20 5 GGBDLO CS[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449444682 566562945 /nfs/dbraw/zinc/56/29/45/566562945.db2.gz CIFOUTLZXJZXBF-LBPRGKRZSA-N 1 2 378.235 3.137 20 5 GGBDLO CO[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449495163 566569884 /nfs/dbraw/zinc/56/98/84/566569884.db2.gz HLGALVKFBIJGHE-IINYFYTJSA-N 1 2 390.221 3.056 20 5 GGBDLO CO[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449495163 566569885 /nfs/dbraw/zinc/56/98/85/566569885.db2.gz HLGALVKFBIJGHE-IINYFYTJSA-N 1 2 390.221 3.056 20 5 GGBDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c2nccn21 ZINC000449568724 566576816 /nfs/dbraw/zinc/57/68/16/566576816.db2.gz CSCWOTSVUFQFRH-NOZJJQNGSA-N 1 2 398.204 3.192 20 5 GGBDLO CSc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000579143222 566583672 /nfs/dbraw/zinc/58/36/72/566583672.db2.gz KQXNOVWJVIMSTO-UHFFFAOYSA-N 1 2 377.491 3.336 20 5 GGBDLO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000449709071 566594515 /nfs/dbraw/zinc/59/45/15/566594515.db2.gz XYPKTSIHSRLFQI-UHFFFAOYSA-N 1 2 399.188 3.355 20 5 GGBDLO Cc1[nH]c2ccc(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)cc2[nH+]1 ZINC000467207841 566633534 /nfs/dbraw/zinc/63/35/34/566633534.db2.gz QCDDOGORYLARDG-UHFFFAOYSA-N 1 2 377.198 3.060 20 5 GGBDLO Cc1[nH]c2cc(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)ccc2[nH+]1 ZINC000467207841 566633538 /nfs/dbraw/zinc/63/35/38/566633538.db2.gz QCDDOGORYLARDG-UHFFFAOYSA-N 1 2 377.198 3.060 20 5 GGBDLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425390395 566637072 /nfs/dbraw/zinc/63/70/72/566637072.db2.gz BIHQASGCVCAKON-CYBMUJFWSA-N 1 2 398.301 3.486 20 5 GGBDLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425390395 566637073 /nfs/dbraw/zinc/63/70/73/566637073.db2.gz BIHQASGCVCAKON-CYBMUJFWSA-N 1 2 398.301 3.486 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000425399393 566637981 /nfs/dbraw/zinc/63/79/81/566637981.db2.gz DRFXBACUNZYKCA-CMPLNLGQSA-N 1 2 383.164 3.245 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000425399393 566637984 /nfs/dbraw/zinc/63/79/84/566637984.db2.gz DRFXBACUNZYKCA-CMPLNLGQSA-N 1 2 383.164 3.245 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000425413351 566639432 /nfs/dbraw/zinc/63/94/32/566639432.db2.gz CIBGDHQHAPVLDC-OAHLLOKOSA-N 1 2 385.258 3.127 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000425416785 566642103 /nfs/dbraw/zinc/64/21/03/566642103.db2.gz LWJBAVFBNPTZSF-QGZVFWFLSA-N 1 2 377.238 3.449 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000425416785 566642109 /nfs/dbraw/zinc/64/21/09/566642109.db2.gz LWJBAVFBNPTZSF-QGZVFWFLSA-N 1 2 377.238 3.449 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000425418829 566642293 /nfs/dbraw/zinc/64/22/93/566642293.db2.gz JWQGFFHMGZXMDN-UHFFFAOYSA-N 1 2 378.217 3.130 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000425418829 566642297 /nfs/dbraw/zinc/64/22/97/566642297.db2.gz JWQGFFHMGZXMDN-UHFFFAOYSA-N 1 2 378.217 3.130 20 5 GGBDLO COCC[N@H+](Cc1cncs1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425480884 566649199 /nfs/dbraw/zinc/64/91/99/566649199.db2.gz PNUINRMMBKPJJV-UHFFFAOYSA-N 1 2 386.271 3.462 20 5 GGBDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425480884 566649200 /nfs/dbraw/zinc/64/92/00/566649200.db2.gz PNUINRMMBKPJJV-UHFFFAOYSA-N 1 2 386.271 3.462 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000425481411 566649548 /nfs/dbraw/zinc/64/95/48/566649548.db2.gz PTTUWDQJYKHXSQ-GWCFXTLKSA-N 1 2 397.191 3.493 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000425481411 566649556 /nfs/dbraw/zinc/64/95/56/566649556.db2.gz PTTUWDQJYKHXSQ-GWCFXTLKSA-N 1 2 397.191 3.493 20 5 GGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000560808146 566661094 /nfs/dbraw/zinc/66/10/94/566661094.db2.gz ZHNGTQGDWJYADH-UHFFFAOYSA-N 1 2 388.225 3.228 20 5 GGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000561123670 566677736 /nfs/dbraw/zinc/67/77/36/566677736.db2.gz RHSCAMZJUJWITI-JTQLQIEISA-N 1 2 385.243 3.033 20 5 GGBDLO Cc1c(Br)c(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000541578917 566734812 /nfs/dbraw/zinc/73/48/12/566734812.db2.gz OUNVPMWGNVLUAR-CHWSQXEVSA-N 1 2 399.289 3.116 20 5 GGBDLO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000516221423 566753642 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GGBDLO Cn1cc(Br)c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451553661 566837719 /nfs/dbraw/zinc/83/77/19/566837719.db2.gz YJCMXGQBYONDGC-CYBMUJFWSA-N 1 2 379.258 3.470 20 5 GGBDLO Cn1cc(Br)c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451553661 566837729 /nfs/dbraw/zinc/83/77/29/566837729.db2.gz YJCMXGQBYONDGC-CYBMUJFWSA-N 1 2 379.258 3.470 20 5 GGBDLO CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c[nH+]1 ZINC000543450881 566882679 /nfs/dbraw/zinc/88/26/79/566882679.db2.gz DKVILMVOXUYUFU-UHFFFAOYSA-N 1 2 394.273 3.336 20 5 GGBDLO Cn1cc(Br)cc1C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611286009 566905864 /nfs/dbraw/zinc/90/58/64/566905864.db2.gz VOXMYOQCKZTHCH-UHFFFAOYSA-N 1 2 396.241 3.099 20 5 GGBDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611286009 566905874 /nfs/dbraw/zinc/90/58/74/566905874.db2.gz VOXMYOQCKZTHCH-UHFFFAOYSA-N 1 2 396.241 3.099 20 5 GGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c(F)c1 ZINC000492059266 566923361 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20 5 GGBDLO Cc1c(Br)cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456420964 567373327 /nfs/dbraw/zinc/37/33/27/567373327.db2.gz MWOSEGYNGZJUDI-QPUJVOFHSA-N 1 2 379.214 3.298 20 5 GGBDLO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCNc1cccc[nH+]1 ZINC000502088061 567419222 /nfs/dbraw/zinc/41/92/22/567419222.db2.gz KOMWYXUSSZOVTA-UHFFFAOYSA-N 1 2 388.225 3.246 20 5 GGBDLO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCCn1cc[nH+]c1 ZINC000502098171 567420283 /nfs/dbraw/zinc/42/02/83/567420283.db2.gz MSTVDKJRZSNONI-UHFFFAOYSA-N 1 2 376.214 3.026 20 5 GGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457289443 567453460 /nfs/dbraw/zinc/45/34/60/567453460.db2.gz KUXODVXWFFPJEZ-SECBINFHSA-N 1 2 384.845 3.172 20 5 GGBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000594582633 567488856 /nfs/dbraw/zinc/48/88/56/567488856.db2.gz PITDDNYHUSBICG-UHFFFAOYSA-N 1 2 384.483 3.002 20 5 GGBDLO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000438249520 567525471 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3.144 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(O)c3Br)C2)nc1 ZINC000459337614 567617053 /nfs/dbraw/zinc/61/70/53/567617053.db2.gz FKPFKJGSAHPTSE-LBPRGKRZSA-N 1 2 393.241 3.144 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000552942177 567617781 /nfs/dbraw/zinc/61/77/81/567617781.db2.gz GAUQHKYGHKJSHB-AWEZNQCLSA-N 1 2 393.241 3.280 20 5 GGBDLO Cc1cc(F)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000459473165 567627428 /nfs/dbraw/zinc/62/74/28/567627428.db2.gz BAPULCKYGNLJPO-UHFFFAOYSA-N 1 2 386.832 3.259 20 5 GGBDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2n1C ZINC000531199322 567646444 /nfs/dbraw/zinc/64/64/44/567646444.db2.gz OVPIONPKLOEMRP-UHFFFAOYSA-N 1 2 380.813 3.244 20 5 GGBDLO C[C@@H]1CSCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572608022 567652045 /nfs/dbraw/zinc/65/20/45/567652045.db2.gz QTMFCSOHPGOMRL-SECBINFHSA-N 1 2 378.235 3.137 20 5 GGBDLO C[C@@H]1CSCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572608022 567652048 /nfs/dbraw/zinc/65/20/48/567652048.db2.gz QTMFCSOHPGOMRL-SECBINFHSA-N 1 2 378.235 3.137 20 5 GGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000441493402 567665308 /nfs/dbraw/zinc/66/53/08/567665308.db2.gz SWKCCUAYDYIYHP-NSHDSACASA-N 1 2 393.241 3.384 20 5 GGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000441493402 567665315 /nfs/dbraw/zinc/66/53/15/567665315.db2.gz SWKCCUAYDYIYHP-NSHDSACASA-N 1 2 393.241 3.384 20 5 GGBDLO Cc1cnc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)s1 ZINC000554972385 567761630 /nfs/dbraw/zinc/76/16/30/567761630.db2.gz WYCWXNLJMOHIKX-UHFFFAOYSA-N 1 2 389.218 3.254 20 5 GGBDLO COc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(Br)cn1 ZINC000598615419 567779721 /nfs/dbraw/zinc/77/97/21/567779721.db2.gz ARHVEOVROYWHHJ-UHFFFAOYSA-N 1 2 380.242 3.435 20 5 GGBDLO COc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(Br)cn1 ZINC000598615419 567779724 /nfs/dbraw/zinc/77/97/24/567779724.db2.gz ARHVEOVROYWHHJ-UHFFFAOYSA-N 1 2 380.242 3.435 20 5 GGBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C)CS(=O)(=O)CC ZINC000555364841 567781485 /nfs/dbraw/zinc/78/14/85/567781485.db2.gz YZVFEKIRQHVBIN-NSHDSACASA-N 1 2 382.404 3.259 20 5 GGBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C)CS(=O)(=O)CC ZINC000555364841 567781488 /nfs/dbraw/zinc/78/14/88/567781488.db2.gz YZVFEKIRQHVBIN-NSHDSACASA-N 1 2 382.404 3.259 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534526307 567813598 /nfs/dbraw/zinc/81/35/98/567813598.db2.gz SYXLDWZKIVGPNQ-UHFFFAOYSA-N 1 2 379.869 3.197 20 5 GGBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000012919941 570294118 /nfs/dbraw/zinc/29/41/18/570294118.db2.gz QWTAPBKEECGPBX-IBGZPJMESA-N 1 2 383.448 3.015 20 5 GGBDLO CCCn1c2ccccc2[nH]c1=NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000006652225 570519033 /nfs/dbraw/zinc/51/90/33/570519033.db2.gz DKFCFLRUAWFDON-UHFFFAOYSA-N 1 2 390.403 3.214 20 5 GGBDLO CCCn1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000006652225 570519036 /nfs/dbraw/zinc/51/90/36/570519036.db2.gz DKFCFLRUAWFDON-UHFFFAOYSA-N 1 2 390.403 3.214 20 5 GGBDLO O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000012528993 570833147 /nfs/dbraw/zinc/83/31/47/570833147.db2.gz GLKFZCOMWYADMU-UHFFFAOYSA-N 1 2 375.388 3.234 20 5 GGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000052807627 570925389 /nfs/dbraw/zinc/92/53/89/570925389.db2.gz QTGCFXFGBNDIDX-HXUWFJFHSA-N 1 2 383.448 3.287 20 5 GGBDLO Cc1[nH+]c2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2n1C1CC1 ZINC000252507428 570978233 /nfs/dbraw/zinc/97/82/33/570978233.db2.gz WLHCZYSFZLLUQV-UHFFFAOYSA-N 1 2 386.433 3.066 20 5 GGBDLO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)cc1F ZINC000826330674 607452419 /nfs/dbraw/zinc/45/24/19/607452419.db2.gz CVKIUJWRJTVVGX-UHFFFAOYSA-N 1 2 394.370 3.020 20 5 GGBDLO Cc1ccc2[nH+]c(CSCC(=O)NCCc3ccc([N+](=O)[O-])cc3)cn2c1 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/nfs/dbraw/zinc/17/70/89/1406177089.db2.gz QEQFGYWITQNZIU-ZDUSSCGKSA-N 1 2 375.406 3.161 20 5 GGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000052803518 1406177102 /nfs/dbraw/zinc/17/71/02/1406177102.db2.gz QEQFGYWITQNZIU-ZDUSSCGKSA-N 1 2 375.406 3.161 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000052865579 1406205544 /nfs/dbraw/zinc/20/55/44/1406205544.db2.gz OBIWWFDUQXGRPC-GOSISDBHSA-N 1 2 399.447 3.223 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000052865579 1406205561 /nfs/dbraw/zinc/20/55/61/1406205561.db2.gz OBIWWFDUQXGRPC-GOSISDBHSA-N 1 2 399.447 3.223 20 5 GGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056872672 1407461326 /nfs/dbraw/zinc/46/13/26/1407461326.db2.gz NWHQKDZSCWDVRS-UHFFFAOYSA-N 1 2 375.388 3.251 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000057457261 1407626302 /nfs/dbraw/zinc/62/63/02/1407626302.db2.gz ZUBSYHLUMSFVMR-MRXNPFEDSA-N 1 2 397.431 3.450 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000057457261 1407626309 /nfs/dbraw/zinc/62/63/09/1407626309.db2.gz ZUBSYHLUMSFVMR-MRXNPFEDSA-N 1 2 397.431 3.450 20 5 GGBDLO CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057638293 1407673794 /nfs/dbraw/zinc/67/37/94/1407673794.db2.gz RTWHGDJGCAPAET-UHFFFAOYSA-N 1 2 394.387 3.172 20 5 GGBDLO Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000057708475 1407696317 /nfs/dbraw/zinc/69/63/17/1407696317.db2.gz XSNVYRCWOXDGOC-QGZVFWFLSA-N 1 2 397.884 3.138 20 5 GGBDLO CCOc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000057814554 1407725137 /nfs/dbraw/zinc/72/51/37/1407725137.db2.gz IXFKOEBUAZKRAY-SFHVURJKSA-N 1 2 399.447 3.131 20 5 GGBDLO CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000057814554 1407725153 /nfs/dbraw/zinc/72/51/53/1407725153.db2.gz IXFKOEBUAZKRAY-SFHVURJKSA-N 1 2 399.447 3.131 20 5 GGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000057814015 1407725724 /nfs/dbraw/zinc/72/57/24/1407725724.db2.gz HCDJOFVWKDGZIN-GOSISDBHSA-N 1 2 399.447 3.131 20 5 GGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000057814015 1407725734 /nfs/dbraw/zinc/72/57/34/1407725734.db2.gz HCDJOFVWKDGZIN-GOSISDBHSA-N 1 2 399.447 3.131 20 5 GGBDLO CC[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000057860452 1407741182 /nfs/dbraw/zinc/74/11/82/1407741182.db2.gz VQUVAAVEVGUQGE-QGZVFWFLSA-N 1 2 389.477 3.052 20 5 GGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000058019278 1407770600 /nfs/dbraw/zinc/77/06/00/1407770600.db2.gz JKODPCZVEWDWAF-AWEZNQCLSA-N 1 2 395.419 3.234 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000058424865 1407826334 /nfs/dbraw/zinc/82/63/34/1407826334.db2.gz OOOBKKJNOHMKIT-OKILXGFUSA-N 1 2 384.436 3.039 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000058424865 1407826335 /nfs/dbraw/zinc/82/63/35/1407826335.db2.gz OOOBKKJNOHMKIT-OKILXGFUSA-N 1 2 384.436 3.039 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1C ZINC000058959038 1407905327 /nfs/dbraw/zinc/90/53/27/1407905327.db2.gz NIPBVKRBFQTBMG-UHFFFAOYSA-N 1 2 382.420 3.229 20 5 GGBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000060551655 1408000418 /nfs/dbraw/zinc/00/04/18/1408000418.db2.gz ARQQZIDCKPXROE-UHFFFAOYSA-N 1 2 379.376 3.072 20 5 GGBDLO O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000061222641 1408092830 /nfs/dbraw/zinc/09/28/30/1408092830.db2.gz HACHJQBSSPJQAM-UHFFFAOYSA-N 1 2 389.371 3.323 20 5 GGBDLO C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000176402373 1428303279 /nfs/dbraw/zinc/30/32/79/1428303279.db2.gz NQJZPTSOWPRTTF-BRWVUGGUSA-N 1 2 399.495 3.340 20 5 GGBDLO COCCCC[N@@H+](Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000064029079 1408470810 /nfs/dbraw/zinc/47/08/10/1408470810.db2.gz HMCVFMLZVBQTGM-UHFFFAOYSA-N 1 2 397.431 3.077 20 5 GGBDLO COCCCC[N@H+](Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000064029079 1408470814 /nfs/dbraw/zinc/47/08/14/1408470814.db2.gz HMCVFMLZVBQTGM-UHFFFAOYSA-N 1 2 397.431 3.077 20 5 GGBDLO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CCn3cccn3)CC2)s1 ZINC000064141967 1408494234 /nfs/dbraw/zinc/49/42/34/1408494234.db2.gz UCNXZALKZJBEKI-UHFFFAOYSA-N 1 2 397.504 3.338 20 5 GGBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000065682748 1408711452 /nfs/dbraw/zinc/71/14/52/1408711452.db2.gz YXOSQXKIIUYJQK-UHFFFAOYSA-N 1 2 385.855 3.214 20 5 GGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000065843271 1408740738 /nfs/dbraw/zinc/74/07/38/1408740738.db2.gz WFUUANQRRUJMLD-UHFFFAOYSA-N 1 2 389.415 3.111 20 5 GGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccccc1Cn1cc[nH+]c1 ZINC000065842194 1408740772 /nfs/dbraw/zinc/74/07/72/1408740772.db2.gz KZVUIKQEEHWPKD-UHFFFAOYSA-N 1 2 389.415 3.111 20 5 GGBDLO CCc1cc2c(ncnc2N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000065947158 1408760831 /nfs/dbraw/zinc/76/08/31/1408760831.db2.gz RLJJHNWYUSGZEQ-UHFFFAOYSA-N 1 2 383.477 3.484 20 5 GGBDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000066864746 1408935269 /nfs/dbraw/zinc/93/52/69/1408935269.db2.gz CUMIJAVJXRIUBQ-QGZVFWFLSA-N 1 2 382.464 3.158 20 5 GGBDLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000066899424 1408945575 /nfs/dbraw/zinc/94/55/75/1408945575.db2.gz FHCLTPDVCAAVHD-SFHVURJKSA-N 1 2 397.431 3.166 20 5 GGBDLO CN(C(=O)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000066899424 1408945579 /nfs/dbraw/zinc/94/55/79/1408945579.db2.gz FHCLTPDVCAAVHD-SFHVURJKSA-N 1 2 397.431 3.166 20 5 GGBDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000066899422 1408945783 /nfs/dbraw/zinc/94/57/83/1408945783.db2.gz FHCLTPDVCAAVHD-GOSISDBHSA-N 1 2 397.431 3.166 20 5 GGBDLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000066899422 1408945788 /nfs/dbraw/zinc/94/57/88/1408945788.db2.gz FHCLTPDVCAAVHD-GOSISDBHSA-N 1 2 397.431 3.166 20 5 GGBDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc([N+](=O)[O-])c3)c2C1 ZINC000067071191 1409001152 /nfs/dbraw/zinc/00/11/52/1409001152.db2.gz JABFBVZZFSQKGI-UHFFFAOYSA-N 1 2 390.443 3.451 20 5 GGBDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc([N+](=O)[O-])c3)c2C1 ZINC000067071191 1409001156 /nfs/dbraw/zinc/00/11/56/1409001156.db2.gz JABFBVZZFSQKGI-UHFFFAOYSA-N 1 2 390.443 3.451 20 5 GGBDLO O=C(c1ccccc1)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067376219 1409091567 /nfs/dbraw/zinc/09/15/67/1409091567.db2.gz MXLWPBJFZHXGRS-HXUWFJFHSA-N 1 2 393.443 3.295 20 5 GGBDLO CCNc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000067523206 1409143243 /nfs/dbraw/zinc/14/32/43/1409143243.db2.gz QFTXIODVLPKNEV-UHFFFAOYSA-N 1 2 383.383 3.281 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000067536670 1409151054 /nfs/dbraw/zinc/15/10/54/1409151054.db2.gz HGNBYHOKRADCBL-UHFFFAOYSA-N 1 2 398.463 3.021 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000067549501 1409157038 /nfs/dbraw/zinc/15/70/38/1409157038.db2.gz DAONNVXHBBQZOP-GJZGRUSLSA-N 1 2 399.447 3.465 20 5 GGBDLO CCOc1ccccc1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067850382 1409243975 /nfs/dbraw/zinc/24/39/75/1409243975.db2.gz CFMVDHMPECDDPV-UHFFFAOYSA-N 1 2 380.404 3.152 20 5 GGBDLO COc1ccc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1[N+](=O)[O-] ZINC000067910124 1409253501 /nfs/dbraw/zinc/25/35/01/1409253501.db2.gz DAXGBQBBKPBAKS-UHFFFAOYSA-N 1 2 390.465 3.227 20 5 GGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCCNc1cccc[nH+]1 ZINC000068422329 1409397426 /nfs/dbraw/zinc/39/74/26/1409397426.db2.gz XDKKTDNFNJHAFR-CYBMUJFWSA-N 1 2 392.843 3.419 20 5 GGBDLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(N)c([N+](=O)[O-])c1 ZINC000068511784 1409422828 /nfs/dbraw/zinc/42/28/28/1409422828.db2.gz BMOCKCCJXVQLAI-UHFFFAOYSA-N 1 2 389.481 3.426 20 5 GGBDLO Cc1noc([C@H]2CCC[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)n1 ZINC000068962357 1409533232 /nfs/dbraw/zinc/53/32/32/1409533232.db2.gz RUZLESWJXZEEOQ-NSHDSACASA-N 1 2 375.410 3.401 20 5 GGBDLO Cc1noc([C@H]2CCC[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)n1 ZINC000068962357 1409533237 /nfs/dbraw/zinc/53/32/37/1409533237.db2.gz RUZLESWJXZEEOQ-NSHDSACASA-N 1 2 375.410 3.401 20 5 GGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069389919 1409625641 /nfs/dbraw/zinc/62/56/41/1409625641.db2.gz KRVOVEOYILDPGC-UHFFFAOYSA-N 1 2 377.404 3.285 20 5 GGBDLO CCCc1[nH]nc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1[N+](=O)[O-] ZINC000069443376 1409635576 /nfs/dbraw/zinc/63/55/76/1409635576.db2.gz VFNBXXXSMYAFRC-UHFFFAOYSA-N 1 2 392.485 3.211 20 5 GGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000069585144 1409657207 /nfs/dbraw/zinc/65/72/07/1409657207.db2.gz YHFQBVWMBZCZJU-UHFFFAOYSA-N 1 2 399.447 3.143 20 5 GGBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000071881431 1409828884 /nfs/dbraw/zinc/82/88/84/1409828884.db2.gz DVOFPADPVPVCRR-UHFFFAOYSA-N 1 2 391.431 3.344 20 5 GGBDLO O=C(CCC1CCCC1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000071906188 1409829656 /nfs/dbraw/zinc/82/96/56/1409829656.db2.gz LEDVXNNBJFRZNG-UHFFFAOYSA-N 1 2 375.469 3.088 20 5 GGBDLO O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000071930248 1409831200 /nfs/dbraw/zinc/83/12/00/1409831200.db2.gz HVPAXCSYTIBOCA-UHFFFAOYSA-N 1 2 380.379 3.381 20 5 GGBDLO COCCCOc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000176734641 1428441712 /nfs/dbraw/zinc/44/17/12/1428441712.db2.gz FSFGJAHVVAOCEX-UHFFFAOYSA-N 1 2 396.403 3.448 20 5 GGBDLO C[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000078928055 1409944777 /nfs/dbraw/zinc/94/47/77/1409944777.db2.gz ISZNZXGKKURFPY-AWEZNQCLSA-N 1 2 391.431 3.370 20 5 GGBDLO C[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[N@H+]1CCc2ccccc2C1 ZINC000078928055 1409944782 /nfs/dbraw/zinc/94/47/82/1409944782.db2.gz ISZNZXGKKURFPY-AWEZNQCLSA-N 1 2 391.431 3.370 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H]3C[NH+]3CCOCC3)cs2)c1 ZINC000092217853 1410120425 /nfs/dbraw/zinc/12/04/25/1410120425.db2.gz QCODSWHUWIDDSF-SFHVURJKSA-N 1 2 388.493 3.015 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000092662654 1410183723 /nfs/dbraw/zinc/18/37/23/1410183723.db2.gz RAEICXWQORWZSR-MRXNPFEDSA-N 1 2 386.395 3.356 20 5 GGBDLO Cc1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000093359027 1410238636 /nfs/dbraw/zinc/23/86/36/1410238636.db2.gz LBEXUKCXLIDXES-UHFFFAOYSA-N 1 2 380.448 3.143 20 5 GGBDLO Cc1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000093359027 1410238644 /nfs/dbraw/zinc/23/86/44/1410238644.db2.gz LBEXUKCXLIDXES-UHFFFAOYSA-N 1 2 380.448 3.143 20 5 GGBDLO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)CS(=O)(=O)CC ZINC000093413979 1410244687 /nfs/dbraw/zinc/24/46/87/1410244687.db2.gz UTKJYBOISJFTNN-AWEZNQCLSA-N 1 2 380.466 3.500 20 5 GGBDLO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)CS(=O)(=O)CC ZINC000093413979 1410244691 /nfs/dbraw/zinc/24/46/91/1410244691.db2.gz UTKJYBOISJFTNN-AWEZNQCLSA-N 1 2 380.466 3.500 20 5 GGBDLO COc1cc(N[C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000093763912 1410264324 /nfs/dbraw/zinc/26/43/24/1410264324.db2.gz ZKYKTGAQAPPORV-HNNXBMFYSA-N 1 2 387.436 3.394 20 5 GGBDLO COc1cc(N[C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000093763912 1410264326 /nfs/dbraw/zinc/26/43/26/1410264326.db2.gz ZKYKTGAQAPPORV-HNNXBMFYSA-N 1 2 387.436 3.394 20 5 GGBDLO CS(=O)(=O)CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000093816369 1410270556 /nfs/dbraw/zinc/27/05/56/1410270556.db2.gz OYPWIEATYJNUBA-UHFFFAOYSA-N 1 2 380.491 3.332 20 5 GGBDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000093816369 1410270561 /nfs/dbraw/zinc/27/05/61/1410270561.db2.gz OYPWIEATYJNUBA-UHFFFAOYSA-N 1 2 380.491 3.332 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000093907148 1410282954 /nfs/dbraw/zinc/28/29/54/1410282954.db2.gz BYSBPIJXYDRXTK-LJQANCHMSA-N 1 2 397.475 3.151 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000093907148 1410282962 /nfs/dbraw/zinc/28/29/62/1410282962.db2.gz BYSBPIJXYDRXTK-LJQANCHMSA-N 1 2 397.475 3.151 20 5 GGBDLO CCc1nn(C)c(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000094169093 1410309004 /nfs/dbraw/zinc/30/90/04/1410309004.db2.gz KHMZYMSYXCAUID-CYBMUJFWSA-N 1 2 377.876 3.427 20 5 GGBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000098094546 1410413603 /nfs/dbraw/zinc/41/36/03/1410413603.db2.gz BIPDMAQHVFDZCL-UHFFFAOYSA-N 1 2 380.360 3.039 20 5 GGBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000101568626 1410468538 /nfs/dbraw/zinc/46/85/38/1410468538.db2.gz GTXLULNEWACKDG-UHFFFAOYSA-N 1 2 379.781 3.202 20 5 GGBDLO Nc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc(F)cc1[N+](=O)[O-] ZINC000101861255 1410509994 /nfs/dbraw/zinc/50/99/94/1410509994.db2.gz CWVNPKAGBMGWEE-UHFFFAOYSA-N 1 2 375.747 3.408 20 5 GGBDLO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000101862542 1410510134 /nfs/dbraw/zinc/51/01/34/1410510134.db2.gz CNDWNUFGYVFZRI-UHFFFAOYSA-N 1 2 398.341 3.210 20 5 GGBDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000101920548 1410523767 /nfs/dbraw/zinc/52/37/67/1410523767.db2.gz QYKDHVHUJYMSMX-INIZCTEOSA-N 1 2 388.399 3.139 20 5 GGBDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000101920548 1410523770 /nfs/dbraw/zinc/52/37/70/1410523770.db2.gz QYKDHVHUJYMSMX-INIZCTEOSA-N 1 2 388.399 3.139 20 5 GGBDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000102794626 1410759900 /nfs/dbraw/zinc/75/99/00/1410759900.db2.gz IVVLOGLAUGSSAE-UHFFFAOYSA-N 1 2 384.436 3.262 20 5 GGBDLO O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000105436992 1411066763 /nfs/dbraw/zinc/06/67/63/1411066763.db2.gz DQHMEARPSBWSBM-UHFFFAOYSA-N 1 2 399.407 3.018 20 5 GGBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000106257418 1411184962 /nfs/dbraw/zinc/18/49/62/1411184962.db2.gz TWSGLNUXVVULND-UHFFFAOYSA-N 1 2 393.447 3.348 20 5 GGBDLO Nc1c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000107275683 1411357666 /nfs/dbraw/zinc/35/76/66/1411357666.db2.gz AKZJJRLVLBIFGH-UHFFFAOYSA-N 1 2 387.415 3.022 20 5 GGBDLO C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000107699702 1411399393 /nfs/dbraw/zinc/39/93/93/1411399393.db2.gz NZSOBRMFNYCPNM-ZWKOTPCHSA-N 1 2 396.491 3.025 20 5 GGBDLO COc1ccccc1C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177044811 1428566368 /nfs/dbraw/zinc/56/63/68/1428566368.db2.gz UQXIRFYCBFCXNE-UHFFFAOYSA-N 1 2 382.420 3.062 20 5 GGBDLO O=C(c1cc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000108308266 1411470119 /nfs/dbraw/zinc/47/01/19/1411470119.db2.gz QPKSWHSFMQUTDH-UHFFFAOYSA-N 1 2 379.420 3.133 20 5 GGBDLO Cc1cc(C)cc(OCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000108894880 1411634069 /nfs/dbraw/zinc/63/40/69/1411634069.db2.gz SIZXPCYQQAGTFC-UHFFFAOYSA-N 1 2 380.404 3.206 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1C ZINC000109466117 1411770626 /nfs/dbraw/zinc/77/06/26/1411770626.db2.gz OLVXPBALAHBZIL-UHFFFAOYSA-N 1 2 395.419 3.073 20 5 GGBDLO Cc1c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cccc1[N+](=O)[O-] ZINC000109581576 1411793895 /nfs/dbraw/zinc/79/38/95/1411793895.db2.gz AWLCXEQVKZCFOS-UHFFFAOYSA-N 1 2 380.404 3.452 20 5 GGBDLO COc1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)ccc1[N+](=O)[O-] ZINC000109581747 1411793939 /nfs/dbraw/zinc/79/39/39/1411793939.db2.gz WYIWULCAMNLBQK-UHFFFAOYSA-N 1 2 396.403 3.153 20 5 GGBDLO Cc1c(CO)cc([N+](=O)[O-])c(NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000110491260 1411852868 /nfs/dbraw/zinc/85/28/68/1411852868.db2.gz ADPGVRIPTWELLY-UHFFFAOYSA-N 1 2 375.385 3.003 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000111312600 1411912969 /nfs/dbraw/zinc/91/29/69/1411912969.db2.gz BEOLNKPOAPWZBB-HNNXBMFYSA-N 1 2 390.465 3.316 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000111312600 1411913000 /nfs/dbraw/zinc/91/30/00/1411913000.db2.gz BEOLNKPOAPWZBB-HNNXBMFYSA-N 1 2 390.465 3.316 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000177171564 1428612437 /nfs/dbraw/zinc/61/24/37/1428612437.db2.gz LIQCEEQOKNHRFY-UHFFFAOYSA-N 1 2 375.347 3.206 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000177171564 1428612449 /nfs/dbraw/zinc/61/24/49/1428612449.db2.gz LIQCEEQOKNHRFY-UHFFFAOYSA-N 1 2 375.347 3.206 20 5 GGBDLO CCc1ccc(-c2noc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)cc1 ZINC000112654639 1412186471 /nfs/dbraw/zinc/18/64/71/1412186471.db2.gz XDMWNEANIBREFW-INIZCTEOSA-N 1 2 394.435 3.289 20 5 GGBDLO CCc1ccc(-c2noc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2)cc1 ZINC000112654639 1412186477 /nfs/dbraw/zinc/18/64/77/1412186477.db2.gz XDMWNEANIBREFW-INIZCTEOSA-N 1 2 394.435 3.289 20 5 GGBDLO COc1ccc(NC(=O)C[NH+]2CCC(COc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000112698303 1412195085 /nfs/dbraw/zinc/19/50/85/1412195085.db2.gz KQLKNLZJPUOTBJ-UHFFFAOYSA-N 1 2 399.447 3.333 20 5 GGBDLO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113324875 1412292453 /nfs/dbraw/zinc/29/24/53/1412292453.db2.gz BACDAXISUZUJBQ-UHFFFAOYSA-N 1 2 396.472 3.467 20 5 GGBDLO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccco1 ZINC000113341278 1412295016 /nfs/dbraw/zinc/29/50/16/1412295016.db2.gz VCCVTEKJYBQACM-LBPRGKRZSA-N 1 2 386.433 3.106 20 5 GGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000114160123 1412385353 /nfs/dbraw/zinc/38/53/53/1412385353.db2.gz KFAASPOBJLXQHP-UHFFFAOYSA-N 1 2 391.431 3.051 20 5 GGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000116740944 1412911669 /nfs/dbraw/zinc/91/16/69/1412911669.db2.gz IRVLMQKSLXMMKM-UHFFFAOYSA-N 1 2 378.816 3.077 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000117629978 1413058417 /nfs/dbraw/zinc/05/84/17/1413058417.db2.gz GXQLFCNUXPNVDW-UHFFFAOYSA-N 1 2 388.786 3.432 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000117892843 1413087648 /nfs/dbraw/zinc/08/76/48/1413087648.db2.gz ARVNHLXUHDSOAF-GOSISDBHSA-N 1 2 399.447 3.394 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000117892843 1413087652 /nfs/dbraw/zinc/08/76/52/1413087652.db2.gz ARVNHLXUHDSOAF-GOSISDBHSA-N 1 2 399.447 3.394 20 5 GGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000118735358 1413213366 /nfs/dbraw/zinc/21/33/66/1413213366.db2.gz JRXBJKLZWXWWFF-ZDUSSCGKSA-N 1 2 390.403 3.158 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000177379250 1428710817 /nfs/dbraw/zinc/71/08/17/1428710817.db2.gz APCZZBHLISTBAP-GOEBONIOSA-N 1 2 379.457 3.067 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000177379250 1428710827 /nfs/dbraw/zinc/71/08/27/1428710827.db2.gz APCZZBHLISTBAP-GOEBONIOSA-N 1 2 379.457 3.067 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000177380593 1428711501 /nfs/dbraw/zinc/71/15/01/1428711501.db2.gz OINWRBSPNQEOMY-MRXNPFEDSA-N 1 2 379.457 3.069 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000177380593 1428711505 /nfs/dbraw/zinc/71/15/05/1428711505.db2.gz OINWRBSPNQEOMY-MRXNPFEDSA-N 1 2 379.457 3.069 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118835816 1413237717 /nfs/dbraw/zinc/23/77/17/1413237717.db2.gz JVHUDODOKSEDFF-QGZVFWFLSA-N 1 2 397.479 3.006 20 5 GGBDLO CCn1c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2c1cccc2F ZINC000118866253 1413253852 /nfs/dbraw/zinc/25/38/52/1413253852.db2.gz WMMLVHMITHQAKU-ZDUSSCGKSA-N 1 2 384.415 3.185 20 5 GGBDLO CCn1c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2c1cccc2F ZINC000118866253 1413253858 /nfs/dbraw/zinc/25/38/58/1413253858.db2.gz WMMLVHMITHQAKU-ZDUSSCGKSA-N 1 2 384.415 3.185 20 5 GGBDLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000177409946 1428723423 /nfs/dbraw/zinc/72/34/23/1428723423.db2.gz QYLJELSGPLAWMH-ACJLOTCBSA-N 1 2 396.403 3.285 20 5 GGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000119179251 1413367005 /nfs/dbraw/zinc/36/70/05/1413367005.db2.gz VCFNPJNCCFZCLY-GFCCVEGCSA-N 1 2 396.369 3.442 20 5 GGBDLO C[C@@H](c1ccco1)[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000119192738 1413371394 /nfs/dbraw/zinc/37/13/94/1413371394.db2.gz AFHQTSLPOCXBSV-INIZCTEOSA-N 1 2 398.463 3.062 20 5 GGBDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000119192738 1413371401 /nfs/dbraw/zinc/37/14/01/1413371401.db2.gz AFHQTSLPOCXBSV-INIZCTEOSA-N 1 2 398.463 3.062 20 5 GGBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)CC1 ZINC000119302249 1413404554 /nfs/dbraw/zinc/40/45/54/1413404554.db2.gz OUXACKOACMZJEZ-UHFFFAOYSA-N 1 2 388.855 3.248 20 5 GGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000119381983 1413430023 /nfs/dbraw/zinc/43/00/23/1413430023.db2.gz SEOKQPJSYUTPPE-MRXNPFEDSA-N 1 2 397.479 3.023 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)co2)cc1 ZINC000119449775 1413450971 /nfs/dbraw/zinc/45/09/71/1413450971.db2.gz LNHCVXAZHHECPO-OAHLLOKOSA-N 1 2 385.342 3.385 20 5 GGBDLO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c(C)c2)CC1 ZINC000119921104 1413617339 /nfs/dbraw/zinc/61/73/39/1413617339.db2.gz IUUOEZMLFDXWNG-UHFFFAOYSA-N 1 2 384.436 3.003 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](Cc4cccc(O)c4)CC3)co2)cc1 ZINC000119978803 1413639489 /nfs/dbraw/zinc/63/94/89/1413639489.db2.gz XETDOQGKXUFTDY-UHFFFAOYSA-N 1 2 394.431 3.273 20 5 GGBDLO CC[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000120133020 1413701035 /nfs/dbraw/zinc/70/10/35/1413701035.db2.gz HTXLNDYVUZBXLG-YJBOKZPZSA-N 1 2 385.468 3.444 20 5 GGBDLO O=C(NCCCn1cc[nH+]c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000120225757 1413739743 /nfs/dbraw/zinc/73/97/43/1413739743.db2.gz WKMGRQCWCSDXBM-UHFFFAOYSA-N 1 2 379.420 3.224 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120302822 1413775521 /nfs/dbraw/zinc/77/55/21/1413775521.db2.gz RNEWCMJOPGKHBO-GOSISDBHSA-N 1 2 398.463 3.234 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120302822 1413775531 /nfs/dbraw/zinc/77/55/31/1413775531.db2.gz RNEWCMJOPGKHBO-GOSISDBHSA-N 1 2 398.463 3.234 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000120374013 1413804576 /nfs/dbraw/zinc/80/45/76/1413804576.db2.gz YDWAAMSHFMVXJK-KRWDZBQOSA-N 1 2 379.457 3.188 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120617181 1413856696 /nfs/dbraw/zinc/85/66/96/1413856696.db2.gz JEYIWWIHGRLAAZ-UHFFFAOYSA-N 1 2 387.436 3.461 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120617181 1413856700 /nfs/dbraw/zinc/85/67/00/1413856700.db2.gz JEYIWWIHGRLAAZ-UHFFFAOYSA-N 1 2 387.436 3.461 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177481436 1428760936 /nfs/dbraw/zinc/76/09/36/1428760936.db2.gz BMVLCKMUJHLAPN-UHFFFAOYSA-N 1 2 391.468 3.213 20 5 GGBDLO Cc1nn(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121087314 1414002879 /nfs/dbraw/zinc/00/28/79/1414002879.db2.gz KANOPXFHXHKSIB-UHFFFAOYSA-N 1 2 393.447 3.059 20 5 GGBDLO Cc1nn(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121087314 1414002886 /nfs/dbraw/zinc/00/28/86/1414002886.db2.gz KANOPXFHXHKSIB-UHFFFAOYSA-N 1 2 393.447 3.059 20 5 GGBDLO Cc1nn(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121244992 1414056488 /nfs/dbraw/zinc/05/64/88/1414056488.db2.gz ILUBKCMMDIPINN-HNNXBMFYSA-N 1 2 389.456 3.152 20 5 GGBDLO Cc1nn(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121244992 1414056496 /nfs/dbraw/zinc/05/64/96/1414056496.db2.gz ILUBKCMMDIPINN-HNNXBMFYSA-N 1 2 389.456 3.152 20 5 GGBDLO Cc1nn(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121278035 1414068910 /nfs/dbraw/zinc/06/89/10/1414068910.db2.gz AOXRCKRWTHKTPY-NRFANRHFSA-N 1 2 378.432 3.384 20 5 GGBDLO Cc1nn(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121278035 1414068917 /nfs/dbraw/zinc/06/89/17/1414068917.db2.gz AOXRCKRWTHKTPY-NRFANRHFSA-N 1 2 378.432 3.384 20 5 GGBDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000121418403 1414115857 /nfs/dbraw/zinc/11/58/57/1414115857.db2.gz IJMBOSMKCKQETI-UHFFFAOYSA-N 1 2 395.843 3.093 20 5 GGBDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000121418403 1414115863 /nfs/dbraw/zinc/11/58/63/1414115863.db2.gz IJMBOSMKCKQETI-UHFFFAOYSA-N 1 2 395.843 3.093 20 5 GGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121436791 1414122510 /nfs/dbraw/zinc/12/25/10/1414122510.db2.gz SZPAQAFBXICTOB-OAHLLOKOSA-N 1 2 391.811 3.092 20 5 GGBDLO O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000121447642 1414125717 /nfs/dbraw/zinc/12/57/17/1414125717.db2.gz KUIQNRSUDIYLQG-UHFFFAOYSA-N 1 2 392.350 3.358 20 5 GGBDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)cn2c1 ZINC000122627341 1414522345 /nfs/dbraw/zinc/52/23/45/1414522345.db2.gz IRBLOELQVAZWNM-UHFFFAOYSA-N 1 2 396.432 3.299 20 5 GGBDLO Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000177833611 1428868263 /nfs/dbraw/zinc/86/82/63/1428868263.db2.gz CVPXISUESATOSO-CYBMUJFWSA-N 1 2 395.375 3.488 20 5 GGBDLO O=C(C[NH+]1CCC(OCCc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000125777592 1415278506 /nfs/dbraw/zinc/27/85/06/1415278506.db2.gz DRYOHZGAPIQRKN-UHFFFAOYSA-N 1 2 383.448 3.257 20 5 GGBDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125787253 1415280888 /nfs/dbraw/zinc/28/08/88/1415280888.db2.gz ZXFXUWJUKJYYAN-BLLLJJGKSA-N 1 2 376.434 3.086 20 5 GGBDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000125787253 1415280891 /nfs/dbraw/zinc/28/08/91/1415280891.db2.gz ZXFXUWJUKJYYAN-BLLLJJGKSA-N 1 2 376.434 3.086 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000126115330 1415361344 /nfs/dbraw/zinc/36/13/44/1415361344.db2.gz FRKJMYYLFVEHCS-UHFFFAOYSA-N 1 2 398.463 3.054 20 5 GGBDLO Cc1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126161569 1415372926 /nfs/dbraw/zinc/37/29/26/1415372926.db2.gz RRFWJAGTCNXOSR-MEDUHNTESA-N 1 2 387.396 3.040 20 5 GGBDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000126309728 1415413831 /nfs/dbraw/zinc/41/38/31/1415413831.db2.gz WIJAHSZFVQSLLL-CYBMUJFWSA-N 1 2 388.449 3.489 20 5 GGBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000126309728 1415413833 /nfs/dbraw/zinc/41/38/33/1415413833.db2.gz WIJAHSZFVQSLLL-CYBMUJFWSA-N 1 2 388.449 3.489 20 5 GGBDLO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CS(=O)(=O)CC ZINC000126374269 1415429998 /nfs/dbraw/zinc/42/99/98/1415429998.db2.gz GCLONHSQBOIAOP-AWEZNQCLSA-N 1 2 380.466 3.500 20 5 GGBDLO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CS(=O)(=O)CC ZINC000126374269 1415430000 /nfs/dbraw/zinc/43/00/00/1415430000.db2.gz GCLONHSQBOIAOP-AWEZNQCLSA-N 1 2 380.466 3.500 20 5 GGBDLO C[C@]1(O)CC[N@@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000178019283 1428939957 /nfs/dbraw/zinc/93/99/57/1428939957.db2.gz KFXXQZUTEVMYJV-HKUYNNGSSA-N 1 2 389.839 3.385 20 5 GGBDLO C[C@]1(O)CC[N@H+]([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000178019283 1428939960 /nfs/dbraw/zinc/93/99/60/1428939960.db2.gz KFXXQZUTEVMYJV-HKUYNNGSSA-N 1 2 389.839 3.385 20 5 GGBDLO COc1ccc(NC(=O)CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)c([N+](=O)[O-])c1 ZINC000126701098 1415530893 /nfs/dbraw/zinc/53/08/93/1415530893.db2.gz MZFGZOGXPONMEQ-UHFFFAOYSA-N 1 2 394.431 3.472 20 5 GGBDLO COc1ccc(NC(=O)CC[N@H+]2CCc3c4ccccc4[nH]c3C2)c([N+](=O)[O-])c1 ZINC000126701098 1415530906 /nfs/dbraw/zinc/53/09/06/1415530906.db2.gz MZFGZOGXPONMEQ-UHFFFAOYSA-N 1 2 394.431 3.472 20 5 GGBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000126709114 1415534122 /nfs/dbraw/zinc/53/41/22/1415534122.db2.gz SRYNNYRARKQKQS-UHFFFAOYSA-N 1 2 392.415 3.228 20 5 GGBDLO CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000126743596 1415545205 /nfs/dbraw/zinc/54/52/05/1415545205.db2.gz ZGQFALPOZNIZDV-UHFFFAOYSA-N 1 2 384.436 3.309 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000126875103 1415592716 /nfs/dbraw/zinc/59/27/16/1415592716.db2.gz FMEVVAFFDORTIA-IBGZPJMESA-N 1 2 390.443 3.483 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000126875103 1415592720 /nfs/dbraw/zinc/59/27/20/1415592720.db2.gz FMEVVAFFDORTIA-IBGZPJMESA-N 1 2 390.443 3.483 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000126968126 1415620492 /nfs/dbraw/zinc/62/04/92/1415620492.db2.gz AISIYPLYKHZAFH-ZWKOTPCHSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000126968126 1415620498 /nfs/dbraw/zinc/62/04/98/1415620498.db2.gz AISIYPLYKHZAFH-ZWKOTPCHSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000127040075 1415646062 /nfs/dbraw/zinc/64/60/62/1415646062.db2.gz ZDXFKBLFGMGAPP-ZWKOTPCHSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000127040075 1415646069 /nfs/dbraw/zinc/64/60/69/1415646069.db2.gz ZDXFKBLFGMGAPP-ZWKOTPCHSA-N 1 2 389.839 3.050 20 5 GGBDLO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178086812 1428975774 /nfs/dbraw/zinc/97/57/74/1428975774.db2.gz JAHHLOZAKIOPIC-FQEVSTJZSA-N 1 2 394.431 3.285 20 5 GGBDLO CN(C)c1cc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC000127554742 1415808970 /nfs/dbraw/zinc/80/89/70/1415808970.db2.gz HNDUGQOSKUTQTL-UHFFFAOYSA-N 1 2 388.449 3.287 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127652263 1415826354 /nfs/dbraw/zinc/82/63/54/1415826354.db2.gz PHBHBRFSKKECJO-UHFFFAOYSA-N 1 2 381.791 3.466 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127652263 1415826357 /nfs/dbraw/zinc/82/63/57/1415826357.db2.gz PHBHBRFSKKECJO-UHFFFAOYSA-N 1 2 381.791 3.466 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](Cc4cccc(F)c4)CC3)n2)cc1 ZINC000178162977 1429003739 /nfs/dbraw/zinc/00/37/39/1429003739.db2.gz HIPONVMKHQVCQJ-UHFFFAOYSA-N 1 2 397.410 3.102 20 5 GGBDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000178181708 1429010277 /nfs/dbraw/zinc/01/02/77/1429010277.db2.gz XCQZHGZAXIVASD-UHFFFAOYSA-N 1 2 377.307 3.166 20 5 GGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128299576 1415957304 /nfs/dbraw/zinc/95/73/04/1415957304.db2.gz NZXMQECVBSJIPD-JTQLQIEISA-N 1 2 386.330 3.095 20 5 GGBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000128364025 1415971424 /nfs/dbraw/zinc/97/14/24/1415971424.db2.gz CLXRWOWXURTRGK-UHFFFAOYSA-N 1 2 389.839 3.085 20 5 GGBDLO COc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000128629388 1416028958 /nfs/dbraw/zinc/02/89/58/1416028958.db2.gz JCKLOHNNXMPBSP-ZDUSSCGKSA-N 1 2 375.450 3.184 20 5 GGBDLO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000128684675 1416041780 /nfs/dbraw/zinc/04/17/80/1416041780.db2.gz KHEFIMYGDFWYRW-ZDUSSCGKSA-N 1 2 375.450 3.184 20 5 GGBDLO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000129867782 1416276991 /nfs/dbraw/zinc/27/69/91/1416276991.db2.gz NZUUXLVAIXTBAR-BZNIZROVSA-N 1 2 378.816 3.319 20 5 GGBDLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129993396 1416298301 /nfs/dbraw/zinc/29/83/01/1416298301.db2.gz NLIWGKUVPNPNIU-OAHLLOKOSA-N 1 2 383.448 3.445 20 5 GGBDLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129993396 1416298311 /nfs/dbraw/zinc/29/83/11/1416298311.db2.gz NLIWGKUVPNPNIU-OAHLLOKOSA-N 1 2 383.448 3.445 20 5 GGBDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129993184 1416298596 /nfs/dbraw/zinc/29/85/96/1416298596.db2.gz NLIWGKUVPNPNIU-HNNXBMFYSA-N 1 2 383.448 3.445 20 5 GGBDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129993184 1416298602 /nfs/dbraw/zinc/29/86/02/1416298602.db2.gz NLIWGKUVPNPNIU-HNNXBMFYSA-N 1 2 383.448 3.445 20 5 GGBDLO CC(=O)Nc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130876276 1416473561 /nfs/dbraw/zinc/47/35/61/1416473561.db2.gz AEZRRHVYCHDWDA-UHFFFAOYSA-N 1 2 382.420 3.156 20 5 GGBDLO CC(=O)Nc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130876276 1416473563 /nfs/dbraw/zinc/47/35/63/1416473563.db2.gz AEZRRHVYCHDWDA-UHFFFAOYSA-N 1 2 382.420 3.156 20 5 GGBDLO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130877664 1416474216 /nfs/dbraw/zinc/47/42/16/1416474216.db2.gz KFIILQAHPFNYQE-UHFFFAOYSA-N 1 2 397.431 3.293 20 5 GGBDLO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130877664 1416474223 /nfs/dbraw/zinc/47/42/23/1416474223.db2.gz KFIILQAHPFNYQE-UHFFFAOYSA-N 1 2 397.431 3.293 20 5 GGBDLO COc1cccc(CN(C)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130896816 1416477402 /nfs/dbraw/zinc/47/74/02/1416477402.db2.gz NTKYLYUMNSFSAO-UHFFFAOYSA-N 1 2 383.448 3.226 20 5 GGBDLO COc1cccc(CN(C)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130896816 1416477407 /nfs/dbraw/zinc/47/74/07/1416477407.db2.gz NTKYLYUMNSFSAO-UHFFFAOYSA-N 1 2 383.448 3.226 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)c1 ZINC000130970311 1416489301 /nfs/dbraw/zinc/48/93/01/1416489301.db2.gz WFYIXKFAXWBUNF-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)c1 ZINC000130970311 1416489305 /nfs/dbraw/zinc/48/93/05/1416489305.db2.gz WFYIXKFAXWBUNF-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO COCc1cccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130989786 1416492274 /nfs/dbraw/zinc/49/22/74/1416492274.db2.gz ALOZHHGECZHWBY-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO COCc1cccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130989786 1416492276 /nfs/dbraw/zinc/49/22/76/1416492276.db2.gz ALOZHHGECZHWBY-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000131048875 1416501040 /nfs/dbraw/zinc/50/10/40/1416501040.db2.gz IKJDAFQTBJBWFD-UHFFFAOYSA-N 1 2 396.447 3.254 20 5 GGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000131175628 1416519689 /nfs/dbraw/zinc/51/96/89/1416519689.db2.gz NCSOJKWVMSEHGG-SFHVURJKSA-N 1 2 385.420 3.060 20 5 GGBDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000131175628 1416519694 /nfs/dbraw/zinc/51/96/94/1416519694.db2.gz NCSOJKWVMSEHGG-SFHVURJKSA-N 1 2 385.420 3.060 20 5 GGBDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000131385337 1416548856 /nfs/dbraw/zinc/54/88/56/1416548856.db2.gz WHYVJZLLIDMCLK-ZWKOTPCHSA-N 1 2 385.420 3.277 20 5 GGBDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000131385337 1416548860 /nfs/dbraw/zinc/54/88/60/1416548860.db2.gz WHYVJZLLIDMCLK-ZWKOTPCHSA-N 1 2 385.420 3.277 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000131638457 1416588296 /nfs/dbraw/zinc/58/82/96/1416588296.db2.gz WMCNOMDMNAHRGH-UHFFFAOYSA-N 1 2 398.463 3.274 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000131638457 1416588298 /nfs/dbraw/zinc/58/82/98/1416588298.db2.gz WMCNOMDMNAHRGH-UHFFFAOYSA-N 1 2 398.463 3.274 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000131638959 1416588372 /nfs/dbraw/zinc/58/83/72/1416588372.db2.gz GEXGYIMQEHESNN-UHFFFAOYSA-N 1 2 398.463 3.274 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000131638959 1416588374 /nfs/dbraw/zinc/58/83/74/1416588374.db2.gz GEXGYIMQEHESNN-UHFFFAOYSA-N 1 2 398.463 3.274 20 5 GGBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000132110344 1416698503 /nfs/dbraw/zinc/69/85/03/1416698503.db2.gz ACXLJGBTLKIIOH-OAHLLOKOSA-N 1 2 381.310 3.302 20 5 GGBDLO CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000132459895 1416765318 /nfs/dbraw/zinc/76/53/18/1416765318.db2.gz MOSYDFSOFBAYRC-ROUUACIJSA-N 1 2 384.436 3.200 20 5 GGBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000132617859 1416794487 /nfs/dbraw/zinc/79/44/87/1416794487.db2.gz RFRMRPHLUXQNMM-UHFFFAOYSA-N 1 2 387.342 3.096 20 5 GGBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000133389737 1416885091 /nfs/dbraw/zinc/88/50/91/1416885091.db2.gz WLQDBOINFVLLLW-LJQANCHMSA-N 1 2 385.489 3.044 20 5 GGBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000133389478 1416885171 /nfs/dbraw/zinc/88/51/71/1416885171.db2.gz WLQDBOINFVLLLW-IBGZPJMESA-N 1 2 385.489 3.044 20 5 GGBDLO CCc1ccc([C@H]2COCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000133673065 1416937003 /nfs/dbraw/zinc/93/70/03/1416937003.db2.gz XAEOZWFNAHDUGR-GOSISDBHSA-N 1 2 396.403 3.150 20 5 GGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133839292 1416974536 /nfs/dbraw/zinc/97/45/36/1416974536.db2.gz REMAIEFTNNICAX-GOSISDBHSA-N 1 2 389.839 3.396 20 5 GGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133839292 1416974557 /nfs/dbraw/zinc/97/45/57/1416974557.db2.gz REMAIEFTNNICAX-GOSISDBHSA-N 1 2 389.839 3.396 20 5 GGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133839123 1416974713 /nfs/dbraw/zinc/97/47/13/1416974713.db2.gz REMAIEFTNNICAX-SFHVURJKSA-N 1 2 389.839 3.396 20 5 GGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133839123 1416974721 /nfs/dbraw/zinc/97/47/21/1416974721.db2.gz REMAIEFTNNICAX-SFHVURJKSA-N 1 2 389.839 3.396 20 5 GGBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000134015585 1417010339 /nfs/dbraw/zinc/01/03/39/1417010339.db2.gz WUIFCOKRMCCZOP-UHFFFAOYSA-N 1 2 387.411 3.091 20 5 GGBDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000134015585 1417010342 /nfs/dbraw/zinc/01/03/42/1417010342.db2.gz WUIFCOKRMCCZOP-UHFFFAOYSA-N 1 2 387.411 3.091 20 5 GGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCCNc1cccc[nH+]1 ZINC000136176445 1417298689 /nfs/dbraw/zinc/29/86/89/1417298689.db2.gz CYBULMCKAQDELB-UHFFFAOYSA-N 1 2 378.816 3.031 20 5 GGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000137250994 1417377337 /nfs/dbraw/zinc/37/73/37/1417377337.db2.gz BCIGGDIBCSXHAX-UHFFFAOYSA-N 1 2 392.350 3.358 20 5 GGBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000142961724 1417604900 /nfs/dbraw/zinc/60/49/00/1417604900.db2.gz BROUPVUELKWTFS-UHFFFAOYSA-N 1 2 396.447 3.254 20 5 GGBDLO O=[N+]([O-])c1cc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)ccc1Cl ZINC000178867475 1429202621 /nfs/dbraw/zinc/20/26/21/1429202621.db2.gz UVLNXVKCNSQSGD-UHFFFAOYSA-N 1 2 376.844 3.464 20 5 GGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000152014792 1418121131 /nfs/dbraw/zinc/12/11/31/1418121131.db2.gz ODWKREYZDHNYOH-UHFFFAOYSA-N 1 2 383.404 3.251 20 5 GGBDLO Cc1cc(N2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000152140538 1418156229 /nfs/dbraw/zinc/15/62/29/1418156229.db2.gz DGABPMDZOONVBZ-UHFFFAOYSA-N 1 2 397.479 3.098 20 5 GGBDLO C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000179316094 1429325973 /nfs/dbraw/zinc/32/59/73/1429325973.db2.gz DZZRRXJSIKNXBS-UHFFFAOYSA-N 1 2 383.448 3.132 20 5 GGBDLO C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000179316094 1429325984 /nfs/dbraw/zinc/32/59/84/1429325984.db2.gz DZZRRXJSIKNXBS-UHFFFAOYSA-N 1 2 383.448 3.132 20 5 GGBDLO O=C(Nc1cccnc1OCC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179438826 1429376386 /nfs/dbraw/zinc/37/63/86/1429376386.db2.gz VKXWNTXQQDPDLM-UHFFFAOYSA-N 1 2 389.318 3.072 20 5 GGBDLO CCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000179641151 1429485636 /nfs/dbraw/zinc/48/56/36/1429485636.db2.gz BWRDMURFQVGGIC-AWEZNQCLSA-N 1 2 378.450 3.254 20 5 GGBDLO CCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000179641151 1429485639 /nfs/dbraw/zinc/48/56/39/1429485639.db2.gz BWRDMURFQVGGIC-AWEZNQCLSA-N 1 2 378.450 3.254 20 5 GGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000152332942 1422075088 /nfs/dbraw/zinc/07/50/88/1422075088.db2.gz BSZWBMRAQSFJKO-LBPRGKRZSA-N 1 2 377.832 3.468 20 5 GGBDLO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000179729422 1429526375 /nfs/dbraw/zinc/52/63/75/1429526375.db2.gz JLYDPUDJSBEKPR-KRWDZBQOSA-N 1 2 389.427 3.442 20 5 GGBDLO COc1cccc(OCC[NH+]2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000152653786 1422190241 /nfs/dbraw/zinc/19/02/41/1422190241.db2.gz UKKHHEMRIOOOCE-UHFFFAOYSA-N 1 2 399.447 3.007 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCN(c4cccc(O)c4)CC3)co2)cc1 ZINC000152945297 1422304437 /nfs/dbraw/zinc/30/44/37/1422304437.db2.gz OSBPKZHNNNKNPB-UHFFFAOYSA-N 1 2 380.404 3.278 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153215276 1422396114 /nfs/dbraw/zinc/39/61/14/1422396114.db2.gz MAGCMQVDEURSFU-UHFFFAOYSA-N 1 2 395.463 3.248 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC)c1 ZINC000153262597 1422425764 /nfs/dbraw/zinc/42/57/64/1422425764.db2.gz IYELDZMFEGMGKU-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC)c1 ZINC000153262597 1422425765 /nfs/dbraw/zinc/42/57/65/1422425765.db2.gz IYELDZMFEGMGKU-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000153332475 1422474452 /nfs/dbraw/zinc/47/44/52/1422474452.db2.gz AEVSHZLYNGONBN-UHFFFAOYSA-N 1 2 397.431 3.359 20 5 GGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000153332475 1422474456 /nfs/dbraw/zinc/47/44/56/1422474456.db2.gz AEVSHZLYNGONBN-UHFFFAOYSA-N 1 2 397.431 3.359 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000153350543 1422485099 /nfs/dbraw/zinc/48/50/99/1422485099.db2.gz NOAVWBDTKTYEIE-QZTJIDSGSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000153350543 1422485108 /nfs/dbraw/zinc/48/51/08/1422485108.db2.gz NOAVWBDTKTYEIE-QZTJIDSGSA-N 1 2 389.839 3.050 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000153367560 1422499885 /nfs/dbraw/zinc/49/98/85/1422499885.db2.gz SVCQGKKRFDEUIN-UHFFFAOYSA-N 1 2 396.491 3.379 20 5 GGBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)c1 ZINC000153469095 1422554274 /nfs/dbraw/zinc/55/42/74/1422554274.db2.gz LILWZEYXDUPNNB-GOSISDBHSA-N 1 2 379.819 3.243 20 5 GGBDLO Cc1cccn2cc(CCNC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)[nH+]c12 ZINC000153631106 1422660528 /nfs/dbraw/zinc/66/05/28/1422660528.db2.gz AFBNPHBPSCEORL-UHFFFAOYSA-N 1 2 393.447 3.468 20 5 GGBDLO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153766110 1422744617 /nfs/dbraw/zinc/74/46/17/1422744617.db2.gz YZYWCWJQTJDRCI-INIZCTEOSA-N 1 2 393.447 3.470 20 5 GGBDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153785518 1422757098 /nfs/dbraw/zinc/75/70/98/1422757098.db2.gz AOGKWWSQBZWCCH-UHFFFAOYSA-N 1 2 384.436 3.262 20 5 GGBDLO C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000153822167 1422779877 /nfs/dbraw/zinc/77/98/77/1422779877.db2.gz YAVSASCHQASRTO-APWZRJJASA-N 1 2 385.468 3.407 20 5 GGBDLO COc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000154358763 1422877944 /nfs/dbraw/zinc/87/79/44/1422877944.db2.gz QURIAGCOVQIADS-HUUCEWRRSA-N 1 2 399.447 3.465 20 5 GGBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000154786946 1423032425 /nfs/dbraw/zinc/03/24/25/1423032425.db2.gz TZHCMFLJLPIIJL-IRXDYDNUSA-N 1 2 399.495 3.436 20 5 GGBDLO O=C(NCC1([C@H](O)c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000155411672 1423352521 /nfs/dbraw/zinc/35/25/21/1423352521.db2.gz OWYXBGDACZQLQK-LJQANCHMSA-N 1 2 392.415 3.024 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)nc1 ZINC000155563796 1423421024 /nfs/dbraw/zinc/42/10/24/1423421024.db2.gz QHUBUFXGMJGTOG-CQSZACIVSA-N 1 2 382.449 3.195 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)nc1 ZINC000155563796 1423421031 /nfs/dbraw/zinc/42/10/31/1423421031.db2.gz QHUBUFXGMJGTOG-CQSZACIVSA-N 1 2 382.449 3.195 20 5 GGBDLO COc1cc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(OC)c1 ZINC000155710011 1423498944 /nfs/dbraw/zinc/49/89/44/1423498944.db2.gz LQKMAQHPRYGHHB-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO COc1cc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(OC)c1 ZINC000155710011 1423498950 /nfs/dbraw/zinc/49/89/50/1423498950.db2.gz LQKMAQHPRYGHHB-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000155757725 1423520212 /nfs/dbraw/zinc/52/02/12/1423520212.db2.gz HXYFFZLSMDIALZ-FZKQIMNGSA-N 1 2 398.444 3.444 20 5 GGBDLO C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000156123835 1423683547 /nfs/dbraw/zinc/68/35/47/1423683547.db2.gz VVRNJYFZHCPVMK-CQSZACIVSA-N 1 2 380.404 3.237 20 5 GGBDLO Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)[nH+]c12 ZINC000156805488 1423867669 /nfs/dbraw/zinc/86/76/69/1423867669.db2.gz YKPDAYYPEOQGDJ-UHFFFAOYSA-N 1 2 375.388 3.072 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](C3CC3)[C@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000157006268 1423901080 /nfs/dbraw/zinc/90/10/80/1423901080.db2.gz WKGGLCGGLDXJKR-INIZCTEOSA-N 1 2 392.502 3.475 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](C3CC3)[C@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000157006268 1423901087 /nfs/dbraw/zinc/90/10/87/1423901087.db2.gz WKGGLCGGLDXJKR-INIZCTEOSA-N 1 2 392.502 3.475 20 5 GGBDLO CCOC(=O)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000158069986 1424156284 /nfs/dbraw/zinc/15/62/84/1424156284.db2.gz OFUQVALMQJOYFX-UHFFFAOYSA-N 1 2 375.450 3.493 20 5 GGBDLO O=C(C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000158121307 1424171996 /nfs/dbraw/zinc/17/19/96/1424171996.db2.gz QJXCEHRJRNLGHB-UHFFFAOYSA-N 1 2 398.246 3.335 20 5 GGBDLO O=C(C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000158121307 1424172002 /nfs/dbraw/zinc/17/20/02/1424172002.db2.gz QJXCEHRJRNLGHB-UHFFFAOYSA-N 1 2 398.246 3.335 20 5 GGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000158323929 1424225846 /nfs/dbraw/zinc/22/58/46/1424225846.db2.gz YDPAISZMXCCUKR-LBPRGKRZSA-N 1 2 385.449 3.052 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000159004466 1424392918 /nfs/dbraw/zinc/39/29/18/1424392918.db2.gz BELVEIYUHSSXNC-UHFFFAOYSA-N 1 2 379.781 3.202 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000159012671 1424395074 /nfs/dbraw/zinc/39/50/74/1424395074.db2.gz ASBPBMXUQKRFEV-UHFFFAOYSA-N 1 2 379.781 3.202 20 5 GGBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000159890537 1424549091 /nfs/dbraw/zinc/54/90/91/1424549091.db2.gz CIMYYUAABDCIPB-UHFFFAOYSA-N 1 2 383.452 3.022 20 5 GGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000160330864 1424596074 /nfs/dbraw/zinc/59/60/74/1424596074.db2.gz UKALCZOWDUTYGS-UHFFFAOYSA-N 1 2 395.525 3.184 20 5 GGBDLO C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000160797614 1424635342 /nfs/dbraw/zinc/63/53/42/1424635342.db2.gz YIZXKKQWXCRRCL-LBPRGKRZSA-N 1 2 384.417 3.233 20 5 GGBDLO C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000161200348 1424666496 /nfs/dbraw/zinc/66/64/96/1424666496.db2.gz OUMGCMLXAIJAJR-CYBMUJFWSA-N 1 2 396.378 3.311 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000161712683 1424748408 /nfs/dbraw/zinc/74/84/08/1424748408.db2.gz IGBPYRVTTOVWNL-UHFFFAOYSA-N 1 2 376.800 3.041 20 5 GGBDLO COCc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000161964392 1424803732 /nfs/dbraw/zinc/80/37/32/1424803732.db2.gz HGXUCGCWGZHLLA-QGZVFWFLSA-N 1 2 396.403 3.497 20 5 GGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000180142254 1429756382 /nfs/dbraw/zinc/75/63/82/1429756382.db2.gz JSTILOGKUDKBAE-KRWDZBQOSA-N 1 2 395.525 3.182 20 5 GGBDLO Cc1ccc([C@H](C)NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1[N+](=O)[O-] ZINC000162413604 1424848250 /nfs/dbraw/zinc/84/82/50/1424848250.db2.gz UXKQDHJDDZKCPW-AWEZNQCLSA-N 1 2 399.451 3.326 20 5 GGBDLO Cc1cc(C(=O)NC2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)c(C)o1 ZINC000171045307 1425453610 /nfs/dbraw/zinc/45/36/10/1425453610.db2.gz FFULUEMPBFHWBT-UHFFFAOYSA-N 1 2 397.435 3.006 20 5 GGBDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2C1 ZINC000171346000 1425628813 /nfs/dbraw/zinc/62/88/13/1425628813.db2.gz FXEVNQULLMWYEM-UHFFFAOYSA-N 1 2 375.450 3.430 20 5 GGBDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2C1 ZINC000171346000 1425628818 /nfs/dbraw/zinc/62/88/18/1425628818.db2.gz FXEVNQULLMWYEM-UHFFFAOYSA-N 1 2 375.450 3.430 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000171434197 1425676997 /nfs/dbraw/zinc/67/69/97/1425676997.db2.gz VCUWDQRXHNBHFS-INIZCTEOSA-N 1 2 398.463 3.192 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)c1 ZINC000171586002 1425746128 /nfs/dbraw/zinc/74/61/28/1425746128.db2.gz NVWAKOQMMWUVDO-INIZCTEOSA-N 1 2 383.448 3.431 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000171590125 1425750890 /nfs/dbraw/zinc/75/08/90/1425750890.db2.gz YMPBHLBZZUYPFY-MRXNPFEDSA-N 1 2 383.448 3.051 20 5 GGBDLO COc1cc(CCNc2cc(N3CCCCC3)nc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000171684007 1425788452 /nfs/dbraw/zinc/78/84/52/1425788452.db2.gz WKFKDFRRMRQABE-UHFFFAOYSA-N 1 2 387.440 3.047 20 5 GGBDLO COc1cc(CCNc2cc(N3CCCCC3)[nH+]cn2)c([N+](=O)[O-])cc1OC ZINC000171684007 1425788457 /nfs/dbraw/zinc/78/84/57/1425788457.db2.gz WKFKDFRRMRQABE-UHFFFAOYSA-N 1 2 387.440 3.047 20 5 GGBDLO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000171923808 1425853824 /nfs/dbraw/zinc/85/38/24/1425853824.db2.gz GAUCWZWLNSIKNW-MRXNPFEDSA-N 1 2 389.839 3.494 20 5 GGBDLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000171923808 1425853828 /nfs/dbraw/zinc/85/38/28/1425853828.db2.gz GAUCWZWLNSIKNW-MRXNPFEDSA-N 1 2 389.839 3.494 20 5 GGBDLO Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172259200 1425971706 /nfs/dbraw/zinc/97/17/06/1425971706.db2.gz KBOOKXQKJKRHOK-MUUNZHRXSA-N 1 2 398.444 3.220 20 5 GGBDLO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172460588 1426049568 /nfs/dbraw/zinc/04/95/68/1426049568.db2.gz KHSGTIXLBZSHKU-KRWDZBQOSA-N 1 2 394.387 3.201 20 5 GGBDLO O=[N+]([O-])c1ccc(CCCCNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000172614772 1426114496 /nfs/dbraw/zinc/11/44/96/1426114496.db2.gz WYNKAUYRIWZCEU-KRWDZBQOSA-N 1 2 385.468 3.028 20 5 GGBDLO O=[N+]([O-])c1ccc(CCCCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000172614772 1426114505 /nfs/dbraw/zinc/11/45/05/1426114505.db2.gz WYNKAUYRIWZCEU-KRWDZBQOSA-N 1 2 385.468 3.028 20 5 GGBDLO CCc1ccc([C@@H](COC)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000172699962 1426150252 /nfs/dbraw/zinc/15/02/52/1426150252.db2.gz YBENMRPJYBLIGA-OAHLLOKOSA-N 1 2 384.392 3.053 20 5 GGBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000172742841 1426169890 /nfs/dbraw/zinc/16/98/90/1426169890.db2.gz NIMNMWSKURAOQO-CYBMUJFWSA-N 1 2 384.367 3.117 20 5 GGBDLO COc1cc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1C ZINC000172774530 1426181949 /nfs/dbraw/zinc/18/19/49/1426181949.db2.gz IPYZJTRLQWFVAS-UHFFFAOYSA-N 1 2 380.404 3.070 20 5 GGBDLO COCCCOC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000172914249 1426259184 /nfs/dbraw/zinc/25/91/84/1426259184.db2.gz WXONWXAFVSKEIY-UHFFFAOYSA-N 1 2 381.454 3.347 20 5 GGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000173435099 1426616275 /nfs/dbraw/zinc/61/62/75/1426616275.db2.gz FVRDMOJBBPRRIP-UHFFFAOYSA-N 1 2 397.391 3.354 20 5 GGBDLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1c1ccccc1 ZINC000173457824 1426633813 /nfs/dbraw/zinc/63/38/13/1426633813.db2.gz GSGUSBJMLBYIKQ-YMTYPPQLSA-N 1 2 394.431 3.012 20 5 GGBDLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1c1ccccc1 ZINC000173457824 1426633821 /nfs/dbraw/zinc/63/38/21/1426633821.db2.gz GSGUSBJMLBYIKQ-YMTYPPQLSA-N 1 2 394.431 3.012 20 5 GGBDLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464212 1426639046 /nfs/dbraw/zinc/63/90/46/1426639046.db2.gz MOWMTAYJMMIMCK-CQSZACIVSA-N 1 2 389.843 3.077 20 5 GGBDLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464212 1426639052 /nfs/dbraw/zinc/63/90/52/1426639052.db2.gz MOWMTAYJMMIMCK-CQSZACIVSA-N 1 2 389.843 3.077 20 5 GGBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173761485 1426843111 /nfs/dbraw/zinc/84/31/11/1426843111.db2.gz XGLDRAIIQFJNCS-UHFFFAOYSA-N 1 2 399.394 3.463 20 5 GGBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173761485 1426843112 /nfs/dbraw/zinc/84/31/12/1426843112.db2.gz XGLDRAIIQFJNCS-UHFFFAOYSA-N 1 2 399.394 3.463 20 5 GGBDLO Nc1nc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12 ZINC000173799196 1426854349 /nfs/dbraw/zinc/85/43/49/1426854349.db2.gz ALIDOBCBVSCSLD-UHFFFAOYSA-N 1 2 379.420 3.164 20 5 GGBDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000173998881 1426934341 /nfs/dbraw/zinc/93/43/41/1426934341.db2.gz GUAOGXNFMGQPRL-OAHLLOKOSA-N 1 2 390.509 3.467 20 5 GGBDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000173998869 1426934663 /nfs/dbraw/zinc/93/46/63/1426934663.db2.gz GUAOGXNFMGQPRL-HNNXBMFYSA-N 1 2 390.509 3.467 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000174181157 1427035701 /nfs/dbraw/zinc/03/57/01/1427035701.db2.gz FIFQYVQMGVHGDU-UHFFFAOYSA-N 1 2 383.452 3.451 20 5 GGBDLO COc1cc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000174196542 1427044851 /nfs/dbraw/zinc/04/48/51/1427044851.db2.gz ATVUEEYJCLLUQL-UHFFFAOYSA-N 1 2 398.463 3.068 20 5 GGBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000174495213 1427182006 /nfs/dbraw/zinc/18/20/06/1427182006.db2.gz UMXOKDZCMSSXIY-GOSISDBHSA-N 1 2 384.367 3.037 20 5 GGBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1O ZINC000174626749 1427272629 /nfs/dbraw/zinc/27/26/29/1427272629.db2.gz YAPOUYDACHGFPX-NSHDSACASA-N 1 2 393.827 3.421 20 5 GGBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1O ZINC000174626749 1427272638 /nfs/dbraw/zinc/27/26/38/1427272638.db2.gz YAPOUYDACHGFPX-NSHDSACASA-N 1 2 393.827 3.421 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000174899687 1427435379 /nfs/dbraw/zinc/43/53/79/1427435379.db2.gz QNQZFNZNYFNEQF-UHFFFAOYSA-N 1 2 398.463 3.377 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000174906023 1427438711 /nfs/dbraw/zinc/43/87/11/1427438711.db2.gz SUQNWJLYBPXLNV-UHFFFAOYSA-N 1 2 397.479 3.167 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000174913118 1427443531 /nfs/dbraw/zinc/44/35/31/1427443531.db2.gz LSIFGVSVTAILHA-UHFFFAOYSA-N 1 2 398.463 3.134 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000175035690 1427512022 /nfs/dbraw/zinc/51/20/22/1427512022.db2.gz REFVTXRZWVVDGO-UHFFFAOYSA-N 1 2 396.447 3.474 20 5 GGBDLO CC(C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000175252442 1427626564 /nfs/dbraw/zinc/62/65/64/1427626564.db2.gz VRMPVXSPZMJPIU-KRWDZBQOSA-N 1 2 379.420 3.345 20 5 GGBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175794956 1427896136 /nfs/dbraw/zinc/89/61/36/1427896136.db2.gz VYPWNNHQRJPTBZ-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO O=C(C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000175953905 1427994938 /nfs/dbraw/zinc/99/49/38/1427994938.db2.gz JHAALUTVESCCJX-GOSISDBHSA-N 1 2 383.448 3.257 20 5 GGBDLO O=C(C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000175953905 1427994946 /nfs/dbraw/zinc/99/49/46/1427994946.db2.gz JHAALUTVESCCJX-GOSISDBHSA-N 1 2 383.448 3.257 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000175976133 1428008266 /nfs/dbraw/zinc/00/82/66/1428008266.db2.gz VUWQAMFNHZWERK-UHFFFAOYSA-N 1 2 397.479 3.129 20 5 GGBDLO O=C(NC1CCN(c2cccs2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176260142 1428203564 /nfs/dbraw/zinc/20/35/64/1428203564.db2.gz HDDIXHHQXFCNSB-UHFFFAOYSA-N 1 2 397.460 3.241 20 5 GGBDLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000180423400 1429865012 /nfs/dbraw/zinc/86/50/12/1429865012.db2.gz QYHJYOGLKXQWCS-LBPRGKRZSA-N 1 2 389.433 3.380 20 5 GGBDLO C[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180453855 1429872848 /nfs/dbraw/zinc/87/28/48/1429872848.db2.gz RACWTQUVKHFEFJ-NSHDSACASA-N 1 2 390.350 3.023 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000180713584 1429994524 /nfs/dbraw/zinc/99/45/24/1429994524.db2.gz NXARQTHZLZFIOA-UHFFFAOYSA-N 1 2 375.450 3.428 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000180713584 1429994530 /nfs/dbraw/zinc/99/45/30/1429994530.db2.gz NXARQTHZLZFIOA-UHFFFAOYSA-N 1 2 375.450 3.428 20 5 GGBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c1C ZINC000180797510 1430046073 /nfs/dbraw/zinc/04/60/73/1430046073.db2.gz HUTAQNVYVJHYJR-UHFFFAOYSA-N 1 2 389.355 3.364 20 5 GGBDLO CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000180852593 1430070654 /nfs/dbraw/zinc/07/06/54/1430070654.db2.gz RMOGGNQRRRVLND-QFBILLFUSA-N 1 2 386.452 3.494 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000181883207 1430377161 /nfs/dbraw/zinc/37/71/61/1430377161.db2.gz TWPNDHTXANXSTJ-UHFFFAOYSA-N 1 2 392.452 3.215 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000181883207 1430377163 /nfs/dbraw/zinc/37/71/63/1430377163.db2.gz TWPNDHTXANXSTJ-UHFFFAOYSA-N 1 2 392.452 3.215 20 5 GGBDLO COc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182200182 1430428753 /nfs/dbraw/zinc/42/87/53/1430428753.db2.gz FMHVYZALNXDCQE-LJQANCHMSA-N 1 2 390.461 3.214 20 5 GGBDLO COc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182200182 1430428754 /nfs/dbraw/zinc/42/87/54/1430428754.db2.gz FMHVYZALNXDCQE-LJQANCHMSA-N 1 2 390.461 3.214 20 5 GGBDLO COc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182203476 1430429511 /nfs/dbraw/zinc/42/95/11/1430429511.db2.gz YZANRKOHUREDPF-CQSZACIVSA-N 1 2 378.450 3.070 20 5 GGBDLO COc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182203476 1430429512 /nfs/dbraw/zinc/42/95/12/1430429512.db2.gz YZANRKOHUREDPF-CQSZACIVSA-N 1 2 378.450 3.070 20 5 GGBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000182397951 1430459854 /nfs/dbraw/zinc/45/98/54/1430459854.db2.gz MPMMKICJZRPIRT-SMDDNHRTSA-N 1 2 380.351 3.116 20 5 GGBDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000182544331 1430487772 /nfs/dbraw/zinc/48/77/72/1430487772.db2.gz FBFWKGWDODQERD-LBPRGKRZSA-N 1 2 381.392 3.454 20 5 GGBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000182547108 1430488180 /nfs/dbraw/zinc/48/81/80/1430488180.db2.gz IRUHKXLGVRFKDW-GFCCVEGCSA-N 1 2 381.392 3.454 20 5 GGBDLO C[C@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183222756 1430651681 /nfs/dbraw/zinc/65/16/81/1430651681.db2.gz OBXSSAAKWCCXJT-AWEZNQCLSA-N 1 2 387.411 3.308 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184161314 1430849157 /nfs/dbraw/zinc/84/91/57/1430849157.db2.gz JJGMVTDTIDSEBI-KRWDZBQOSA-N 1 2 375.425 3.438 20 5 GGBDLO CC(C)COC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000184187571 1430853344 /nfs/dbraw/zinc/85/33/44/1430853344.db2.gz LVLAYICAXCHCOP-KRWDZBQOSA-N 1 2 387.436 3.080 20 5 GGBDLO CC(C)COC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccco1 ZINC000184207969 1430856753 /nfs/dbraw/zinc/85/67/53/1430856753.db2.gz VJJXPAHIYGWLHA-ZWKOTPCHSA-N 1 2 387.436 3.297 20 5 GGBDLO COc1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184240981 1430861036 /nfs/dbraw/zinc/86/10/36/1430861036.db2.gz VGGPVONNYWEUSJ-UHFFFAOYSA-N 1 2 383.420 3.232 20 5 GGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184443609 1430888388 /nfs/dbraw/zinc/88/83/88/1430888388.db2.gz VVWBQIAMCFHUKA-UHFFFAOYSA-N 1 2 399.838 3.492 20 5 GGBDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000184479803 1430892509 /nfs/dbraw/zinc/89/25/09/1430892509.db2.gz SVVRVAIYISEFNE-CQSZACIVSA-N 1 2 388.424 3.199 20 5 GGBDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000184479803 1430892512 /nfs/dbraw/zinc/89/25/12/1430892512.db2.gz SVVRVAIYISEFNE-CQSZACIVSA-N 1 2 388.424 3.199 20 5 GGBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2csc(CC)n2)c([N+](=O)[O-])c1 ZINC000184738335 1430959973 /nfs/dbraw/zinc/95/99/73/1430959973.db2.gz JWBHHXYCDUMNMO-LLVKDONJSA-N 1 2 378.454 3.302 20 5 GGBDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)o1 ZINC000184752553 1430966249 /nfs/dbraw/zinc/96/62/49/1430966249.db2.gz LYCLHZXWYWQVNX-XHDPSFHLSA-N 1 2 381.816 3.454 20 5 GGBDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000184832614 1430995696 /nfs/dbraw/zinc/99/56/96/1430995696.db2.gz PLGSFTPJYBDESX-BBRMVZONSA-N 1 2 375.425 3.363 20 5 GGBDLO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ncc(-c2ccccc2)o1 ZINC000184859644 1431005169 /nfs/dbraw/zinc/00/51/69/1431005169.db2.gz OVQDZIURFLJUFI-CQSZACIVSA-N 1 2 392.415 3.490 20 5 GGBDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000184861803 1431005579 /nfs/dbraw/zinc/00/55/79/1431005579.db2.gz OECWIKHRSQQMTK-LRDDRELGSA-N 1 2 391.424 3.063 20 5 GGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2cccs2)CC1 ZINC000185147284 1431072337 /nfs/dbraw/zinc/07/23/37/1431072337.db2.gz HFDQGTIGQNRNGE-UHFFFAOYSA-N 1 2 395.481 3.232 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185204733 1431084578 /nfs/dbraw/zinc/08/45/78/1431084578.db2.gz ZBUGIDJBEILGJA-LBPRGKRZSA-N 1 2 375.429 3.263 20 5 GGBDLO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000185215059 1431086526 /nfs/dbraw/zinc/08/65/26/1431086526.db2.gz VYIIHIUQZBZFPM-CZUORRHYSA-N 1 2 390.440 3.116 20 5 GGBDLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185411873 1431139096 /nfs/dbraw/zinc/13/90/96/1431139096.db2.gz HRVCJFPLDNCODJ-YJYMSZOUSA-N 1 2 397.410 3.174 20 5 GGBDLO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185447625 1431148079 /nfs/dbraw/zinc/14/80/79/1431148079.db2.gz BEWWUIOULCQAMR-ORAYPTAESA-N 1 2 397.410 3.174 20 5 GGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2cccc(F)c2O1 ZINC000185628723 1431188628 /nfs/dbraw/zinc/18/86/28/1431188628.db2.gz YTPFEAUUAINRBS-GFCCVEGCSA-N 1 2 382.351 3.347 20 5 GGBDLO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185946878 1431290609 /nfs/dbraw/zinc/29/06/09/1431290609.db2.gz FBJISHHCERHDNG-UHFFFAOYSA-N 1 2 384.436 3.074 20 5 GGBDLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000186301324 1431376103 /nfs/dbraw/zinc/37/61/03/1431376103.db2.gz AEVVSUJWZKTKBO-CYBMUJFWSA-N 1 2 395.506 3.389 20 5 GGBDLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000186301324 1431376105 /nfs/dbraw/zinc/37/61/05/1431376105.db2.gz AEVVSUJWZKTKBO-CYBMUJFWSA-N 1 2 395.506 3.389 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186824829 1431529282 /nfs/dbraw/zinc/52/92/82/1431529282.db2.gz JSQQHXYVLSBQNQ-LBPRGKRZSA-N 1 2 399.900 3.173 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186824829 1431529292 /nfs/dbraw/zinc/52/92/92/1431529292.db2.gz JSQQHXYVLSBQNQ-LBPRGKRZSA-N 1 2 399.900 3.173 20 5 GGBDLO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000186869927 1431547738 /nfs/dbraw/zinc/54/77/38/1431547738.db2.gz JWUUBQQZSKJRTG-WBVHZDCISA-N 1 2 383.448 3.426 20 5 GGBDLO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000186869927 1431547745 /nfs/dbraw/zinc/54/77/45/1431547745.db2.gz JWUUBQQZSKJRTG-WBVHZDCISA-N 1 2 383.448 3.426 20 5 GGBDLO O=C(C[NH+]1CCC(c2ccsc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000186930885 1431568885 /nfs/dbraw/zinc/56/88/85/1431568885.db2.gz DJSSZAOHMWOQQS-UHFFFAOYSA-N 1 2 389.433 3.203 20 5 GGBDLO COC(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000188105464 1431847252 /nfs/dbraw/zinc/84/72/52/1431847252.db2.gz NYHATMAHQRFMKY-LRDDRELGSA-N 1 2 375.450 3.349 20 5 GGBDLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000188105464 1431847253 /nfs/dbraw/zinc/84/72/53/1431847253.db2.gz NYHATMAHQRFMKY-LRDDRELGSA-N 1 2 375.450 3.349 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191392992 1432650564 /nfs/dbraw/zinc/65/05/64/1432650564.db2.gz KYLASYHNZVEBNU-UHFFFAOYSA-N 1 2 395.459 3.342 20 5 GGBDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000191451249 1432664404 /nfs/dbraw/zinc/66/44/04/1432664404.db2.gz UZOJZVSPQWERPO-HOTGVXAUSA-N 1 2 391.449 3.099 20 5 GGBDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000191451249 1432664411 /nfs/dbraw/zinc/66/44/11/1432664411.db2.gz UZOJZVSPQWERPO-HOTGVXAUSA-N 1 2 391.449 3.099 20 5 GGBDLO COc1cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000191701646 1432709773 /nfs/dbraw/zinc/70/97/73/1432709773.db2.gz SMKWZZHNLDLBDZ-UHFFFAOYSA-N 1 2 394.431 3.129 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000191902559 1432751555 /nfs/dbraw/zinc/75/15/55/1432751555.db2.gz YPPDUYMIDYNAFK-UHFFFAOYSA-N 1 2 393.465 3.053 20 5 GGBDLO Cc1cc(C)c(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000191916355 1432755370 /nfs/dbraw/zinc/75/53/70/1432755370.db2.gz QTCCOWCNNVHAMK-UHFFFAOYSA-N 1 2 389.355 3.364 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000192250028 1432822546 /nfs/dbraw/zinc/82/25/46/1432822546.db2.gz CLFVFQILKLRQRS-UHFFFAOYSA-N 1 2 381.436 3.454 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000192251693 1432822875 /nfs/dbraw/zinc/82/28/75/1432822875.db2.gz QSICFRUKZFTYNC-UHFFFAOYSA-N 1 2 385.468 3.480 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000192388879 1432840443 /nfs/dbraw/zinc/84/04/43/1432840443.db2.gz JFZFVIFZWDUFCF-UHFFFAOYSA-N 1 2 389.412 3.123 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(OC)c3[N+](=O)[O-])CC2)c1 ZINC000192523259 1432854624 /nfs/dbraw/zinc/85/46/24/1432854624.db2.gz OUUHDUKXRUETCF-HNNXBMFYSA-N 1 2 399.447 3.131 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000192575399 1432862035 /nfs/dbraw/zinc/86/20/35/1432862035.db2.gz ZRHOGNDBUZTCRF-HUUCEWRRSA-N 1 2 385.420 3.002 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000192575399 1432862036 /nfs/dbraw/zinc/86/20/36/1432862036.db2.gz ZRHOGNDBUZTCRF-HUUCEWRRSA-N 1 2 385.420 3.002 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000192743562 1432883566 /nfs/dbraw/zinc/88/35/66/1432883566.db2.gz QOOFXIPEHPJZRH-UHFFFAOYSA-N 1 2 380.452 3.122 20 5 GGBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000192830938 1432896272 /nfs/dbraw/zinc/89/62/72/1432896272.db2.gz HBRHCFLQNLRFOY-UHFFFAOYSA-N 1 2 389.481 3.356 20 5 GGBDLO CC(C)CCOC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000193358892 1432985249 /nfs/dbraw/zinc/98/52/49/1432985249.db2.gz UYFPAWCECVUVQD-UHFFFAOYSA-N 1 2 386.452 3.448 20 5 GGBDLO Cc1cc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000193579674 1433023026 /nfs/dbraw/zinc/02/30/26/1433023026.db2.gz UAXKQXOIXDKLAN-UHFFFAOYSA-N 1 2 398.467 3.479 20 5 GGBDLO C=Cn1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC000193618301 1433029797 /nfs/dbraw/zinc/02/97/97/1433029797.db2.gz LYDUWBTYDLMDRJ-UHFFFAOYSA-N 1 2 381.358 3.233 20 5 GGBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)COCc1ccccc1 ZINC000193711302 1433044906 /nfs/dbraw/zinc/04/49/06/1433044906.db2.gz CMHHOUABGROQSH-INIZCTEOSA-N 1 2 394.431 3.363 20 5 GGBDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193799006 1433061949 /nfs/dbraw/zinc/06/19/49/1433061949.db2.gz RNTVVZHMFLZKPS-UHFFFAOYSA-N 1 2 399.407 3.289 20 5 GGBDLO O=C(NCCCn1cc[nH+]c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193887513 1433078507 /nfs/dbraw/zinc/07/85/07/1433078507.db2.gz BTHYYTQJZDZIDO-UHFFFAOYSA-N 1 2 380.404 3.190 20 5 GGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc2N1 ZINC000194185131 1433133883 /nfs/dbraw/zinc/13/38/83/1433133883.db2.gz YJTCGZRUGZFLTR-UHFFFAOYSA-N 1 2 381.367 3.416 20 5 GGBDLO C[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000194407729 1433173221 /nfs/dbraw/zinc/17/32/21/1433173221.db2.gz CGXXUSHFAVRJPO-INIZCTEOSA-N 1 2 393.447 3.443 20 5 GGBDLO C[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000194407738 1433173256 /nfs/dbraw/zinc/17/32/56/1433173256.db2.gz CGXXUSHFAVRJPO-MRXNPFEDSA-N 1 2 393.447 3.443 20 5 GGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000195061449 1433286942 /nfs/dbraw/zinc/28/69/42/1433286942.db2.gz NAGJKSYXQYVSAW-FUHWJXTLSA-N 1 2 385.445 3.170 20 5 GGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000195061437 1433286986 /nfs/dbraw/zinc/28/69/86/1433286986.db2.gz NAGJKSYXQYVSAW-WMZOPIPTSA-N 1 2 385.445 3.170 20 5 GGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)cc1 ZINC000195134182 1433297254 /nfs/dbraw/zinc/29/72/54/1433297254.db2.gz CANJXYWYIVRKCC-UHFFFAOYSA-N 1 2 382.464 3.258 20 5 GGBDLO O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195148878 1433299539 /nfs/dbraw/zinc/29/95/39/1433299539.db2.gz AYPSKJUQGPMTHY-UHFFFAOYSA-N 1 2 380.389 3.484 20 5 GGBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N)n2)C1 ZINC000195180430 1433303707 /nfs/dbraw/zinc/30/37/07/1433303707.db2.gz SNINBRHGVKMCSZ-NSHDSACASA-N 1 2 375.454 3.118 20 5 GGBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N)n2)C1 ZINC000195180430 1433303709 /nfs/dbraw/zinc/30/37/09/1433303709.db2.gz SNINBRHGVKMCSZ-NSHDSACASA-N 1 2 375.454 3.118 20 5 GGBDLO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195220330 1433308636 /nfs/dbraw/zinc/30/86/36/1433308636.db2.gz QGVGZNXDXGGNGZ-GOSISDBHSA-N 1 2 398.419 3.249 20 5 GGBDLO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195220330 1433308638 /nfs/dbraw/zinc/30/86/38/1433308638.db2.gz QGVGZNXDXGGNGZ-GOSISDBHSA-N 1 2 398.419 3.249 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000195347123 1433321418 /nfs/dbraw/zinc/32/14/18/1433321418.db2.gz PYQXOVHTZFUFLD-OLZOCXBDSA-N 1 2 390.465 3.267 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000195347123 1433321421 /nfs/dbraw/zinc/32/14/21/1433321421.db2.gz PYQXOVHTZFUFLD-OLZOCXBDSA-N 1 2 390.465 3.267 20 5 GGBDLO CCn1ncc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc21 ZINC000195362146 1433322900 /nfs/dbraw/zinc/32/29/00/1433322900.db2.gz UYHFFTKXYZVWDW-UHFFFAOYSA-N 1 2 376.376 3.402 20 5 GGBDLO O=C(CCC1CCCC1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195718812 1433345546 /nfs/dbraw/zinc/34/55/46/1433345546.db2.gz LMZMWHMTOKUFBK-UHFFFAOYSA-N 1 2 375.469 3.088 20 5 GGBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000195718822 1433345703 /nfs/dbraw/zinc/34/57/03/1433345703.db2.gz NOEJNGJDCNWPFL-UHFFFAOYSA-N 1 2 397.262 3.498 20 5 GGBDLO O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000198344324 1433349396 /nfs/dbraw/zinc/34/93/96/1433349396.db2.gz OJJOWYYNFSMVIR-UHFFFAOYSA-N 1 2 392.371 3.127 20 5 GGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000212825113 1433358886 /nfs/dbraw/zinc/35/88/86/1433358886.db2.gz HMABRQDBOYETRR-IEODJVTJSA-N 1 2 394.475 3.253 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000245800229 1433519590 /nfs/dbraw/zinc/51/95/90/1433519590.db2.gz ZDKWLCCBADUYJV-HOCLYGCPSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000245800229 1433519595 /nfs/dbraw/zinc/51/95/95/1433519595.db2.gz ZDKWLCCBADUYJV-HOCLYGCPSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000245800260 1433519852 /nfs/dbraw/zinc/51/98/52/1433519852.db2.gz ZDXFKBLFGMGAPP-ROUUACIJSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000245800260 1433519855 /nfs/dbraw/zinc/51/98/55/1433519855.db2.gz ZDXFKBLFGMGAPP-ROUUACIJSA-N 1 2 389.839 3.050 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CO)C1 ZINC000246260471 1433587341 /nfs/dbraw/zinc/58/73/41/1433587341.db2.gz GFMHYBZXABMEJT-ACJLOTCBSA-N 1 2 389.839 3.242 20 5 GGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[N@H+]1CC[C@@H](CO)C1 ZINC000246260471 1433587344 /nfs/dbraw/zinc/58/73/44/1433587344.db2.gz GFMHYBZXABMEJT-ACJLOTCBSA-N 1 2 389.839 3.242 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000246283637 1433589710 /nfs/dbraw/zinc/58/97/10/1433589710.db2.gz APCZZBHLISTBAP-GDBMZVCRSA-N 1 2 379.457 3.067 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000246283637 1433589713 /nfs/dbraw/zinc/58/97/13/1433589713.db2.gz APCZZBHLISTBAP-GDBMZVCRSA-N 1 2 379.457 3.067 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247731000 1433748269 /nfs/dbraw/zinc/74/82/69/1433748269.db2.gz VDUSXKMUZHRALB-IIYDPXPESA-N 1 2 391.859 3.355 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000248629050 1433812347 /nfs/dbraw/zinc/81/23/47/1433812347.db2.gz PTDZAQDEQANBBZ-CVEARBPZSA-N 1 2 391.468 3.284 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000248629050 1433812348 /nfs/dbraw/zinc/81/23/48/1433812348.db2.gz PTDZAQDEQANBBZ-CVEARBPZSA-N 1 2 391.468 3.284 20 5 GGBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000248637356 1433813028 /nfs/dbraw/zinc/81/30/28/1433813028.db2.gz WHYVJZLLIDMCLK-MSOLQXFVSA-N 1 2 385.420 3.277 20 5 GGBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000248637356 1433813029 /nfs/dbraw/zinc/81/30/29/1433813029.db2.gz WHYVJZLLIDMCLK-MSOLQXFVSA-N 1 2 385.420 3.277 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000248683143 1433815161 /nfs/dbraw/zinc/81/51/61/1433815161.db2.gz GJGPSGYFGLSNKT-QKKBWIMNSA-N 1 2 397.431 3.062 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000248683143 1433815163 /nfs/dbraw/zinc/81/51/63/1433815163.db2.gz GJGPSGYFGLSNKT-QKKBWIMNSA-N 1 2 397.431 3.062 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000248750185 1433819878 /nfs/dbraw/zinc/81/98/78/1433819878.db2.gz SPQBPBCFMKCQHH-BTYIYWSLSA-N 1 2 381.432 3.362 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000248750185 1433819879 /nfs/dbraw/zinc/81/98/79/1433819879.db2.gz SPQBPBCFMKCQHH-BTYIYWSLSA-N 1 2 381.432 3.362 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000249253169 1433839714 /nfs/dbraw/zinc/83/97/14/1433839714.db2.gz ZRHOGNDBUZTCRF-GJZGRUSLSA-N 1 2 385.420 3.002 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000249253169 1433839715 /nfs/dbraw/zinc/83/97/15/1433839715.db2.gz ZRHOGNDBUZTCRF-GJZGRUSLSA-N 1 2 385.420 3.002 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000249889013 1433853553 /nfs/dbraw/zinc/85/35/53/1433853553.db2.gz PYQXOVHTZFUFLD-CHWSQXEVSA-N 1 2 390.465 3.267 20 5 GGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000249889013 1433853554 /nfs/dbraw/zinc/85/35/54/1433853554.db2.gz PYQXOVHTZFUFLD-CHWSQXEVSA-N 1 2 390.465 3.267 20 5 GGBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1SC ZINC000264055087 1434066964 /nfs/dbraw/zinc/06/69/64/1434066964.db2.gz BRQYHOCDJKDPLN-LLVKDONJSA-N 1 2 376.438 3.068 20 5 GGBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1SC ZINC000264055093 1434066992 /nfs/dbraw/zinc/06/69/92/1434066992.db2.gz BRQYHOCDJKDPLN-NSHDSACASA-N 1 2 376.438 3.068 20 5 GGBDLO C[C@@H](c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264176282 1434078517 /nfs/dbraw/zinc/07/85/17/1434078517.db2.gz DBWFMFMMSUFCOH-HNNXBMFYSA-N 1 2 385.420 3.006 20 5 GGBDLO C[C@@H](c1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264216476 1434083293 /nfs/dbraw/zinc/08/32/93/1434083293.db2.gz JZFVUIOLMVGEBG-HNNXBMFYSA-N 1 2 384.436 3.039 20 5 GGBDLO COc1cc(C[NH2+][C@H](C)c2nncn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000264229781 1434084751 /nfs/dbraw/zinc/08/47/51/1434084751.db2.gz ABSNAFVPXGPNFW-CQSZACIVSA-N 1 2 397.435 3.162 20 5 GGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000264614830 1434135196 /nfs/dbraw/zinc/13/51/96/1434135196.db2.gz ORQKEZZEOXYUQO-UHFFFAOYSA-N 1 2 394.431 3.020 20 5 GGBDLO CC(C)NC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000265166389 1434193056 /nfs/dbraw/zinc/19/30/56/1434193056.db2.gz XPVSRSWWCAITHT-MRXNPFEDSA-N 1 2 397.479 3.011 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265708462 1434258782 /nfs/dbraw/zinc/25/87/82/1434258782.db2.gz ZXMMHONNZADLFG-UHFFFAOYSA-N 1 2 394.431 3.469 20 5 GGBDLO CC(C)(C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000265762755 1434263271 /nfs/dbraw/zinc/26/32/71/1434263271.db2.gz KPFRPTJSOUYOEF-UHFFFAOYSA-N 1 2 383.448 3.343 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000265978568 1434291635 /nfs/dbraw/zinc/29/16/35/1434291635.db2.gz DAWCMOQJSTWXOQ-DLBZAZTESA-N 1 2 397.479 3.004 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000265978571 1434291652 /nfs/dbraw/zinc/29/16/52/1434291652.db2.gz DAWCMOQJSTWXOQ-SJORKVTESA-N 1 2 397.479 3.004 20 5 GGBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000266189741 1434309358 /nfs/dbraw/zinc/30/93/58/1434309358.db2.gz XZLZRZFWYUXQEP-UHFFFAOYSA-N 1 2 383.408 3.159 20 5 GGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000266502509 1434344219 /nfs/dbraw/zinc/34/42/19/1434344219.db2.gz AUZIIARFKSNVAX-CYBMUJFWSA-N 1 2 375.450 3.086 20 5 GGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000266502509 1434344221 /nfs/dbraw/zinc/34/42/21/1434344221.db2.gz AUZIIARFKSNVAX-CYBMUJFWSA-N 1 2 375.450 3.086 20 5 GGBDLO CO[C@H](C)c1nc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000267637410 1434452058 /nfs/dbraw/zinc/45/20/58/1434452058.db2.gz PVVZJEXYULTEIH-GFCCVEGCSA-N 1 2 387.465 3.449 20 5 GGBDLO CSc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1[N+](=O)[O-] ZINC000269338678 1434627455 /nfs/dbraw/zinc/62/74/55/1434627455.db2.gz UYFHJBMLOOMQRG-UHFFFAOYSA-N 1 2 388.449 3.109 20 5 GGBDLO Cc1c(CC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000269657446 1434667176 /nfs/dbraw/zinc/66/71/76/1434667176.db2.gz FPAXKCIXLODLTP-INIZCTEOSA-N 1 2 383.448 3.478 20 5 GGBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269854300 1434681620 /nfs/dbraw/zinc/68/16/20/1434681620.db2.gz LHVSSOWCKJBYDT-GFCCVEGCSA-N 1 2 380.326 3.017 20 5 GGBDLO Cc1nn2c(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c(C)nc2s1 ZINC000271218424 1434808783 /nfs/dbraw/zinc/80/87/83/1434808783.db2.gz YCZXOBQPYRDQJE-UHFFFAOYSA-N 1 2 387.465 3.359 20 5 GGBDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000271633484 1434840534 /nfs/dbraw/zinc/84/05/34/1434840534.db2.gz PPNGAWAVZLLVPU-UHFFFAOYSA-N 1 2 377.832 3.098 20 5 GGBDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000271633484 1434840535 /nfs/dbraw/zinc/84/05/35/1434840535.db2.gz PPNGAWAVZLLVPU-UHFFFAOYSA-N 1 2 377.832 3.098 20 5 GGBDLO COc1cc(C[NH2+]Cc2cn3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272376412 1434891776 /nfs/dbraw/zinc/89/17/76/1434891776.db2.gz HEWBMSJJXMHBLB-UHFFFAOYSA-N 1 2 392.362 3.185 20 5 GGBDLO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000272586752 1434911390 /nfs/dbraw/zinc/91/13/90/1434911390.db2.gz ZEYHNLFJAGEZNN-JXFKEZNVSA-N 1 2 394.431 3.020 20 5 GGBDLO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272597045 1434912736 /nfs/dbraw/zinc/91/27/36/1434912736.db2.gz WWUMFKYMKIYQOD-UHFFFAOYSA-N 1 2 387.461 3.410 20 5 GGBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000273134795 1434965112 /nfs/dbraw/zinc/96/51/12/1434965112.db2.gz COCSYCLODXNZEX-VQTJNVASSA-N 1 2 380.448 3.001 20 5 GGBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000273134789 1434965181 /nfs/dbraw/zinc/96/51/81/1434965181.db2.gz COCSYCLODXNZEX-PMACEKPBSA-N 1 2 380.448 3.001 20 5 GGBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCCC2 ZINC000273506079 1434993222 /nfs/dbraw/zinc/99/32/22/1434993222.db2.gz ZOKFUHBRYTUQPS-LBPRGKRZSA-N 1 2 395.506 3.055 20 5 GGBDLO Cc1ccc(N2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000273542952 1434995669 /nfs/dbraw/zinc/99/56/69/1434995669.db2.gz LOTHCUGXUYXRIS-UHFFFAOYSA-N 1 2 379.420 3.275 20 5 GGBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2ncc([N+](=O)[O-])cn2)cc1 ZINC000273908397 1435027660 /nfs/dbraw/zinc/02/76/60/1435027660.db2.gz IOBIAMYBTPOSJH-UHFFFAOYSA-N 1 2 382.424 3.077 20 5 GGBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000274110930 1435044579 /nfs/dbraw/zinc/04/45/79/1435044579.db2.gz QWRNUNHVIUHJAA-QZTJIDSGSA-N 1 2 386.452 3.083 20 5 GGBDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276273763 1435201482 /nfs/dbraw/zinc/20/14/82/1435201482.db2.gz DJZARPLOKCOKOE-UHFFFAOYSA-N 1 2 375.375 3.221 20 5 GGBDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276273763 1435201483 /nfs/dbraw/zinc/20/14/83/1435201483.db2.gz DJZARPLOKCOKOE-UHFFFAOYSA-N 1 2 375.375 3.221 20 5 GGBDLO COc1cc(C[NH2+][C@@H](C)c2ncnn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000276672341 1435224287 /nfs/dbraw/zinc/22/42/87/1435224287.db2.gz KOGYSEBWZSCRML-AWEZNQCLSA-N 1 2 397.435 3.162 20 5 GGBDLO CCOc1cc(C[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000276894184 1435240919 /nfs/dbraw/zinc/24/09/19/1435240919.db2.gz KRBMSPPFJDVZHY-GOSISDBHSA-N 1 2 377.828 3.137 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000277405986 1435302220 /nfs/dbraw/zinc/30/22/20/1435302220.db2.gz HMCYZDWGZPJGPT-GASCZTMLSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000277405986 1435302223 /nfs/dbraw/zinc/30/22/23/1435302223.db2.gz HMCYZDWGZPJGPT-GASCZTMLSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000277405993 1435302462 /nfs/dbraw/zinc/30/24/62/1435302462.db2.gz HMCYZDWGZPJGPT-HUUCEWRRSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277440307 1435304769 /nfs/dbraw/zinc/30/47/69/1435304769.db2.gz NMJPAVRLLZWPSS-UHFFFAOYSA-N 1 2 390.465 3.186 20 5 GGBDLO Cc1nn(C)c(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1[N+](=O)[O-] ZINC000277715888 1435324098 /nfs/dbraw/zinc/32/40/98/1435324098.db2.gz NWYXEMDQCUJSEI-UHFFFAOYSA-N 1 2 380.408 3.089 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)co2)cc1 ZINC000277770391 1435328787 /nfs/dbraw/zinc/32/87/87/1435328787.db2.gz MXQNFFSLRWJBRX-WFASDCNBSA-N 1 2 385.342 3.385 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)co2)cc1 ZINC000277770391 1435328788 /nfs/dbraw/zinc/32/87/88/1435328788.db2.gz MXQNFFSLRWJBRX-WFASDCNBSA-N 1 2 385.342 3.385 20 5 GGBDLO CSc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278188088 1435367826 /nfs/dbraw/zinc/36/78/26/1435367826.db2.gz VRIYPHBJHUGJLI-GXTWGEPZSA-N 1 2 376.438 3.293 20 5 GGBDLO CSc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000278188088 1435367828 /nfs/dbraw/zinc/36/78/28/1435367828.db2.gz VRIYPHBJHUGJLI-GXTWGEPZSA-N 1 2 376.438 3.293 20 5 GGBDLO COc1cc(C[NH+]2CCC(Oc3ncccc3F)CC2)c([N+](=O)[O-])cc1OC ZINC000278282861 1435376345 /nfs/dbraw/zinc/37/63/45/1435376345.db2.gz QBUSXZKWFHLPQQ-UHFFFAOYSA-N 1 2 391.399 3.190 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(Oc4ncccc4F)CC3)n2)cc1 ZINC000278303439 1435377893 /nfs/dbraw/zinc/37/78/93/1435377893.db2.gz LZDOOSUVDPKKRR-UHFFFAOYSA-N 1 2 399.382 3.222 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278418123 1435389336 /nfs/dbraw/zinc/38/93/36/1435389336.db2.gz REFXIBSCYUGZQC-NOZJJQNGSA-N 1 2 384.301 3.331 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278418123 1435389339 /nfs/dbraw/zinc/38/93/39/1435389339.db2.gz REFXIBSCYUGZQC-NOZJJQNGSA-N 1 2 384.301 3.331 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278419250 1435389550 /nfs/dbraw/zinc/38/95/50/1435389550.db2.gz REFXIBSCYUGZQC-ZANVPECISA-N 1 2 384.301 3.331 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278419250 1435389553 /nfs/dbraw/zinc/38/95/53/1435389553.db2.gz REFXIBSCYUGZQC-ZANVPECISA-N 1 2 384.301 3.331 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278606420 1435404819 /nfs/dbraw/zinc/40/48/19/1435404819.db2.gz ATUVJTRPNVZMOG-UHFFFAOYSA-N 1 2 384.436 3.156 20 5 GGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c2c(c1)COCO2 ZINC000278788608 1435423943 /nfs/dbraw/zinc/42/39/43/1435423943.db2.gz DTCHNOLKKQQPBU-UHFFFAOYSA-N 1 2 398.463 3.374 20 5 GGBDLO COc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc([N+](=O)[O-])c1C ZINC000279006852 1435451287 /nfs/dbraw/zinc/45/12/87/1435451287.db2.gz SZVZJRSRMWZDQM-UHFFFAOYSA-N 1 2 398.463 3.464 20 5 GGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279036330 1435454445 /nfs/dbraw/zinc/45/44/45/1435454445.db2.gz XJBPJJIAUOJGJL-UHFFFAOYSA-N 1 2 398.463 3.303 20 5 GGBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279564046 1435513617 /nfs/dbraw/zinc/51/36/17/1435513617.db2.gz QLUZVJZHNTURSY-UHFFFAOYSA-N 1 2 397.479 3.213 20 5 GGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC000280418142 1435657216 /nfs/dbraw/zinc/65/72/16/1435657216.db2.gz SOITYPVMZBEQRL-UHFFFAOYSA-N 1 2 390.346 3.286 20 5 GGBDLO Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280729829 1435710715 /nfs/dbraw/zinc/71/07/15/1435710715.db2.gz GQPKAWQZKDXKTP-UGSOOPFHSA-N 1 2 380.441 3.306 20 5 GGBDLO COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000280786824 1435720488 /nfs/dbraw/zinc/72/04/88/1435720488.db2.gz IXHGYDKEQADLJI-KUHUBIRLSA-N 1 2 392.477 3.176 20 5 GGBDLO COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000280786829 1435720556 /nfs/dbraw/zinc/72/05/56/1435720556.db2.gz IXHGYDKEQADLJI-LIRRHRJNSA-N 1 2 392.477 3.176 20 5 GGBDLO COc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000280786814 1435720678 /nfs/dbraw/zinc/72/06/78/1435720678.db2.gz IXHGYDKEQADLJI-AUUYWEPGSA-N 1 2 392.477 3.176 20 5 GGBDLO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000282578464 1435852344 /nfs/dbraw/zinc/85/23/44/1435852344.db2.gz VVCWYPBVWNFRNE-FZKQIMNGSA-N 1 2 380.441 3.306 20 5 GGBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001164916870 721814958 /nfs/dbraw/zinc/81/49/58/721814958.db2.gz KBPALAVMJLTXIX-UHFFFAOYSA-N 1 2 392.463 3.089 20 5 GGBDLO C[C@@H]([NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001593298524 994716016 /nfs/dbraw/zinc/71/60/16/994716016.db2.gz KMCHJJDWIHGYPU-CQSZACIVSA-N 1 2 396.403 3.095 20 5 GGBDLO CNc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000014400683 210118124 /nfs/dbraw/zinc/11/81/24/210118124.db2.gz BYGMJIHJWODRPD-KRWDZBQOSA-N 1 2 383.383 3.029 20 5 GGBDLO CNc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000014400686 210117628 /nfs/dbraw/zinc/11/76/28/210117628.db2.gz BYGMJIHJWODRPD-QGZVFWFLSA-N 1 2 383.383 3.029 20 5 GGBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000012919937 210030528 /nfs/dbraw/zinc/03/05/28/210030528.db2.gz QWTAPBKEECGPBX-LJQANCHMSA-N 1 2 383.448 3.015 20 5 GGBDLO Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c(C)[nH+]1 ZINC000097214121 209242338 /nfs/dbraw/zinc/24/23/38/209242338.db2.gz ALFRKRSJEQQBAZ-CYBMUJFWSA-N 1 2 386.383 3.046 20 5 GGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000229512915 209188419 /nfs/dbraw/zinc/18/84/19/209188419.db2.gz IYKIKJKJAKNLOC-PKOBYXMFSA-N 1 2 392.839 3.061 20 5 GGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000229512915 209188423 /nfs/dbraw/zinc/18/84/23/209188423.db2.gz IYKIKJKJAKNLOC-PKOBYXMFSA-N 1 2 392.839 3.061 20 5 GGBDLO CCCNC(=O)NC(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004484648 212064495 /nfs/dbraw/zinc/06/44/95/212064495.db2.gz BKBRYDHSKSYMCU-UHFFFAOYSA-N 1 2 393.472 3.364 20 5 GGBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000071968826 212057269 /nfs/dbraw/zinc/05/72/69/212057269.db2.gz BPBUYLQBZQHHLV-IBGZPJMESA-N 1 2 386.408 3.297 20 5 GGBDLO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000095452661 211242403 /nfs/dbraw/zinc/24/24/03/211242403.db2.gz GZEZZEJSZZXSON-KXBFYZLASA-N 1 2 397.431 3.355 20 5 GGBDLO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000095452661 211242407 /nfs/dbraw/zinc/24/24/07/211242407.db2.gz GZEZZEJSZZXSON-KXBFYZLASA-N 1 2 397.431 3.355 20 5 GGBDLO COc1cccc([C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000021901713 210398374 /nfs/dbraw/zinc/39/83/74/210398374.db2.gz DOSHYPCPMGQJET-MRXNPFEDSA-N 1 2 378.392 3.186 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)nc1-c1ccccc1 ZINC000170088706 136198748 /nfs/dbraw/zinc/19/87/48/136198748.db2.gz SHCZPZBIBUUHIL-LJQANCHMSA-N 1 2 379.420 3.330 20 5 GGBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116276585 564207300 /nfs/dbraw/zinc/20/73/00/564207300.db2.gz AGTTUPJQXHVLLI-NSHDSACASA-N 1 2 383.857 3.089 20 5 GGBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116276585 564207302 /nfs/dbraw/zinc/20/73/02/564207302.db2.gz AGTTUPJQXHVLLI-NSHDSACASA-N 1 2 383.857 3.089 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120294408 564313676 /nfs/dbraw/zinc/31/36/76/564313676.db2.gz FMAFRDWNQMVVEM-CYBMUJFWSA-N 1 2 379.214 3.448 20 5 GGBDLO C[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026345991 564345912 /nfs/dbraw/zinc/34/59/12/564345912.db2.gz QIBKDIOAZNCHDH-UHFFFAOYSA-N 1 2 378.226 3.428 20 5 GGBDLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026345991 564345918 /nfs/dbraw/zinc/34/59/18/564345918.db2.gz QIBKDIOAZNCHDH-UHFFFAOYSA-N 1 2 378.226 3.428 20 5 GGBDLO C[N@H+](Cc1ccc(Br)s1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027360006 564353444 /nfs/dbraw/zinc/35/34/44/564353444.db2.gz CCCJLINUFNEPIK-UHFFFAOYSA-N 1 2 384.255 3.150 20 5 GGBDLO C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027360006 564353446 /nfs/dbraw/zinc/35/34/46/564353446.db2.gz CCCJLINUFNEPIK-UHFFFAOYSA-N 1 2 384.255 3.150 20 5 GGBDLO Cc1cccc2[nH+]c(CNC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cn21 ZINC000121185842 564357776 /nfs/dbraw/zinc/35/77/76/564357776.db2.gz PPMGCBIWGIBGOG-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO CC(C)c1nc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000121266858 564361739 /nfs/dbraw/zinc/36/17/39/564361739.db2.gz VXFOUNKCJHDPIV-LBPRGKRZSA-N 1 2 383.495 3.299 20 5 GGBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000121376844 564366583 /nfs/dbraw/zinc/36/65/83/564366583.db2.gz IFTKMGXPDWBARC-UHFFFAOYSA-N 1 2 393.241 3.374 20 5 GGBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000121422514 564368789 /nfs/dbraw/zinc/36/87/89/564368789.db2.gz MNHGJYIUYDFCNX-GFCCVEGCSA-N 1 2 384.845 3.196 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000030213548 564376363 /nfs/dbraw/zinc/37/63/63/564376363.db2.gz ZUOHTHWPGBACEO-UHFFFAOYSA-N 1 2 398.213 3.029 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000030213548 564376366 /nfs/dbraw/zinc/37/63/66/564376366.db2.gz ZUOHTHWPGBACEO-UHFFFAOYSA-N 1 2 398.213 3.029 20 5 GGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(Br)o1 ZINC000030213786 564377082 /nfs/dbraw/zinc/37/70/82/564377082.db2.gz XRZSQMLPLPYRIN-SNVBAGLBSA-N 1 2 382.214 3.409 20 5 GGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030213786 564377084 /nfs/dbraw/zinc/37/70/84/564377084.db2.gz XRZSQMLPLPYRIN-SNVBAGLBSA-N 1 2 382.214 3.409 20 5 GGBDLO Cc1cccn2cc(CNC(=O)c3cc(Br)cc([N+](=O)[O-])c3)[nH+]c12 ZINC000125505822 564516753 /nfs/dbraw/zinc/51/67/53/564516753.db2.gz CUNNNOCTMSVYNT-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000057842105 564675572 /nfs/dbraw/zinc/67/55/72/564675572.db2.gz WSFAISHIBQELKR-UHFFFAOYSA-N 1 2 383.217 3.491 20 5 GGBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000057842105 564675577 /nfs/dbraw/zinc/67/55/77/564675577.db2.gz WSFAISHIBQELKR-UHFFFAOYSA-N 1 2 383.217 3.491 20 5 GGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncc(Br)cc1[N+](=O)[O-])C2 ZINC000130621997 564687100 /nfs/dbraw/zinc/68/71/00/564687100.db2.gz YBKGKTZYOOOVNF-UHFFFAOYSA-N 1 2 380.246 3.172 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2ncn(Cc3cn4cc(Br)ccc4[nH+]3)n2)cc1 ZINC000131768568 564723172 /nfs/dbraw/zinc/72/31/72/564723172.db2.gz SYDVVVAEWGVHSL-UHFFFAOYSA-N 1 2 399.208 3.312 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000067212602 564786908 /nfs/dbraw/zinc/78/69/08/564786908.db2.gz VUFJCZWJLOJVBD-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO Cc1cc(Br)cn2cc(CNC(=O)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000071446724 564856477 /nfs/dbraw/zinc/85/64/77/564856477.db2.gz OTUGJQKLVSGKSK-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO Cc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000136963823 564857633 /nfs/dbraw/zinc/85/76/33/564857633.db2.gz MMYOGIVKEPLQMW-MRXNPFEDSA-N 1 2 392.253 3.324 20 5 GGBDLO Cc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000136963823 564857636 /nfs/dbraw/zinc/85/76/36/564857636.db2.gz MMYOGIVKEPLQMW-MRXNPFEDSA-N 1 2 392.253 3.324 20 5 GGBDLO Cc1cc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000154161375 565027713 /nfs/dbraw/zinc/02/77/13/565027713.db2.gz MOYXTUISRBVIIV-UHFFFAOYSA-N 1 2 383.145 3.155 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@H](NCc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000154338351 565034800 /nfs/dbraw/zinc/03/48/00/565034800.db2.gz UUGSXMFEIQCIMO-DOTOQJQBSA-N 1 2 381.885 3.471 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@H](NCc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000154338351 565034803 /nfs/dbraw/zinc/03/48/03/565034803.db2.gz UUGSXMFEIQCIMO-DOTOQJQBSA-N 1 2 381.885 3.471 20 5 GGBDLO CN1CCO[C@H]([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000154338351 565034804 /nfs/dbraw/zinc/03/48/04/565034804.db2.gz UUGSXMFEIQCIMO-DOTOQJQBSA-N 1 2 381.885 3.471 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@H](NCc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000154338460 565035291 /nfs/dbraw/zinc/03/52/91/565035291.db2.gz UUGSXMFEIQCIMO-NVXWUHKLSA-N 1 2 381.885 3.471 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@H](NCc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000154338460 565035293 /nfs/dbraw/zinc/03/52/93/565035293.db2.gz UUGSXMFEIQCIMO-NVXWUHKLSA-N 1 2 381.885 3.471 20 5 GGBDLO CN1CCO[C@@H]([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000154338460 565035295 /nfs/dbraw/zinc/03/52/95/565035295.db2.gz UUGSXMFEIQCIMO-NVXWUHKLSA-N 1 2 381.885 3.471 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000110737114 565044814 /nfs/dbraw/zinc/04/48/14/565044814.db2.gz QKQQEEGWTRXSRR-UHFFFAOYSA-N 1 2 392.253 3.385 20 5 GGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(n2cc[nH+]c2)CC1 ZINC000267902955 565134141 /nfs/dbraw/zinc/13/41/41/565134141.db2.gz CAEYTEDGIRQTGQ-UHFFFAOYSA-N 1 2 397.204 3.170 20 5 GGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268502691 565156453 /nfs/dbraw/zinc/15/64/53/565156453.db2.gz SSYAFDAIXPYKKW-LBPRGKRZSA-N 1 2 392.257 3.031 20 5 GGBDLO NC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000185036160 565173305 /nfs/dbraw/zinc/17/33/05/565173305.db2.gz DXNUINUYBBNIHB-CQSZACIVSA-N 1 2 398.644 3.327 20 5 GGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269282804 565185048 /nfs/dbraw/zinc/18/50/48/565185048.db2.gz BAZANOJCIOSNHV-JTQLQIEISA-N 1 2 379.214 3.100 20 5 GGBDLO Cc1c(Br)cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000270002755 565206004 /nfs/dbraw/zinc/20/60/04/565206004.db2.gz XGGABQGSBHPTCF-LLVKDONJSA-N 1 2 393.241 3.409 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000185676587 565216090 /nfs/dbraw/zinc/21/60/90/565216090.db2.gz ISDGXCIGQWJDSU-UHFFFAOYSA-N 1 2 395.746 3.401 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000185679715 565216226 /nfs/dbraw/zinc/21/62/26/565216226.db2.gz ZKFKOZJVIGXOIP-UHFFFAOYSA-N 1 2 375.328 3.056 20 5 GGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000373057597 565268108 /nfs/dbraw/zinc/26/81/08/565268108.db2.gz NEUDTMNHGXKYKN-NSHDSACASA-N 1 2 393.241 3.111 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(C)C ZINC000295818962 565288310 /nfs/dbraw/zinc/28/83/10/565288310.db2.gz HNAXULCHDISQEG-ZDUSSCGKSA-N 1 2 393.241 3.314 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000375053744 565365607 /nfs/dbraw/zinc/36/56/07/565365607.db2.gz YVYGUHMZJXUHPB-GFCCVEGCSA-N 1 2 393.241 3.340 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375082998 565368460 /nfs/dbraw/zinc/36/84/60/565368460.db2.gz YNXFSWJFHACYIZ-ZDUSSCGKSA-N 1 2 379.214 3.366 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1(C)C ZINC000297627793 565380145 /nfs/dbraw/zinc/38/01/45/565380145.db2.gz BZMZJWCOBNHRMF-ZDUSSCGKSA-N 1 2 393.241 3.314 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000297760319 565385795 /nfs/dbraw/zinc/38/57/95/565385795.db2.gz OXTKFVTUQFEYBZ-ZDUSSCGKSA-N 1 2 393.241 3.314 20 5 GGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1(C)C ZINC000297793305 565386923 /nfs/dbraw/zinc/38/69/23/565386923.db2.gz RNXGTAHOZWHJCF-ZDUSSCGKSA-N 1 2 393.241 3.314 20 5 GGBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301147661 565466848 /nfs/dbraw/zinc/46/68/48/565466848.db2.gz BMDKWFCZABJTMA-UHFFFAOYSA-N 1 2 395.257 3.284 20 5 GGBDLO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000301354973 565480868 /nfs/dbraw/zinc/48/08/68/565480868.db2.gz OAVOIBXTVMNOOZ-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000301508517 565491186 /nfs/dbraw/zinc/49/11/86/565491186.db2.gz CHMMDUZMIJTFRK-UHFFFAOYSA-N 1 2 377.242 3.223 20 5 GGBDLO O=[N+]([O-])c1cnc(NCC[N@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000301508517 565491190 /nfs/dbraw/zinc/49/11/90/565491190.db2.gz CHMMDUZMIJTFRK-UHFFFAOYSA-N 1 2 377.242 3.223 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301521036 565491963 /nfs/dbraw/zinc/49/19/63/565491963.db2.gz GXBYUEUFSMACOL-CYBMUJFWSA-N 1 2 391.269 3.463 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301521036 565491970 /nfs/dbraw/zinc/49/19/70/565491970.db2.gz GXBYUEUFSMACOL-CYBMUJFWSA-N 1 2 391.269 3.463 20 5 GGBDLO O=[N+]([O-])c1cnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c(Br)c1 ZINC000301537231 565493576 /nfs/dbraw/zinc/49/35/76/565493576.db2.gz AVHSSNZXSNUKKX-UHFFFAOYSA-N 1 2 380.177 3.422 20 5 GGBDLO O=[N+]([O-])c1cnc(Nc2cccc(C[NH+]3CCOCC3)c2)c(Br)c1 ZINC000301532645 565493965 /nfs/dbraw/zinc/49/39/65/565493965.db2.gz LOOPTXIOCDPDIT-UHFFFAOYSA-N 1 2 393.241 3.328 20 5 GGBDLO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](O)C(F)(F)F ZINC000189876208 565494767 /nfs/dbraw/zinc/49/47/67/565494767.db2.gz RGYPVBFZTISUTB-ZDUSSCGKSA-N 1 2 375.372 3.463 20 5 GGBDLO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](O)C(F)(F)F ZINC000189876208 565494770 /nfs/dbraw/zinc/49/47/70/565494770.db2.gz RGYPVBFZTISUTB-ZDUSSCGKSA-N 1 2 375.372 3.463 20 5 GGBDLO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000301663230 565503665 /nfs/dbraw/zinc/50/36/65/565503665.db2.gz KKXZNXLUHLAVQZ-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302171012 565534868 /nfs/dbraw/zinc/53/48/68/565534868.db2.gz URWSEKOKMDZXTB-LBPRGKRZSA-N 1 2 392.257 3.031 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000389553761 565555157 /nfs/dbraw/zinc/55/51/57/565555157.db2.gz QDMFYLOYJJVTCO-UHFFFAOYSA-N 1 2 383.164 3.247 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1Br ZINC000278460988 565559887 /nfs/dbraw/zinc/55/98/87/565559887.db2.gz ZVXKGXMJIKTICG-MFKMUULPSA-N 1 2 397.191 3.493 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1Br ZINC000278460988 565559891 /nfs/dbraw/zinc/55/98/91/565559891.db2.gz ZVXKGXMJIKTICG-MFKMUULPSA-N 1 2 397.191 3.493 20 5 GGBDLO Cc1c(C[NH2+]Cc2ncc(I)s2)cccc1[N+](=O)[O-] ZINC000311496598 565580464 /nfs/dbraw/zinc/58/04/64/565580464.db2.gz OLYQSQFNOBZDCO-UHFFFAOYSA-N 1 2 389.218 3.254 20 5 GGBDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])sc2C1 ZINC000175181373 565683520 /nfs/dbraw/zinc/68/35/20/565683520.db2.gz FRWMGVFRWKQWLX-UHFFFAOYSA-N 1 2 397.254 3.054 20 5 GGBDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])sc2C1 ZINC000175181373 565683526 /nfs/dbraw/zinc/68/35/26/565683526.db2.gz FRWMGVFRWKQWLX-UHFFFAOYSA-N 1 2 397.254 3.054 20 5 GGBDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330955974 565732190 /nfs/dbraw/zinc/73/21/90/565732190.db2.gz HJEUKASAJGZOFH-CYBMUJFWSA-N 1 2 380.388 3.031 20 5 GGBDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330955974 565732193 /nfs/dbraw/zinc/73/21/93/565732193.db2.gz HJEUKASAJGZOFH-CYBMUJFWSA-N 1 2 380.388 3.031 20 5 GGBDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000332008988 565799114 /nfs/dbraw/zinc/79/91/14/565799114.db2.gz QJOVGHFOSVUFLZ-VHSXEESVSA-N 1 2 388.287 3.118 20 5 GGBDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000332008988 565799118 /nfs/dbraw/zinc/79/91/18/565799118.db2.gz QJOVGHFOSVUFLZ-VHSXEESVSA-N 1 2 388.287 3.118 20 5 GGBDLO O=C(CC[N@@H+]1CCSC[C@H]1c1nccs1)Nc1ccccc1[N+](=O)[O-] ZINC000283228714 565812762 /nfs/dbraw/zinc/81/27/62/565812762.db2.gz IMRRUSVFVXFKEI-AWEZNQCLSA-N 1 2 378.479 3.170 20 5 GGBDLO O=C(CC[N@H+]1CCSC[C@H]1c1nccs1)Nc1ccccc1[N+](=O)[O-] ZINC000283228714 565812767 /nfs/dbraw/zinc/81/27/67/565812767.db2.gz IMRRUSVFVXFKEI-AWEZNQCLSA-N 1 2 378.479 3.170 20 5 GGBDLO O=C1O[C@@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC12CCC2 ZINC000285002024 565882751 /nfs/dbraw/zinc/88/27/51/565882751.db2.gz YVOBWHNBVAHMQG-LLVKDONJSA-N 1 2 395.253 3.201 20 5 GGBDLO O=C1O[C@@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC12CCC2 ZINC000285002024 565882756 /nfs/dbraw/zinc/88/27/56/565882756.db2.gz YVOBWHNBVAHMQG-LLVKDONJSA-N 1 2 395.253 3.201 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000198704103 565893262 /nfs/dbraw/zinc/89/32/62/565893262.db2.gz NNBZTSYYGIPFJD-UHFFFAOYSA-N 1 2 393.241 3.201 20 5 GGBDLO COCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000286728502 565977263 /nfs/dbraw/zinc/97/72/63/565977263.db2.gz BLIZMPIEBWQBNJ-UHFFFAOYSA-N 1 2 380.242 3.401 20 5 GGBDLO COCC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000286728502 565977269 /nfs/dbraw/zinc/97/72/69/565977269.db2.gz BLIZMPIEBWQBNJ-UHFFFAOYSA-N 1 2 380.242 3.401 20 5 GGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000179382366 565977768 /nfs/dbraw/zinc/97/77/68/565977768.db2.gz IHPUMIIXQDTZFG-HNNXBMFYSA-N 1 2 378.226 3.016 20 5 GGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000179382366 565977769 /nfs/dbraw/zinc/97/77/69/565977769.db2.gz IHPUMIIXQDTZFG-HNNXBMFYSA-N 1 2 378.226 3.016 20 5 GGBDLO CC[N@H+](CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000179563886 565988614 /nfs/dbraw/zinc/98/86/14/565988614.db2.gz TXUFJEADIOFIQH-UHFFFAOYSA-N 1 2 383.495 3.388 20 5 GGBDLO CC[N@@H+](CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000179563886 565988620 /nfs/dbraw/zinc/98/86/20/565988620.db2.gz TXUFJEADIOFIQH-UHFFFAOYSA-N 1 2 383.495 3.388 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@@H](NCc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000247800419 566067088 /nfs/dbraw/zinc/06/70/88/566067088.db2.gz UUGSXMFEIQCIMO-WBVHZDCISA-N 1 2 381.885 3.471 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@@H](NCc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000247800419 566067093 /nfs/dbraw/zinc/06/70/93/566067093.db2.gz UUGSXMFEIQCIMO-WBVHZDCISA-N 1 2 381.885 3.471 20 5 GGBDLO CN1CCO[C@@H]([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000247800419 566067097 /nfs/dbraw/zinc/06/70/97/566067097.db2.gz UUGSXMFEIQCIMO-WBVHZDCISA-N 1 2 381.885 3.471 20 5 GGBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(n2cc[nH+]c2)CC1 ZINC000180554865 566072576 /nfs/dbraw/zinc/07/25/76/566072576.db2.gz SZXKVNKSCAFVFM-UHFFFAOYSA-N 1 2 379.214 3.031 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000180795305 566089306 /nfs/dbraw/zinc/08/93/06/566089306.db2.gz SATJCRAJFPBPKL-UHFFFAOYSA-N 1 2 375.328 3.056 20 5 GGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000365466296 566102873 /nfs/dbraw/zinc/10/28/73/566102873.db2.gz YHVHYXQWWLRJNX-NSHDSACASA-N 1 2 393.241 3.111 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000182252402 566193054 /nfs/dbraw/zinc/19/30/54/566193054.db2.gz LLOPZRPPPMOSDF-UHFFFAOYSA-N 1 2 384.523 3.120 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000182252402 566193060 /nfs/dbraw/zinc/19/30/60/566193060.db2.gz LLOPZRPPPMOSDF-UHFFFAOYSA-N 1 2 384.523 3.120 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265829490 566242362 /nfs/dbraw/zinc/24/23/62/566242362.db2.gz SPENUNGBDPNVAJ-SNVBAGLBSA-N 1 2 379.214 3.100 20 5 GGBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599305413 566252870 /nfs/dbraw/zinc/25/28/70/566252870.db2.gz XRVYFDQZPUTXLL-SNVBAGLBSA-N 1 2 379.214 3.100 20 5 GGBDLO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462152114 566255753 /nfs/dbraw/zinc/25/57/53/566255753.db2.gz RXNPYOVIASBZPA-LLVKDONJSA-N 1 2 396.296 3.054 20 5 GGBDLO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462152114 566255758 /nfs/dbraw/zinc/25/57/58/566255758.db2.gz RXNPYOVIASBZPA-LLVKDONJSA-N 1 2 396.296 3.054 20 5 GGBDLO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462152116 566256089 /nfs/dbraw/zinc/25/60/89/566256089.db2.gz RXNPYOVIASBZPA-NSHDSACASA-N 1 2 396.296 3.054 20 5 GGBDLO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462152116 566256096 /nfs/dbraw/zinc/25/60/96/566256096.db2.gz RXNPYOVIASBZPA-NSHDSACASA-N 1 2 396.296 3.054 20 5 GGBDLO Cc1cc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000481860681 566257963 /nfs/dbraw/zinc/25/79/63/566257963.db2.gz CCQUGBUMCRIFPV-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000481884775 566261483 /nfs/dbraw/zinc/26/14/83/566261483.db2.gz XQBMHURTXNSABN-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)sc1Br ZINC000535785832 566326014 /nfs/dbraw/zinc/32/60/14/566326014.db2.gz HZQBITQHGFXRAG-UHFFFAOYSA-N 1 2 397.298 3.444 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc2[nH+]ccn21 ZINC000446041567 566326078 /nfs/dbraw/zinc/32/60/78/566326078.db2.gz JHGWEGCQLQSYDP-UHFFFAOYSA-N 1 2 375.182 3.186 20 5 GGBDLO Cn1cc(Br)cc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482689338 566326230 /nfs/dbraw/zinc/32/62/30/566326230.db2.gz DJVGHVMJYRKHFN-UHFFFAOYSA-N 1 2 378.230 3.204 20 5 GGBDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482689338 566326236 /nfs/dbraw/zinc/32/62/36/566326236.db2.gz DJVGHVMJYRKHFN-UHFFFAOYSA-N 1 2 378.230 3.204 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420939884 566330962 /nfs/dbraw/zinc/33/09/62/566330962.db2.gz CIMPXGYKQMYSHY-GFCCVEGCSA-N 1 2 380.388 3.033 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420939884 566330968 /nfs/dbraw/zinc/33/09/68/566330968.db2.gz CIMPXGYKQMYSHY-GFCCVEGCSA-N 1 2 380.388 3.033 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420939886 566331771 /nfs/dbraw/zinc/33/17/71/566331771.db2.gz CIMPXGYKQMYSHY-LBPRGKRZSA-N 1 2 380.388 3.033 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420939886 566331776 /nfs/dbraw/zinc/33/17/76/566331776.db2.gz CIMPXGYKQMYSHY-LBPRGKRZSA-N 1 2 380.388 3.033 20 5 GGBDLO O=C(C[NH2+][C@H](CO)c1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000483230031 566365222 /nfs/dbraw/zinc/36/52/22/566365222.db2.gz GLPYEGVPLVILFV-CYBMUJFWSA-N 1 2 384.219 3.163 20 5 GGBDLO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000536746054 566398506 /nfs/dbraw/zinc/39/85/06/566398506.db2.gz VHEBQFMLLYHZKL-MFKMUULPSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000536746054 566398510 /nfs/dbraw/zinc/39/85/10/566398510.db2.gz VHEBQFMLLYHZKL-MFKMUULPSA-N 1 2 385.251 3.078 20 5 GGBDLO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000577526634 566442116 /nfs/dbraw/zinc/44/21/16/566442116.db2.gz GQLVROOBCCFWEE-HNNXBMFYSA-N 1 2 396.285 3.094 20 5 GGBDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602635890 566483215 /nfs/dbraw/zinc/48/32/15/566483215.db2.gz CUBXAMVJPZQXLM-ZDUSSCGKSA-N 1 2 380.388 3.013 20 5 GGBDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602635890 566483218 /nfs/dbraw/zinc/48/32/18/566483218.db2.gz CUBXAMVJPZQXLM-ZDUSSCGKSA-N 1 2 380.388 3.013 20 5 GGBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000485453664 566498572 /nfs/dbraw/zinc/49/85/72/566498572.db2.gz TVFXKBNNRQALLP-CYBMUJFWSA-N 1 2 394.229 3.364 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000559543373 566555251 /nfs/dbraw/zinc/55/52/51/566555251.db2.gz DWHWNIAVUHAUCP-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO CS[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449444681 566561855 /nfs/dbraw/zinc/56/18/55/566561855.db2.gz CIFOUTLZXJZXBF-GFCCVEGCSA-N 1 2 378.235 3.137 20 5 GGBDLO CS[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449444681 566561861 /nfs/dbraw/zinc/56/18/61/566561861.db2.gz CIFOUTLZXJZXBF-GFCCVEGCSA-N 1 2 378.235 3.137 20 5 GGBDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c2nccn21 ZINC000449568726 566577394 /nfs/dbraw/zinc/57/73/94/566577394.db2.gz CSCWOTSVUFQFRH-TVQRCGJNSA-N 1 2 398.204 3.192 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000425413350 566639403 /nfs/dbraw/zinc/63/94/03/566639403.db2.gz CIBGDHQHAPVLDC-HNNXBMFYSA-N 1 2 385.258 3.127 20 5 GGBDLO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425429685 566641256 /nfs/dbraw/zinc/64/12/56/566641256.db2.gz AMALNDUOJCKUME-LLVKDONJSA-N 1 2 384.274 3.094 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000425416428 566642177 /nfs/dbraw/zinc/64/21/77/566642177.db2.gz GKEDREGSIOHQID-UHFFFAOYSA-N 1 2 391.269 3.070 20 5 GGBDLO C[N@H+](CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1)C1CC1 ZINC000540333073 566645537 /nfs/dbraw/zinc/64/55/37/566645537.db2.gz JWFQTONIUPUNCA-UHFFFAOYSA-N 1 2 381.479 3.094 20 5 GGBDLO C[N@@H+](CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1)C1CC1 ZINC000540333073 566645540 /nfs/dbraw/zinc/64/55/40/566645540.db2.gz JWFQTONIUPUNCA-UHFFFAOYSA-N 1 2 381.479 3.094 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000425463624 566645827 /nfs/dbraw/zinc/64/58/27/566645827.db2.gz YGVBSSDRPIVHED-CMPLNLGQSA-N 1 2 397.191 3.350 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000425463624 566645830 /nfs/dbraw/zinc/64/58/30/566645830.db2.gz YGVBSSDRPIVHED-CMPLNLGQSA-N 1 2 397.191 3.350 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000425481414 566648813 /nfs/dbraw/zinc/64/88/13/566648813.db2.gz PTTUWDQJYKHXSQ-ZWNOBZJWSA-N 1 2 397.191 3.493 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000425481414 566648819 /nfs/dbraw/zinc/64/88/19/566648819.db2.gz PTTUWDQJYKHXSQ-ZWNOBZJWSA-N 1 2 397.191 3.493 20 5 GGBDLO CCCN(CC[NH+]1CCCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000514751831 566666705 /nfs/dbraw/zinc/66/67/05/566666705.db2.gz LYYQEJHAYDYADG-UHFFFAOYSA-N 1 2 389.543 3.152 20 5 GGBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)c(Cl)c1 ZINC000580386216 566689014 /nfs/dbraw/zinc/68/90/14/566689014.db2.gz PVMUVELCUQNYOJ-UHFFFAOYSA-N 1 2 382.829 3.044 20 5 GGBDLO Cc1c(Br)c(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000450649030 566694620 /nfs/dbraw/zinc/69/46/20/566694620.db2.gz PNQFPEPHBFFZHQ-LBPRGKRZSA-N 1 2 380.246 3.382 20 5 GGBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2cccc(Br)c2)c(F)c1 ZINC000488259231 566717795 /nfs/dbraw/zinc/71/77/95/566717795.db2.gz ZBAJAHJEGJHPCX-UHFFFAOYSA-N 1 2 383.217 3.491 20 5 GGBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2cccc(Br)c2)c(F)c1 ZINC000488259231 566717798 /nfs/dbraw/zinc/71/77/98/566717798.db2.gz ZBAJAHJEGJHPCX-UHFFFAOYSA-N 1 2 383.217 3.491 20 5 GGBDLO Cc1c(Br)c(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000541578925 566734628 /nfs/dbraw/zinc/73/46/28/566734628.db2.gz OUNVPMWGNVLUAR-OLZOCXBDSA-N 1 2 399.289 3.116 20 5 GGBDLO Cc1c(Br)c(NCc2ccccc2-n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000541577111 566734910 /nfs/dbraw/zinc/73/49/10/566734910.db2.gz HISOXNOTAPSJJY-UHFFFAOYSA-N 1 2 388.225 3.280 20 5 GGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609857899 566789682 /nfs/dbraw/zinc/78/96/82/566789682.db2.gz TYPBPHOBHPOULZ-UHFFFAOYSA-N 1 2 376.722 3.279 20 5 GGBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610572265 566842931 /nfs/dbraw/zinc/84/29/31/566842931.db2.gz OPGGZSFMCCLVND-GFCCVEGCSA-N 1 2 379.214 3.031 20 5 GGBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(-c3[nH]cc[nH+]3)c2)s1 ZINC000543048291 566847133 /nfs/dbraw/zinc/84/71/33/566847133.db2.gz YOOMDTSMNCUONZ-UHFFFAOYSA-N 1 2 378.435 3.062 20 5 GGBDLO Cc1cccc2[nH+]c(CNc3ncc([N+](=O)[O-])c(C)c3Br)cn21 ZINC000543435538 566880842 /nfs/dbraw/zinc/88/08/42/566880842.db2.gz JCSRCIHGOYUMON-UHFFFAOYSA-N 1 2 376.214 3.051 20 5 GGBDLO C[N@H+](Cc1ccc(Br)o1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254210 566904224 /nfs/dbraw/zinc/90/42/24/566904224.db2.gz SJBBLCYJFNXUNF-UHFFFAOYSA-N 1 2 383.198 3.354 20 5 GGBDLO C[N@@H+](Cc1ccc(Br)o1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254210 566904228 /nfs/dbraw/zinc/90/42/28/566904228.db2.gz SJBBLCYJFNXUNF-UHFFFAOYSA-N 1 2 383.198 3.354 20 5 GGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612121805 566954894 /nfs/dbraw/zinc/95/48/94/566954894.db2.gz OVLLSDXIMNKHRA-NEPJUHHUSA-N 1 2 380.388 3.031 20 5 GGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612121805 566954906 /nfs/dbraw/zinc/95/49/06/566954906.db2.gz OVLLSDXIMNKHRA-NEPJUHHUSA-N 1 2 380.388 3.031 20 5 GGBDLO Cc1c(Br)c(NCc2ccc(N3CCCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000544395094 566959388 /nfs/dbraw/zinc/95/93/88/566959388.db2.gz PAEZOJGZYQNZJO-UHFFFAOYSA-N 1 2 392.257 3.090 20 5 GGBDLO Cc1c(Br)c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000544394535 566959486 /nfs/dbraw/zinc/95/94/86/566959486.db2.gz CXPGXGVGNBHHIX-GXFFZTMASA-N 1 2 380.246 3.345 20 5 GGBDLO Cc1c(Br)cc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000452337366 566964224 /nfs/dbraw/zinc/96/42/24/566964224.db2.gz ZQHZCMBFODTRAT-UHFFFAOYSA-N 1 2 379.214 3.451 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c[nH+]c2n1CCCC2 ZINC000452335098 566964420 /nfs/dbraw/zinc/96/44/20/566964420.db2.gz PCXFPXGAQYDRPR-UHFFFAOYSA-N 1 2 379.214 3.071 20 5 GGBDLO Cc1cc(Br)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000584333424 567032723 /nfs/dbraw/zinc/03/27/23/567032723.db2.gz ULECAUPMUKJRAF-UHFFFAOYSA-N 1 2 397.298 3.444 20 5 GGBDLO CCc1nn(C)c(NCc2cn3cc(Br)cc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000545344466 567039493 /nfs/dbraw/zinc/03/94/93/567039493.db2.gz HFOXIYHBASADTM-UHFFFAOYSA-N 1 2 393.245 3.221 20 5 GGBDLO Cc1c(NC(=O)Cc2cn3ccccc3[nH+]2)cc(Br)cc1[N+](=O)[O-] ZINC000431176372 567061548 /nfs/dbraw/zinc/06/15/48/567061548.db2.gz CVPYWFQOWNWMQY-UHFFFAOYSA-N 1 2 389.209 3.495 20 5 GGBDLO Cc1ccn2cc(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000431167966 567061841 /nfs/dbraw/zinc/06/18/41/567061841.db2.gz NCYCNFIUHPYIQN-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000566139763 567129663 /nfs/dbraw/zinc/12/96/63/567129663.db2.gz JQYDMFJESFSSDA-ZDUSSCGKSA-N 1 2 399.285 3.375 20 5 GGBDLO O=C(CSc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000546608889 567143434 /nfs/dbraw/zinc/14/34/34/567143434.db2.gz LHWHLIOSINVJPO-UHFFFAOYSA-N 1 2 377.491 3.093 20 5 GGBDLO Cc1cc(Br)cn2cc(CNc3ccc([N+](=O)[O-])c(C)n3)[nH+]c12 ZINC000546757640 567154208 /nfs/dbraw/zinc/15/42/08/567154208.db2.gz DLUZTFXIILCXSC-UHFFFAOYSA-N 1 2 376.214 3.051 20 5 GGBDLO O=[N+]([O-])c1cncc(Br)c1N1CC[NH+](CCc2cccs2)CC1 ZINC000500268955 567310966 /nfs/dbraw/zinc/31/09/66/567310966.db2.gz WDKCMCIUIRYTAO-UHFFFAOYSA-N 1 2 397.298 3.179 20 5 GGBDLO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434908316 567335359 /nfs/dbraw/zinc/33/53/59/567335359.db2.gz ZNWNLUQTJUZBAS-YGRLFVJLSA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434908316 567335363 /nfs/dbraw/zinc/33/53/63/567335363.db2.gz ZNWNLUQTJUZBAS-YGRLFVJLSA-N 1 2 385.251 3.078 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500782876 567343690 /nfs/dbraw/zinc/34/36/90/567343690.db2.gz WZQGTYJOOUFDBH-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000568743202 567353653 /nfs/dbraw/zinc/35/36/53/567353653.db2.gz AJGNJJVGCSCJKJ-ZDUSSCGKSA-N 1 2 397.191 3.493 20 5 GGBDLO CC[N@H+](Cc1ccccc1Br)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000568793812 567356219 /nfs/dbraw/zinc/35/62/19/567356219.db2.gz MLVFUUJDNCERHS-UHFFFAOYSA-N 1 2 392.253 3.478 20 5 GGBDLO CC[N@@H+](Cc1ccccc1Br)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000568793812 567356226 /nfs/dbraw/zinc/35/62/26/567356226.db2.gz MLVFUUJDNCERHS-UHFFFAOYSA-N 1 2 392.253 3.478 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456349532 567365396 /nfs/dbraw/zinc/36/53/96/567365396.db2.gz ADZPXECXTWIRGB-ISVAXAHUSA-N 1 2 379.214 3.298 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456349510 567365689 /nfs/dbraw/zinc/36/56/89/567365689.db2.gz ADZPXECXTWIRGB-AMIZOPFISA-N 1 2 379.214 3.298 20 5 GGBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000549367098 567388505 /nfs/dbraw/zinc/38/85/05/567388505.db2.gz XROCKQMRKSMGDI-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000549367098 567388510 /nfs/dbraw/zinc/38/85/10/567388510.db2.gz XROCKQMRKSMGDI-CYBMUJFWSA-N 1 2 380.388 3.013 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000502104339 567420228 /nfs/dbraw/zinc/42/02/28/567420228.db2.gz IUIPQEFDEFXSJQ-UHFFFAOYSA-N 1 2 393.241 3.201 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000550294030 567438976 /nfs/dbraw/zinc/43/89/76/567438976.db2.gz YPEVTVXJSIAKDH-UHFFFAOYSA-N 1 2 381.230 3.072 20 5 GGBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(Br)c1 ZINC000478186648 567440748 /nfs/dbraw/zinc/44/07/48/567440748.db2.gz YVTXNOOPIQTCKM-UHFFFAOYSA-N 1 2 379.214 3.333 20 5 GGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1SC ZINC000457293018 567453736 /nfs/dbraw/zinc/45/37/36/567453736.db2.gz PBAXKCYIIGRMHY-UHFFFAOYSA-N 1 2 382.467 3.096 20 5 GGBDLO C[NH+](C)Cc1csc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000457314225 567456443 /nfs/dbraw/zinc/45/64/43/567456443.db2.gz NAKNJZGCEIPDRL-UHFFFAOYSA-N 1 2 386.886 3.497 20 5 GGBDLO C[NH+](C)Cc1csc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000457317162 567456721 /nfs/dbraw/zinc/45/67/21/567456721.db2.gz ROBBPHQPDXFFOA-UHFFFAOYSA-N 1 2 384.845 3.174 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457314855 567456771 /nfs/dbraw/zinc/45/67/71/567456771.db2.gz NQYXWFSAPCSTNG-UHFFFAOYSA-N 1 2 399.270 3.436 20 5 GGBDLO Cc1c(Br)c(=O)n(Cc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000478715778 567478479 /nfs/dbraw/zinc/47/84/79/567478479.db2.gz JMPCUXZLWFEANL-UHFFFAOYSA-N 1 2 389.209 3.061 20 5 GGBDLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000594582664 567488892 /nfs/dbraw/zinc/48/88/92/567488892.db2.gz SCXMCOMQJJKGPO-UHFFFAOYSA-N 1 2 384.483 3.002 20 5 GGBDLO C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000479478682 567539212 /nfs/dbraw/zinc/53/92/12/567539212.db2.gz WYQGTKAJADZROW-BONVTDFDSA-N 1 2 378.226 3.235 20 5 GGBDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000479478683 567539606 /nfs/dbraw/zinc/53/96/06/567539606.db2.gz WYQGTKAJADZROW-MEBBXXQBSA-N 1 2 378.226 3.235 20 5 GGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000505585121 567585336 /nfs/dbraw/zinc/58/53/36/567585336.db2.gz LINMBAWAUDFILA-UHFFFAOYSA-N 1 2 392.253 3.385 20 5 GGBDLO O=[N+]([O-])c1cccc(Br)c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000596076452 567607108 /nfs/dbraw/zinc/60/71/08/567607108.db2.gz QWNKRRPPRIRXSO-UHFFFAOYSA-N 1 2 393.241 3.201 20 5 GGBDLO CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480691848 567621247 /nfs/dbraw/zinc/62/12/47/567621247.db2.gz GOXWRYQYKOJNTR-OAHLLOKOSA-N 1 2 394.273 3.272 20 5 GGBDLO Cc1c(Br)c(NCc2ccc[nH+]c2N2CCCC2)ncc1[N+](=O)[O-] ZINC000596356481 567626711 /nfs/dbraw/zinc/62/67/11/567626711.db2.gz HWSPEGYJPIQYAH-UHFFFAOYSA-N 1 2 392.257 3.090 20 5 GGBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])cn2c1 ZINC000460335042 567685125 /nfs/dbraw/zinc/68/51/25/567685125.db2.gz MNJKJWMMPFIABI-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000460979765 567715071 /nfs/dbraw/zinc/71/50/71/567715071.db2.gz MWMUFPHDDNYZAN-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO COc1ccc(Br)c(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])c1 ZINC000507901038 567715142 /nfs/dbraw/zinc/71/51/42/567715142.db2.gz DHVDPLBMJSGDKP-UHFFFAOYSA-N 1 2 397.225 3.370 20 5 GGBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000462072950 567766183 /nfs/dbraw/zinc/76/61/83/567766183.db2.gz UTCYPCBMXUJPPO-INIZCTEOSA-N 1 2 380.491 3.332 20 5 GGBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000462072950 567766185 /nfs/dbraw/zinc/76/61/85/567766185.db2.gz UTCYPCBMXUJPPO-INIZCTEOSA-N 1 2 380.491 3.332 20 5 GGBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555462841 567785329 /nfs/dbraw/zinc/78/53/29/567785329.db2.gz WRPSWWPDFPHYSP-ZDUSSCGKSA-N 1 2 380.388 3.013 20 5 GGBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555462841 567785333 /nfs/dbraw/zinc/78/53/33/567785333.db2.gz WRPSWWPDFPHYSP-ZDUSSCGKSA-N 1 2 380.388 3.013 20 5 GGBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048345747 570240815 /nfs/dbraw/zinc/24/08/15/570240815.db2.gz KMKNZFXPKQJTRR-UHFFFAOYSA-N 1 2 384.436 3.065 20 5 GGBDLO COc1cccc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2[nH+]ccn2C)c1 ZINC000012507639 570823248 /nfs/dbraw/zinc/82/32/48/570823248.db2.gz IREQHSQBGHWIAM-QGZVFWFLSA-N 1 2 381.392 3.248 20 5 GGBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000738358017 598427887 /nfs/dbraw/zinc/42/78/87/598427887.db2.gz JWEZSPVGIHIPLU-UHFFFAOYSA-N 1 2 394.439 3.162 20 5 GGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826498500 608466868 /nfs/dbraw/zinc/46/68/68/608466868.db2.gz XKPRVERCAOQZLA-UHFFFAOYSA-N 1 2 380.383 3.203 20 5 GGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826498500 608466869 /nfs/dbraw/zinc/46/68/69/608466869.db2.gz XKPRVERCAOQZLA-UHFFFAOYSA-N 1 2 380.383 3.203 20 5 GGBDLO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000824262046 608568304 /nfs/dbraw/zinc/56/83/04/608568304.db2.gz VAGMMTSNYDZUBB-UHFFFAOYSA-N 1 2 382.424 3.139 20 5 GGBDLO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000824262046 608568305 /nfs/dbraw/zinc/56/83/05/608568305.db2.gz VAGMMTSNYDZUBB-UHFFFAOYSA-N 1 2 382.424 3.139 20 5 GGBDLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053231878 1406336440 /nfs/dbraw/zinc/33/64/40/1406336440.db2.gz POVRQVLBODWXCM-UHFFFAOYSA-N 1 2 387.367 3.066 20 5 GGBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053231878 1406336456 /nfs/dbraw/zinc/33/64/56/1406336456.db2.gz POVRQVLBODWXCM-UHFFFAOYSA-N 1 2 387.367 3.066 20 5 GGBDLO C[N@@H+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000053286517 1406357095 /nfs/dbraw/zinc/35/70/95/1406357095.db2.gz DTCVHNDXTXVAKY-HXUWFJFHSA-N 1 2 380.448 3.298 20 5 GGBDLO C[N@H+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000053286517 1406357108 /nfs/dbraw/zinc/35/71/08/1406357108.db2.gz DTCVHNDXTXVAKY-HXUWFJFHSA-N 1 2 380.448 3.298 20 5 GGBDLO CCOC(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc([N+](=O)[O-])c1 ZINC000054224700 1406659594 /nfs/dbraw/zinc/65/95/94/1406659594.db2.gz HMGDXQNCDFHFIS-UHFFFAOYSA-N 1 2 398.350 3.349 20 5 GGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000006638562 1398564088 /nfs/dbraw/zinc/56/40/88/1398564088.db2.gz FHTFOSIFQLXYNN-MOTZXUDYSA-N 1 2 394.475 3.253 20 5 GGBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000007973530 1398784328 /nfs/dbraw/zinc/78/43/28/1398784328.db2.gz JQDDLHMTRCAZNW-UHFFFAOYSA-N 1 2 393.827 3.336 20 5 GGBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000007973530 1398784337 /nfs/dbraw/zinc/78/43/37/1398784337.db2.gz JQDDLHMTRCAZNW-UHFFFAOYSA-N 1 2 393.827 3.336 20 5 GGBDLO O=[N+]([O-])c1ccc(NCCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000009335633 1398856709 /nfs/dbraw/zinc/85/67/09/1398856709.db2.gz PXAHJBZOFMJQMB-UHFFFAOYSA-N 1 2 375.392 3.248 20 5 GGBDLO Cc1cc(N2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000011009687 1398943000 /nfs/dbraw/zinc/94/30/00/1398943000.db2.gz MASNUBJSYQOGRE-UHFFFAOYSA-N 1 2 383.452 3.087 20 5 GGBDLO Cc1cc(N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000011009876 1398943039 /nfs/dbraw/zinc/94/30/39/1398943039.db2.gz KPMMOGOHJZUHJQ-UHFFFAOYSA-N 1 2 383.452 3.087 20 5 GGBDLO CC1CC[NH+](Cc2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)CC1 ZINC000014526773 1399109161 /nfs/dbraw/zinc/10/91/61/1399109161.db2.gz DMJJTILXJWCOED-UHFFFAOYSA-N 1 2 390.465 3.301 20 5 GGBDLO C[N@H+](CCOc1ccc(F)cc1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000015101803 1399139386 /nfs/dbraw/zinc/13/93/86/1399139386.db2.gz BDVAJTZIGKKINL-UHFFFAOYSA-N 1 2 381.791 3.337 20 5 GGBDLO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000015101803 1399139389 /nfs/dbraw/zinc/13/93/89/1399139389.db2.gz BDVAJTZIGKKINL-UHFFFAOYSA-N 1 2 381.791 3.337 20 5 GGBDLO C[N@H+](CCOc1ccc(F)cc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000015101373 1399139417 /nfs/dbraw/zinc/13/94/17/1399139417.db2.gz FBBICDBLIYRTPX-UHFFFAOYSA-N 1 2 381.791 3.337 20 5 GGBDLO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000015101373 1399139423 /nfs/dbraw/zinc/13/94/23/1399139423.db2.gz FBBICDBLIYRTPX-UHFFFAOYSA-N 1 2 381.791 3.337 20 5 GGBDLO O=C(c1ccccc1)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000015130024 1399141173 /nfs/dbraw/zinc/14/11/73/1399141173.db2.gz AANIMPXWXLKWFP-IBGZPJMESA-N 1 2 395.459 3.127 20 5 GGBDLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000017286298 1399277270 /nfs/dbraw/zinc/27/72/70/1399277270.db2.gz ZGKLAELASFIECC-OAQYLSRUSA-N 1 2 396.491 3.327 20 5 GGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357873 1399281212 /nfs/dbraw/zinc/28/12/12/1399281212.db2.gz IMINUQKCYUSWEQ-INIZCTEOSA-N 1 2 385.489 3.420 20 5 GGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000018121801 1399302160 /nfs/dbraw/zinc/30/21/60/1399302160.db2.gz XNKUFAKVVHQBEB-UHFFFAOYSA-N 1 2 389.839 3.085 20 5 GGBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020892975 1399355820 /nfs/dbraw/zinc/35/58/20/1399355820.db2.gz PMKPCLVJGLPYHO-UHFFFAOYSA-N 1 2 394.475 3.153 20 5 GGBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289007 1399451327 /nfs/dbraw/zinc/45/13/27/1399451327.db2.gz RPMFPQMSRRKJFW-UHFFFAOYSA-N 1 2 376.438 3.055 20 5 GGBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000023238553 1399542908 /nfs/dbraw/zinc/54/29/08/1399542908.db2.gz JQCZYOPJOCMQQU-HOTGVXAUSA-N 1 2 385.468 3.094 20 5 GGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000023993153 1399594401 /nfs/dbraw/zinc/59/44/01/1399594401.db2.gz TVSOVVZWENSYPZ-SFHVURJKSA-N 1 2 389.839 3.385 20 5 GGBDLO C[N@H+](Cc1ccccc1OC(F)(F)F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000025253721 1399780975 /nfs/dbraw/zinc/78/09/75/1399780975.db2.gz VIJVPWBXZOTAMA-UHFFFAOYSA-N 1 2 383.326 3.224 20 5 GGBDLO C[N@@H+](Cc1ccccc1OC(F)(F)F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000025253721 1399780987 /nfs/dbraw/zinc/78/09/87/1399780987.db2.gz VIJVPWBXZOTAMA-UHFFFAOYSA-N 1 2 383.326 3.224 20 5 GGBDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H](C)O1 ZINC000025407586 1399806176 /nfs/dbraw/zinc/80/61/76/1399806176.db2.gz NLIYYWPVOHSQRF-CHWSQXEVSA-N 1 2 391.493 3.427 20 5 GGBDLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556383 1399819528 /nfs/dbraw/zinc/81/95/28/1399819528.db2.gz IBRLFWFUZHCIBC-QZTJIDSGSA-N 1 2 396.491 3.291 20 5 GGBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000026215875 1399869929 /nfs/dbraw/zinc/86/99/29/1399869929.db2.gz ZRVNNMXSYRSLKI-UHFFFAOYSA-N 1 2 384.823 3.466 20 5 GGBDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000026350487 1399881682 /nfs/dbraw/zinc/88/16/82/1399881682.db2.gz XKILBPYIYBLGBV-OAHLLOKOSA-N 1 2 384.436 3.380 20 5 GGBDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000026350487 1399881683 /nfs/dbraw/zinc/88/16/83/1399881683.db2.gz XKILBPYIYBLGBV-OAHLLOKOSA-N 1 2 384.436 3.380 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000027236342 1400008579 /nfs/dbraw/zinc/00/85/79/1400008579.db2.gz OPHAFAOYMJRXMO-KPKJPENVSA-N 1 2 395.459 3.351 20 5 GGBDLO CC(C)NC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000055755507 1407075620 /nfs/dbraw/zinc/07/56/20/1407075620.db2.gz QNJOKKQCVBUUFW-UHFFFAOYSA-N 1 2 393.403 3.171 20 5 GGBDLO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000028726552 1400189669 /nfs/dbraw/zinc/18/96/69/1400189669.db2.gz PCCKCCXBNDLXJJ-UHFFFAOYSA-N 1 2 387.367 3.066 20 5 GGBDLO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000028726552 1400189670 /nfs/dbraw/zinc/18/96/70/1400189670.db2.gz PCCKCCXBNDLXJJ-UHFFFAOYSA-N 1 2 387.367 3.066 20 5 GGBDLO CC1CC[NH+](Cc2csc(NC(=O)COc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000028934079 1400214069 /nfs/dbraw/zinc/21/40/69/1400214069.db2.gz BHDMCXMVXFQEEW-UHFFFAOYSA-N 1 2 390.465 3.301 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000029553660 1400314146 /nfs/dbraw/zinc/31/41/46/1400314146.db2.gz FGKUVECJLBWWCD-UHFFFAOYSA-N 1 2 395.463 3.120 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029658617 1400331826 /nfs/dbraw/zinc/33/18/26/1400331826.db2.gz XDWBRFWRUHVWCS-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029658617 1400331834 /nfs/dbraw/zinc/33/18/34/1400331834.db2.gz XDWBRFWRUHVWCS-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000029885936 1400371830 /nfs/dbraw/zinc/37/18/30/1400371830.db2.gz GPZGPBYLWBRADL-UHFFFAOYSA-N 1 2 394.387 3.481 20 5 GGBDLO CCOc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])cc1OC ZINC000029913464 1400377056 /nfs/dbraw/zinc/37/70/56/1400377056.db2.gz ZHOXPKLVEYXSHA-UHFFFAOYSA-N 1 2 382.376 3.440 20 5 GGBDLO Cc1c(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cccc1[N+](=O)[O-] 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/nfs/dbraw/zinc/99/51/98/1403995198.db2.gz RSCGYSBIIHJOMK-UHFFFAOYSA-N 1 2 392.209 3.355 20 5 GGBDLO CCC(=O)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000044790733 1404002708 /nfs/dbraw/zinc/00/27/08/1404002708.db2.gz DKKCVRBDKNIMIY-UHFFFAOYSA-N 1 2 379.376 3.381 20 5 GGBDLO O=C(Nc1cccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000046124022 1404305279 /nfs/dbraw/zinc/30/52/79/1404305279.db2.gz YUHARNDUWNEASH-UHFFFAOYSA-N 1 2 392.371 3.348 20 5 GGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000046341784 1404372145 /nfs/dbraw/zinc/37/21/45/1404372145.db2.gz WZHHPOHLRQPLFJ-HZPDHXFCSA-N 1 2 399.447 3.222 20 5 GGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000046345058 1404374865 /nfs/dbraw/zinc/37/48/65/1404374865.db2.gz CAWAIKWRYZFHAQ-HZPDHXFCSA-N 1 2 399.447 3.222 20 5 GGBDLO O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046747349 1404575938 /nfs/dbraw/zinc/57/59/38/1404575938.db2.gz LKIHTKPPLMNARB-UHFFFAOYSA-N 1 2 386.371 3.490 20 5 GGBDLO O=C(NCc1ncc(-c2ccccc2)o1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047092540 1404704004 /nfs/dbraw/zinc/70/40/04/1404704004.db2.gz UGDWRLIBYYHYEI-UHFFFAOYSA-N 1 2 389.371 3.366 20 5 GGBDLO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000047406744 1404828097 /nfs/dbraw/zinc/82/80/97/1404828097.db2.gz OVRFKSWGFOYPNU-MRXNPFEDSA-N 1 2 396.403 3.307 20 5 GGBDLO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000047406744 1404828101 /nfs/dbraw/zinc/82/81/01/1404828101.db2.gz OVRFKSWGFOYPNU-MRXNPFEDSA-N 1 2 396.403 3.307 20 5 GGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000047514785 1404855916 /nfs/dbraw/zinc/85/59/16/1404855916.db2.gz HRFZCYRSJSKVJW-UHFFFAOYSA-N 1 2 382.376 3.440 20 5 GGBDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000047743140 1404915292 /nfs/dbraw/zinc/91/52/92/1404915292.db2.gz GBKFGUSDAQAYSZ-QGZVFWFLSA-N 1 2 382.464 3.158 20 5 GGBDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743409 1404915573 /nfs/dbraw/zinc/91/55/73/1404915573.db2.gz YCVAWPJJUDKOFO-GOSISDBHSA-N 1 2 396.491 3.154 20 5 GGBDLO CC(C)N(C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000047744059 1404916505 /nfs/dbraw/zinc/91/65/05/1404916505.db2.gz DEYSXXWVFYXLEA-UHFFFAOYSA-N 1 2 382.464 3.158 20 5 GGBDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743764 1404916610 /nfs/dbraw/zinc/91/66/10/1404916610.db2.gz AWVAQZKYCQUVPD-IAGOWNOFSA-N 1 2 394.475 3.083 20 5 GGBDLO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744211 1404916670 /nfs/dbraw/zinc/91/66/70/1404916670.db2.gz RPRFPEQBTOYFMA-KRWDZBQOSA-N 1 2 386.496 3.112 20 5 GGBDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743766 1404916957 /nfs/dbraw/zinc/91/69/57/1404916957.db2.gz AWVAQZKYCQUVPD-DLBZAZTESA-N 1 2 394.475 3.083 20 5 GGBDLO CNc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000049934260 1405430246 /nfs/dbraw/zinc/43/02/46/1405430246.db2.gz JABKTWGTXZTEIT-VMPITWQZSA-N 1 2 380.448 3.108 20 5 GGBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc2c(c1)OCCO2 ZINC000051588931 1405835687 /nfs/dbraw/zinc/83/56/87/1405835687.db2.gz OLZQLFMQROOGOE-UHFFFAOYSA-N 1 2 382.376 3.048 20 5 GGBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc2c(c1)OCCO2 ZINC000051588931 1405835688 /nfs/dbraw/zinc/83/56/88/1405835688.db2.gz OLZQLFMQROOGOE-UHFFFAOYSA-N 1 2 382.376 3.048 20 5 GGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000057103922 1407520860 /nfs/dbraw/zinc/52/08/60/1407520860.db2.gz XHTGLWHOBYRFTD-UHFFFAOYSA-N 1 2 386.364 3.279 20 5 GGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000057103922 1407520862 /nfs/dbraw/zinc/52/08/62/1407520862.db2.gz XHTGLWHOBYRFTD-UHFFFAOYSA-N 1 2 386.364 3.279 20 5 GGBDLO COCCOc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057273369 1407576117 /nfs/dbraw/zinc/57/61/17/1407576117.db2.gz QOWUWEOIYKAOKE-UHFFFAOYSA-N 1 2 382.376 3.058 20 5 GGBDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000057449523 1407623315 /nfs/dbraw/zinc/62/33/15/1407623315.db2.gz FOKUSHOXCSUGNY-UHFFFAOYSA-N 1 2 382.464 3.158 20 5 GGBDLO CC[N@H+](CCc1ccccc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821365 1407729990 /nfs/dbraw/zinc/72/99/90/1407729990.db2.gz YPUYJDKJJJBRAO-UHFFFAOYSA-N 1 2 378.432 3.341 20 5 GGBDLO CC[N@@H+](CCc1ccccc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000057821365 1407730005 /nfs/dbraw/zinc/73/00/05/1407730005.db2.gz YPUYJDKJJJBRAO-UHFFFAOYSA-N 1 2 378.432 3.341 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000057845316 1407737441 /nfs/dbraw/zinc/73/74/41/1407737441.db2.gz FIDKELGGQUQHFL-UHFFFAOYSA-N 1 2 399.373 3.123 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nccn1CC(F)(F)F 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RRPHPNKEPMMCOL-WEVVVXLNSA-N 1 2 380.448 3.135 20 5 GGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000063123180 1408306295 /nfs/dbraw/zinc/30/62/95/1408306295.db2.gz RCKUXKGUTHBOKP-UHFFFAOYSA-N 1 2 398.394 3.313 20 5 GGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063659401 1408387906 /nfs/dbraw/zinc/38/79/06/1408387906.db2.gz VDCZVTWDXJATTH-UHFFFAOYSA-N 1 2 379.351 3.331 20 5 GGBDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000176421972 1428314306 /nfs/dbraw/zinc/31/43/06/1428314306.db2.gz MIGQKMIEGASAOT-CYBMUJFWSA-N 1 2 375.425 3.454 20 5 GGBDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000176421972 1428314315 /nfs/dbraw/zinc/31/43/15/1428314315.db2.gz MIGQKMIEGASAOT-CYBMUJFWSA-N 1 2 375.425 3.454 20 5 GGBDLO CCCCOc1ncccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000063821725 1408421436 /nfs/dbraw/zinc/42/14/36/1408421436.db2.gz NTMHKNCGDDRBSR-UHFFFAOYSA-N 1 2 395.419 3.284 20 5 GGBDLO COc1cccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000064400577 1408546253 /nfs/dbraw/zinc/54/62/53/1408546253.db2.gz ZIGLQDWJPNQUEI-SFHVURJKSA-N 1 2 399.447 3.223 20 5 GGBDLO COc1cccc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000064400577 1408546266 /nfs/dbraw/zinc/54/62/66/1408546266.db2.gz ZIGLQDWJPNQUEI-SFHVURJKSA-N 1 2 399.447 3.223 20 5 GGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000065744637 1408722996 /nfs/dbraw/zinc/72/29/96/1408722996.db2.gz DNXMBQCDGKLRNP-UHFFFAOYSA-N 1 2 393.378 3.191 20 5 GGBDLO Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000066372297 1408824836 /nfs/dbraw/zinc/82/48/36/1408824836.db2.gz ADSLLMAUISNGEC-UHFFFAOYSA-N 1 2 383.364 3.102 20 5 GGBDLO O=C(NC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)Oc1ccccc1 ZINC000066795945 1408917512 /nfs/dbraw/zinc/91/75/12/1408917512.db2.gz HPTWNPDZMBQUNN-UHFFFAOYSA-N 1 2 395.419 3.155 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066847407 1408929038 /nfs/dbraw/zinc/92/90/38/1408929038.db2.gz AMSZSKYLRRPDHQ-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066847407 1408929044 /nfs/dbraw/zinc/92/90/44/1408929044.db2.gz AMSZSKYLRRPDHQ-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066847404 1408929203 /nfs/dbraw/zinc/92/92/03/1408929203.db2.gz GLMCGDJUPAKBGA-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066847404 1408929213 /nfs/dbraw/zinc/92/92/13/1408929213.db2.gz GLMCGDJUPAKBGA-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000066849366 1408930674 /nfs/dbraw/zinc/93/06/74/1408930674.db2.gz ZESZTADKJDZEKT-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000066849366 1408930682 /nfs/dbraw/zinc/93/06/82/1408930682.db2.gz ZESZTADKJDZEKT-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899738 1408946779 /nfs/dbraw/zinc/94/67/79/1408946779.db2.gz KWTUNVNXGQAAHU-SFHVURJKSA-N 1 2 397.431 3.450 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899738 1408946783 /nfs/dbraw/zinc/94/67/83/1408946783.db2.gz KWTUNVNXGQAAHU-SFHVURJKSA-N 1 2 397.431 3.450 20 5 GGBDLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000067645970 1409195532 /nfs/dbraw/zinc/19/55/32/1409195532.db2.gz LCPHNJXAGLOFOP-ZDUSSCGKSA-N 1 2 383.383 3.480 20 5 GGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000067827150 1409239110 /nfs/dbraw/zinc/23/91/10/1409239110.db2.gz UHYCOBGLEWPWGJ-QRWLVFNGSA-N 1 2 392.415 3.383 20 5 GGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067990198 1409271439 /nfs/dbraw/zinc/27/14/39/1409271439.db2.gz IIWAZHACUXHBNY-UHFFFAOYSA-N 1 2 376.294 3.128 20 5 GGBDLO O=C(N[C@@H]1CCOc2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068166619 1409321101 /nfs/dbraw/zinc/32/11/01/1409321101.db2.gz QBKIATDZFHQBPR-OAHLLOKOSA-N 1 2 382.351 3.173 20 5 GGBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000068229967 1409335417 /nfs/dbraw/zinc/33/54/17/1409335417.db2.gz ZPIVCOWKCYJXFA-UHFFFAOYSA-N 1 2 380.404 3.161 20 5 GGBDLO Cc1c(C(=O)NCCCCNc2cccc[nH+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000068419700 1409396821 /nfs/dbraw/zinc/39/68/21/1409396821.db2.gz KBKCOYKCOILPQB-UHFFFAOYSA-N 1 2 387.396 3.137 20 5 GGBDLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000069087138 1409561169 /nfs/dbraw/zinc/56/11/69/1409561169.db2.gz PNDVROCJNZBPHC-QGZVFWFLSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000069087138 1409561177 /nfs/dbraw/zinc/56/11/77/1409561177.db2.gz PNDVROCJNZBPHC-QGZVFWFLSA-N 1 2 385.420 3.388 20 5 GGBDLO CCCc1[nH]nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000069373386 1409624206 /nfs/dbraw/zinc/62/42/06/1409624206.db2.gz OFVDIWPXRPKIQP-NSHDSACASA-N 1 2 392.485 3.211 20 5 GGBDLO CCCc1[nH]nc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000069373386 1409624208 /nfs/dbraw/zinc/62/42/08/1409624208.db2.gz OFVDIWPXRPKIQP-NSHDSACASA-N 1 2 392.485 3.211 20 5 GGBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000070448652 1409746344 /nfs/dbraw/zinc/74/63/44/1409746344.db2.gz GOHYDSALQFZUPL-IBGZPJMESA-N 1 2 385.489 3.044 20 5 GGBDLO Cc1ccc(-c2nc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000070724758 1409758852 /nfs/dbraw/zinc/75/88/52/1409758852.db2.gz OMFASCOKQNAPPI-UHFFFAOYSA-N 1 2 389.375 3.126 20 5 GGBDLO Cn1ccnc1C(=O)c1ccc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000078880502 1409941209 /nfs/dbraw/zinc/94/12/09/1409941209.db2.gz ADWJRNJGPKVCLZ-UHFFFAOYSA-N 1 2 394.435 3.259 20 5 GGBDLO C[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000078928058 1409944809 /nfs/dbraw/zinc/94/48/09/1409944809.db2.gz ISZNZXGKKURFPY-CQSZACIVSA-N 1 2 391.431 3.370 20 5 GGBDLO C[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[N@H+]1CCc2ccccc2C1 ZINC000078928058 1409944817 /nfs/dbraw/zinc/94/48/17/1409944817.db2.gz ISZNZXGKKURFPY-CQSZACIVSA-N 1 2 391.431 3.370 20 5 GGBDLO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000091918402 1410092436 /nfs/dbraw/zinc/09/24/36/1410092436.db2.gz PJGFWPFRTMXSEX-UHFFFAOYSA-N 1 2 385.420 3.160 20 5 GGBDLO Cc1cc(F)cc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1[N+](=O)[O-] ZINC000176787284 1428460858 /nfs/dbraw/zinc/46/08/58/1428460858.db2.gz GUHPCUIXHRXNLR-UHFFFAOYSA-N 1 2 386.427 3.042 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000092662649 1410184209 /nfs/dbraw/zinc/18/42/09/1410184209.db2.gz RAEICXWQORWZSR-INIZCTEOSA-N 1 2 386.395 3.356 20 5 GGBDLO COc1ccc(-c2ccc(C[N@H+](CC(N)=O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000093358540 1410238084 /nfs/dbraw/zinc/23/80/84/1410238084.db2.gz JOQZDOGLBXKJEK-UHFFFAOYSA-N 1 2 395.415 3.351 20 5 GGBDLO COc1ccc(-c2ccc(C[N@@H+](CC(N)=O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000093358540 1410238091 /nfs/dbraw/zinc/23/80/91/1410238091.db2.gz JOQZDOGLBXKJEK-UHFFFAOYSA-N 1 2 395.415 3.351 20 5 GGBDLO COc1ccc([C@H](CO)[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000093415836 1410244662 /nfs/dbraw/zinc/24/46/62/1410244662.db2.gz MTHWVZXKPGNEID-INIZCTEOSA-N 1 2 382.363 3.370 20 5 GGBDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000093415836 1410244665 /nfs/dbraw/zinc/24/46/65/1410244665.db2.gz MTHWVZXKPGNEID-INIZCTEOSA-N 1 2 382.363 3.370 20 5 GGBDLO O=C1CCCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093741842 1410263007 /nfs/dbraw/zinc/26/30/07/1410263007.db2.gz KHQPCIJZOLUGAE-UHFFFAOYSA-N 1 2 383.395 3.173 20 5 GGBDLO C[C@@H](N1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000093882678 1410279564 /nfs/dbraw/zinc/27/95/64/1410279564.db2.gz YVAXQPXEEICHEY-CYBMUJFWSA-N 1 2 397.401 3.064 20 5 GGBDLO CN(c1ccccc1)C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000176819879 1428483015 /nfs/dbraw/zinc/48/30/15/1428483015.db2.gz IWNNQKLCBFXCTH-UHFFFAOYSA-N 1 2 382.420 3.061 20 5 GGBDLO CCn1cnnc1C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000101592787 1410474725 /nfs/dbraw/zinc/47/47/25/1410474725.db2.gz MAEGXKVUTVAIJA-UHFFFAOYSA-N 1 2 397.435 3.084 20 5 GGBDLO COc1ccc(-c2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000102420869 1410626242 /nfs/dbraw/zinc/62/62/42/1410626242.db2.gz CIOZQGFVDGJXBB-IBGZPJMESA-N 1 2 381.388 3.180 20 5 GGBDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000102794504 1410759683 /nfs/dbraw/zinc/75/96/83/1410759683.db2.gz IUOJTGWTDQFJLU-UHFFFAOYSA-N 1 2 384.436 3.262 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000102845058 1410798235 /nfs/dbraw/zinc/79/82/35/1410798235.db2.gz BJHRMCWDNCKEJO-INIZCTEOSA-N 1 2 384.436 3.118 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000102845058 1410798249 /nfs/dbraw/zinc/79/82/49/1410798249.db2.gz BJHRMCWDNCKEJO-INIZCTEOSA-N 1 2 384.436 3.118 20 5 GGBDLO Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000102859986 1410801991 /nfs/dbraw/zinc/80/19/91/1410801991.db2.gz QOKNZBRFYYYJJO-GOSISDBHSA-N 1 2 397.475 3.266 20 5 GGBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)s1 ZINC000103471869 1410861874 /nfs/dbraw/zinc/86/18/74/1410861874.db2.gz AMBZVXRDLBAMHC-UHFFFAOYSA-N 1 2 377.441 3.498 20 5 GGBDLO O=C(OCc1nc(-c2ccsc2)no1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000103984276 1410880583 /nfs/dbraw/zinc/88/05/83/1410880583.db2.gz QLHLDPRWQMOXJN-UHFFFAOYSA-N 1 2 397.372 3.249 20 5 GGBDLO CCOC(=O)c1ccccc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000105968749 1411135528 /nfs/dbraw/zinc/13/55/28/1411135528.db2.gz MWPIZKQRPLJHII-UHFFFAOYSA-N 1 2 394.387 3.234 20 5 GGBDLO Cc1cnn(C[C@H]2C[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)c1 ZINC000106198828 1411179082 /nfs/dbraw/zinc/17/90/82/1411179082.db2.gz APYSHYXBFSFPFL-LJQANCHMSA-N 1 2 389.455 3.352 20 5 GGBDLO Cc1cnn(C[C@H]2C[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)c1 ZINC000106198828 1411179097 /nfs/dbraw/zinc/17/90/97/1411179097.db2.gz APYSHYXBFSFPFL-LJQANCHMSA-N 1 2 389.455 3.352 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106875866 1411315135 /nfs/dbraw/zinc/31/51/35/1411315135.db2.gz VLRFRNONGCFXPW-NSHDSACASA-N 1 2 378.454 3.308 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106875866 1411315144 /nfs/dbraw/zinc/31/51/44/1411315144.db2.gz VLRFRNONGCFXPW-NSHDSACASA-N 1 2 378.454 3.308 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000106877976 1411315405 /nfs/dbraw/zinc/31/54/05/1411315405.db2.gz ACZWVMKSULCIBU-LLVKDONJSA-N 1 2 378.454 3.308 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000106877976 1411315411 /nfs/dbraw/zinc/31/54/11/1411315411.db2.gz ACZWVMKSULCIBU-LLVKDONJSA-N 1 2 378.454 3.308 20 5 GGBDLO COc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000107179053 1411347248 /nfs/dbraw/zinc/34/72/48/1411347248.db2.gz VOBCAXFXXZQNOC-UHFFFAOYSA-N 1 2 384.436 3.309 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000107179021 1411347674 /nfs/dbraw/zinc/34/76/74/1411347674.db2.gz BTWGDYFVJFOACO-UHFFFAOYSA-N 1 2 399.407 3.208 20 5 GGBDLO COc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)ccc1[N+](=O)[O-] ZINC000107180258 1411348053 /nfs/dbraw/zinc/34/80/53/1411348053.db2.gz IELVBPNCSDXIGK-UHFFFAOYSA-N 1 2 384.436 3.309 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000107275959 1411357530 /nfs/dbraw/zinc/35/75/30/1411357530.db2.gz BZQLAAUDVQDKLR-UHFFFAOYSA-N 1 2 394.435 3.177 20 5 GGBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000107355342 1411364712 /nfs/dbraw/zinc/36/47/12/1411364712.db2.gz KDJDGQAOPZDTJJ-UHFFFAOYSA-N 1 2 383.452 3.191 20 5 GGBDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177039215 1428563999 /nfs/dbraw/zinc/56/39/99/1428563999.db2.gz OGJLSSRXNJLANT-CQSZACIVSA-N 1 2 399.382 3.271 20 5 GGBDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177039215 1428564003 /nfs/dbraw/zinc/56/40/03/1428564003.db2.gz OGJLSSRXNJLANT-CQSZACIVSA-N 1 2 399.382 3.271 20 5 GGBDLO O=C(Cc1ccccc1Cl)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109168729 1411700376 /nfs/dbraw/zinc/70/03/76/1411700376.db2.gz XCPRLDBQALROKL-UHFFFAOYSA-N 1 2 387.867 3.178 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C ZINC000109464884 1411769655 /nfs/dbraw/zinc/76/96/55/1411769655.db2.gz VLIANACVPKLDLQ-UHFFFAOYSA-N 1 2 398.463 3.488 20 5 GGBDLO O=[N+]([O-])c1ccc(OCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000109582519 1411794794 /nfs/dbraw/zinc/79/47/94/1411794794.db2.gz RAQGVICPMWDXJG-UHFFFAOYSA-N 1 2 396.403 3.056 20 5 GGBDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000110036931 1411826783 /nfs/dbraw/zinc/82/67/83/1411826783.db2.gz HSFODOFIXABKNA-UHFFFAOYSA-N 1 2 384.436 3.118 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000110122275 1411832496 /nfs/dbraw/zinc/83/24/96/1411832496.db2.gz QBTCQANSKWNKPO-UHFFFAOYSA-N 1 2 376.369 3.029 20 5 GGBDLO O=C(NCCc1nc2c(s1)CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000110429118 1411850288 /nfs/dbraw/zinc/85/02/88/1411850288.db2.gz UXSRFHMMXDDZNO-UHFFFAOYSA-N 1 2 397.460 3.088 20 5 GGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000111283457 1411899609 /nfs/dbraw/zinc/89/96/09/1411899609.db2.gz XCGBESOSEGEQFX-HXUWFJFHSA-N 1 2 393.447 3.412 20 5 GGBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000111283457 1411899611 /nfs/dbraw/zinc/89/96/11/1411899611.db2.gz XCGBESOSEGEQFX-HXUWFJFHSA-N 1 2 393.447 3.412 20 5 GGBDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000111304409 1411904088 /nfs/dbraw/zinc/90/40/88/1411904088.db2.gz UMGCWMUBQABLFW-UHFFFAOYSA-N 1 2 398.463 3.427 20 5 GGBDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000111375677 1411933086 /nfs/dbraw/zinc/93/30/86/1411933086.db2.gz FMAAIBYJNOLGAH-QWRGUYRKSA-N 1 2 378.454 3.300 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177196700 1428626268 /nfs/dbraw/zinc/62/62/68/1428626268.db2.gz BNLQWECCHLCBBH-RDJZCZTQSA-N 1 2 379.482 3.292 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177196700 1428626274 /nfs/dbraw/zinc/62/62/74/1428626274.db2.gz BNLQWECCHLCBBH-RDJZCZTQSA-N 1 2 379.482 3.292 20 5 GGBDLO CNC(=O)c1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000113317759 1412291611 /nfs/dbraw/zinc/29/16/11/1412291611.db2.gz QDWVPRDMQZDSPI-UHFFFAOYSA-N 1 2 382.445 3.368 20 5 GGBDLO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccco1 ZINC000113341280 1412295217 /nfs/dbraw/zinc/29/52/17/1412295217.db2.gz VCCVTEKJYBQACM-GFCCVEGCSA-N 1 2 386.433 3.106 20 5 GGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000114282548 1412401308 /nfs/dbraw/zinc/40/13/08/1412401308.db2.gz MFRFVSCZNYQJLW-SFHVURJKSA-N 1 2 376.416 3.410 20 5 GGBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000115826962 1412800055 /nfs/dbraw/zinc/80/00/55/1412800055.db2.gz LVAHTNSXMPUKFQ-UHFFFAOYSA-N 1 2 384.367 3.005 20 5 GGBDLO COc1ccccc1C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000116087987 1412830293 /nfs/dbraw/zinc/83/02/93/1412830293.db2.gz XZTLAUHDHTXQFH-UHFFFAOYSA-N 1 2 394.431 3.497 20 5 GGBDLO O=C(NC1(c2nccs2)CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000116105256 1412832755 /nfs/dbraw/zinc/83/27/55/1412832755.db2.gz XCWVIFYTLKLTDV-UHFFFAOYSA-N 1 2 383.433 3.436 20 5 GGBDLO O=C(COc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000177328924 1428692151 /nfs/dbraw/zinc/69/21/51/1428692151.db2.gz NWONDZIMFIGMQL-UHFFFAOYSA-N 1 2 395.868 3.033 20 5 GGBDLO Cc1c(C[NH2+][C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000177374593 1428708990 /nfs/dbraw/zinc/70/89/90/1428708990.db2.gz FSZGASMCPOSPIY-QGZVFWFLSA-N 1 2 381.354 3.412 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118836821 1413240354 /nfs/dbraw/zinc/24/03/54/1413240354.db2.gz NOIALQQYSLXIKJ-KRWDZBQOSA-N 1 2 397.479 3.006 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118836823 1413240662 /nfs/dbraw/zinc/24/06/62/1413240662.db2.gz NOIALQQYSLXIKJ-QGZVFWFLSA-N 1 2 397.479 3.006 20 5 GGBDLO CCn1c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2c1cccc2F ZINC000118866255 1413252793 /nfs/dbraw/zinc/25/27/93/1413252793.db2.gz WMMLVHMITHQAKU-CYBMUJFWSA-N 1 2 384.415 3.185 20 5 GGBDLO CCn1c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2c1cccc2F ZINC000118866255 1413252799 /nfs/dbraw/zinc/25/27/99/1413252799.db2.gz WMMLVHMITHQAKU-CYBMUJFWSA-N 1 2 384.415 3.185 20 5 GGBDLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866941 1413252858 /nfs/dbraw/zinc/25/28/58/1413252858.db2.gz WGQSAAFUTKQZFW-RYUDHWBXSA-N 1 2 386.437 3.349 20 5 GGBDLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866941 1413252870 /nfs/dbraw/zinc/25/28/70/1413252870.db2.gz WGQSAAFUTKQZFW-RYUDHWBXSA-N 1 2 386.437 3.349 20 5 GGBDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000118866401 1413253363 /nfs/dbraw/zinc/25/33/63/1413253363.db2.gz MZDYFAVVWPNTPW-AWEZNQCLSA-N 1 2 389.843 3.077 20 5 GGBDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000118866401 1413253377 /nfs/dbraw/zinc/25/33/77/1413253377.db2.gz MZDYFAVVWPNTPW-AWEZNQCLSA-N 1 2 389.843 3.077 20 5 GGBDLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866723 1413253418 /nfs/dbraw/zinc/25/34/18/1413253418.db2.gz SJCRRRMRUNEEBI-RYUDHWBXSA-N 1 2 386.437 3.349 20 5 GGBDLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866723 1413253432 /nfs/dbraw/zinc/25/34/32/1413253432.db2.gz SJCRRRMRUNEEBI-RYUDHWBXSA-N 1 2 386.437 3.349 20 5 GGBDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000177409958 1428723905 /nfs/dbraw/zinc/72/39/05/1428723905.db2.gz QYLJELSGPLAWMH-SCLBCKFNSA-N 1 2 396.403 3.285 20 5 GGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000119980594 1413640284 /nfs/dbraw/zinc/64/02/84/1413640284.db2.gz ZCCUVKPWCBFGNH-INIZCTEOSA-N 1 2 385.468 3.002 20 5 GGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120046207 1413666396 /nfs/dbraw/zinc/66/63/96/1413666396.db2.gz HASVRFDGKUAFMR-HUUCEWRRSA-N 1 2 388.493 3.290 20 5 GGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120046466 1413666592 /nfs/dbraw/zinc/66/65/92/1413666592.db2.gz HASVRFDGKUAFMR-CABCVRRESA-N 1 2 388.493 3.290 20 5 GGBDLO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120140641 1413703381 /nfs/dbraw/zinc/70/33/81/1413703381.db2.gz DLVOAOPSJUGIAT-HZPDHXFCSA-N 1 2 385.468 3.362 20 5 GGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120691142 1413876216 /nfs/dbraw/zinc/87/62/16/1413876216.db2.gz UPVWSCTWVBZODI-DOMZBBRYSA-N 1 2 391.811 3.090 20 5 GGBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120691471 1413876285 /nfs/dbraw/zinc/87/62/85/1413876285.db2.gz UPVWSCTWVBZODI-IUODEOHRSA-N 1 2 391.811 3.090 20 5 GGBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000121114290 1414012436 /nfs/dbraw/zinc/01/24/36/1414012436.db2.gz PVJQZRRMEOVSKR-SUMWQHHRSA-N 1 2 375.450 3.447 20 5 GGBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000121114290 1414012441 /nfs/dbraw/zinc/01/24/41/1414012441.db2.gz PVJQZRRMEOVSKR-SUMWQHHRSA-N 1 2 375.450 3.447 20 5 GGBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121181094 1414035833 /nfs/dbraw/zinc/03/58/33/1414035833.db2.gz JNFQGHCRJKVYKI-CYBMUJFWSA-N 1 2 381.310 3.302 20 5 GGBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000121662017 1414216216 /nfs/dbraw/zinc/21/62/16/1414216216.db2.gz QBYGUPZBAIFNBJ-LBPRGKRZSA-N 1 2 393.469 3.253 20 5 GGBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000121662017 1414216220 /nfs/dbraw/zinc/21/62/20/1414216220.db2.gz QBYGUPZBAIFNBJ-LBPRGKRZSA-N 1 2 393.469 3.253 20 5 GGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000121731628 1414239043 /nfs/dbraw/zinc/23/90/43/1414239043.db2.gz PTCUVLZAPZXFBF-WMZOPIPTSA-N 1 2 392.477 3.250 20 5 GGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000121731628 1414239047 /nfs/dbraw/zinc/23/90/47/1414239047.db2.gz PTCUVLZAPZXFBF-WMZOPIPTSA-N 1 2 392.477 3.250 20 5 GGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121731493 1414239102 /nfs/dbraw/zinc/23/91/02/1414239102.db2.gz PTCUVLZAPZXFBF-FUHWJXTLSA-N 1 2 392.477 3.250 20 5 GGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121731493 1414239105 /nfs/dbraw/zinc/23/91/05/1414239105.db2.gz PTCUVLZAPZXFBF-FUHWJXTLSA-N 1 2 392.477 3.250 20 5 GGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000121731332 1414239168 /nfs/dbraw/zinc/23/91/68/1414239168.db2.gz PTCUVLZAPZXFBF-AEFFLSMTSA-N 1 2 392.477 3.250 20 5 GGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000121731332 1414239171 /nfs/dbraw/zinc/23/91/71/1414239171.db2.gz PTCUVLZAPZXFBF-AEFFLSMTSA-N 1 2 392.477 3.250 20 5 GGBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000121886713 1414291540 /nfs/dbraw/zinc/29/15/40/1414291540.db2.gz PDGIFMITQYHNTO-FNORWQNLSA-N 1 2 377.448 3.074 20 5 GGBDLO CC[NH+](CC)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccco1 ZINC000122074442 1414356009 /nfs/dbraw/zinc/35/60/09/1414356009.db2.gz AAGINONAXYOXTJ-AWEZNQCLSA-N 1 2 381.454 3.086 20 5 GGBDLO Cc1cc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc([N+](=O)[O-])c1 ZINC000122416478 1414453473 /nfs/dbraw/zinc/45/34/73/1414453473.db2.gz LCRYSAIOXFPDAJ-UHFFFAOYSA-N 1 2 383.452 3.087 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122740337 1414553156 /nfs/dbraw/zinc/55/31/56/1414553156.db2.gz XQMRAIUKPFANQA-UHFFFAOYSA-N 1 2 385.424 3.310 20 5 GGBDLO CN1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000122894382 1414590554 /nfs/dbraw/zinc/59/05/54/1414590554.db2.gz HZNRGLAQVGZYTC-UHFFFAOYSA-N 1 2 395.394 3.406 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000122975848 1414611052 /nfs/dbraw/zinc/61/10/52/1414611052.db2.gz ZJWMJHVEZXNTQY-UHFFFAOYSA-N 1 2 395.419 3.212 20 5 GGBDLO C[C@@]1(c2ccccc2)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000177700001 1428836949 /nfs/dbraw/zinc/83/69/49/1428836949.db2.gz YYNMZWOWFUZHFO-NRFANRHFSA-N 1 2 392.415 3.168 20 5 GGBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C ZINC000123723787 1414815708 /nfs/dbraw/zinc/81/57/08/1414815708.db2.gz BPNNMVIMOINZKL-UHFFFAOYSA-N 1 2 388.380 3.070 20 5 GGBDLO CCc1nc(CN2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)no1 ZINC000123950282 1414855961 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KFWYZYVLYWPOMT-UHFFFAOYSA-N 1 2 383.448 3.225 20 5 GGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124683074 1415020949 /nfs/dbraw/zinc/02/09/49/1415020949.db2.gz KCJHFMFWRALXSR-XHDPSFHLSA-N 1 2 398.872 3.025 20 5 GGBDLO C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000125889781 1415305963 /nfs/dbraw/zinc/30/59/63/1415305963.db2.gz RQROCYKSGPKKNL-HNAYVOBHSA-N 1 2 383.452 3.115 20 5 GGBDLO Cc1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126161777 1415373965 /nfs/dbraw/zinc/37/39/65/1415373965.db2.gz RRFWJAGTCNXOSR-BDJLRTHQSA-N 1 2 387.396 3.040 20 5 GGBDLO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CS(=O)(=O)CC ZINC000126362215 1415426714 /nfs/dbraw/zinc/42/67/14/1415426714.db2.gz OZTSYSFZQWHZSH-AWEZNQCLSA-N 1 2 380.466 3.500 20 5 GGBDLO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CS(=O)(=O)CC ZINC000126362215 1415426717 /nfs/dbraw/zinc/42/67/17/1415426717.db2.gz OZTSYSFZQWHZSH-AWEZNQCLSA-N 1 2 380.466 3.500 20 5 GGBDLO C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126539610 1415483208 /nfs/dbraw/zinc/48/32/08/1415483208.db2.gz ZTKRQLPGPXDEHJ-CZUORRHYSA-N 1 2 392.843 3.323 20 5 GGBDLO C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126539825 1415483900 /nfs/dbraw/zinc/48/39/00/1415483900.db2.gz ZTKRQLPGPXDEHJ-XJKSGUPXSA-N 1 2 392.843 3.323 20 5 GGBDLO Cc1c([N+](=O)[O-])cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000126739684 1415543915 /nfs/dbraw/zinc/54/39/15/1415543915.db2.gz BDDMXJMSBZETGC-UHFFFAOYSA-N 1 2 399.407 3.127 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000126883396 1415594592 /nfs/dbraw/zinc/59/45/92/1415594592.db2.gz OFIAUUBRXWFMPS-SFHVURJKSA-N 1 2 376.416 3.266 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000126883396 1415594596 /nfs/dbraw/zinc/59/45/96/1415594596.db2.gz OFIAUUBRXWFMPS-SFHVURJKSA-N 1 2 376.416 3.266 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000126920956 1415609884 /nfs/dbraw/zinc/60/98/84/1415609884.db2.gz FKYGDCCINSGTOO-GJZGRUSLSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000126920726 1415610064 /nfs/dbraw/zinc/61/00/64/1415610064.db2.gz FKYGDCCINSGTOO-GASCZTMLSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000126920726 1415610074 /nfs/dbraw/zinc/61/00/74/1415610074.db2.gz FKYGDCCINSGTOO-GASCZTMLSA-N 1 2 399.447 3.465 20 5 GGBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000178067935 1428966778 /nfs/dbraw/zinc/96/67/78/1428966778.db2.gz SEPAKUIZUOVRDM-UHFFFAOYSA-N 1 2 393.447 3.409 20 5 GGBDLO COc1ccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000127100005 1415660489 /nfs/dbraw/zinc/66/04/89/1415660489.db2.gz ZIZCKSXHODLLBH-UHFFFAOYSA-N 1 2 382.376 3.074 20 5 GGBDLO COc1cc(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000128647783 1416033393 /nfs/dbraw/zinc/03/33/93/1416033393.db2.gz HTNUSITYFXPTLA-UHFFFAOYSA-N 1 2 385.420 3.221 20 5 GGBDLO COc1cc(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000128647783 1416033399 /nfs/dbraw/zinc/03/33/99/1416033399.db2.gz HTNUSITYFXPTLA-UHFFFAOYSA-N 1 2 385.420 3.221 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000129709597 1416252160 /nfs/dbraw/zinc/25/21/60/1416252160.db2.gz IPUQOIKBHMDCIU-UHFFFAOYSA-N 1 2 391.815 3.432 20 5 GGBDLO CS(=O)(=O)c1cccc(OCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130069684 1416311910 /nfs/dbraw/zinc/31/19/10/1416311910.db2.gz SXVVJSLGMJSAHM-UHFFFAOYSA-N 1 2 390.461 3.042 20 5 GGBDLO CS(=O)(=O)c1cccc(OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130069684 1416311917 /nfs/dbraw/zinc/31/19/17/1416311917.db2.gz SXVVJSLGMJSAHM-UHFFFAOYSA-N 1 2 390.461 3.042 20 5 GGBDLO COCc1ccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130236676 1416344443 /nfs/dbraw/zinc/34/44/43/1416344443.db2.gz XORFPYIWCAKOAK-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO COCc1ccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130236676 1416344448 /nfs/dbraw/zinc/34/44/48/1416344448.db2.gz XORFPYIWCAKOAK-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130470537 1416383201 /nfs/dbraw/zinc/38/32/01/1416383201.db2.gz NUXZGAZLVBYPDV-UHFFFAOYSA-N 1 2 385.468 3.229 20 5 GGBDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130470537 1416383204 /nfs/dbraw/zinc/38/32/04/1416383204.db2.gz NUXZGAZLVBYPDV-UHFFFAOYSA-N 1 2 385.468 3.229 20 5 GGBDLO CCOC(=O)N(C)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000130879446 1416473930 /nfs/dbraw/zinc/47/39/30/1416473930.db2.gz KNEKCQMLRWWVNX-UHFFFAOYSA-N 1 2 387.383 3.249 20 5 GGBDLO Cc1nsc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000130966196 1416488777 /nfs/dbraw/zinc/48/87/77/1416488777.db2.gz CSGFCELUJIWMLJ-UHFFFAOYSA-N 1 2 385.449 3.337 20 5 GGBDLO COc1ccc(OC)c(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130991923 1416492673 /nfs/dbraw/zinc/49/26/73/1416492673.db2.gz IKQYSXWGWSDIKZ-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO COc1ccc(OC)c(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130991923 1416492676 /nfs/dbraw/zinc/49/26/76/1416492676.db2.gz IKQYSXWGWSDIKZ-UHFFFAOYSA-N 1 2 385.420 3.215 20 5 GGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000131096784 1416507976 /nfs/dbraw/zinc/50/79/76/1416507976.db2.gz BSCKFQWBDTYOKQ-UHFFFAOYSA-N 1 2 387.461 3.401 20 5 GGBDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000131385551 1416549029 /nfs/dbraw/zinc/54/90/29/1416549029.db2.gz WHYVJZLLIDMCLK-QZTJIDSGSA-N 1 2 385.420 3.277 20 5 GGBDLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000131385551 1416549033 /nfs/dbraw/zinc/54/90/33/1416549033.db2.gz WHYVJZLLIDMCLK-QZTJIDSGSA-N 1 2 385.420 3.277 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000131753822 1416612058 /nfs/dbraw/zinc/61/20/58/1416612058.db2.gz GGCLLNIFUFNHIN-QGZVFWFLSA-N 1 2 395.419 3.034 20 5 GGBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000131753822 1416612065 /nfs/dbraw/zinc/61/20/65/1416612065.db2.gz GGCLLNIFUFNHIN-QGZVFWFLSA-N 1 2 395.419 3.034 20 5 GGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000132139445 1416705778 /nfs/dbraw/zinc/70/57/78/1416705778.db2.gz OOOBKKJNOHMKIT-ZIAGYGMSSA-N 1 2 384.436 3.039 20 5 GGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000132139258 1416705897 /nfs/dbraw/zinc/70/58/97/1416705897.db2.gz OOOBKKJNOHMKIT-KBPBESRZSA-N 1 2 384.436 3.039 20 5 GGBDLO CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000132459714 1416764989 /nfs/dbraw/zinc/76/49/89/1416764989.db2.gz MOSYDFSOFBAYRC-ZWKOTPCHSA-N 1 2 384.436 3.200 20 5 GGBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133237970 1416868896 /nfs/dbraw/zinc/86/88/96/1416868896.db2.gz FIYLARXWGRBXKQ-UHFFFAOYSA-N 1 2 383.452 3.044 20 5 GGBDLO COc1cc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000133875735 1416985004 /nfs/dbraw/zinc/98/50/04/1416985004.db2.gz XJGFEDVBUSFVRY-MRXNPFEDSA-N 1 2 394.374 3.297 20 5 GGBDLO COc1cc(C[N@H+]2CCc3ccccc3[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000133875735 1416985019 /nfs/dbraw/zinc/98/50/19/1416985019.db2.gz XJGFEDVBUSFVRY-MRXNPFEDSA-N 1 2 394.374 3.297 20 5 GGBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000134121480 1417024990 /nfs/dbraw/zinc/02/49/90/1417024990.db2.gz MWLIAAJBXQFKQD-MLGOLLRUSA-N 1 2 376.388 3.195 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134288775 1417049940 /nfs/dbraw/zinc/04/99/40/1417049940.db2.gz MIJHJDJOQUEQHR-UHFFFAOYSA-N 1 2 391.855 3.380 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134288775 1417049946 /nfs/dbraw/zinc/04/99/46/1417049946.db2.gz MIJHJDJOQUEQHR-UHFFFAOYSA-N 1 2 391.855 3.380 20 5 GGBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134507796 1417078361 /nfs/dbraw/zinc/07/83/61/1417078361.db2.gz DTTNRAJVTSHFMV-UHFFFAOYSA-N 1 2 389.839 3.010 20 5 GGBDLO COc1cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OC(F)F ZINC000135601956 1417244032 /nfs/dbraw/zinc/24/40/32/1417244032.db2.gz KZBBNVNCLGTBDN-ZDUSSCGKSA-N 1 2 396.394 3.448 20 5 GGBDLO COc1cc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])cc1OC(F)F ZINC000135601956 1417244040 /nfs/dbraw/zinc/24/40/40/1417244040.db2.gz KZBBNVNCLGTBDN-ZDUSSCGKSA-N 1 2 396.394 3.448 20 5 GGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000136282295 1417307244 /nfs/dbraw/zinc/30/72/44/1417307244.db2.gz BZOMTRGZPLWJKZ-UHFFFAOYSA-N 1 2 384.417 3.117 20 5 GGBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000136817467 1417347802 /nfs/dbraw/zinc/34/78/02/1417347802.db2.gz GXAYCFKAPDEJDJ-LJQANCHMSA-N 1 2 375.856 3.099 20 5 GGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000136817518 1417347925 /nfs/dbraw/zinc/34/79/25/1417347925.db2.gz GXAYCFKAPDEJDJ-IBGZPJMESA-N 1 2 375.856 3.099 20 5 GGBDLO C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178824358 1429184024 /nfs/dbraw/zinc/18/40/24/1429184024.db2.gz USTRCPJIBRAWBY-WBMJQRKESA-N 1 2 386.433 3.084 20 5 GGBDLO C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178824369 1429184362 /nfs/dbraw/zinc/18/43/62/1429184362.db2.gz USTRCPJIBRAWBY-BLLLJJGKSA-N 1 2 386.433 3.084 20 5 GGBDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000140801112 1417516436 /nfs/dbraw/zinc/51/64/36/1417516436.db2.gz WRJHMVPPQKOUQE-OAQYLSRUSA-N 1 2 397.475 3.122 20 5 GGBDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000140801112 1417516442 /nfs/dbraw/zinc/51/64/42/1417516442.db2.gz WRJHMVPPQKOUQE-OAQYLSRUSA-N 1 2 397.475 3.122 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000150773460 1417804277 /nfs/dbraw/zinc/80/42/77/1417804277.db2.gz PEJQYOABYUWEPS-UHFFFAOYSA-N 1 2 384.367 3.191 20 5 GGBDLO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151964049 1418107179 /nfs/dbraw/zinc/10/71/79/1418107179.db2.gz OCTPGZRRMBNAOR-BBRMVZONSA-N 1 2 393.827 3.368 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151964049 1418107185 /nfs/dbraw/zinc/10/71/85/1418107185.db2.gz OCTPGZRRMBNAOR-BBRMVZONSA-N 1 2 393.827 3.368 20 5 GGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000179157344 1429280583 /nfs/dbraw/zinc/28/05/83/1429280583.db2.gz HVTGSEPBYLMAEK-UHFFFAOYSA-N 1 2 375.388 3.121 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000179516285 1429405109 /nfs/dbraw/zinc/40/51/09/1429405109.db2.gz TVSZSDTUIDOBQP-ZFWWWQNUSA-N 1 2 398.467 3.105 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000179516285 1429405114 /nfs/dbraw/zinc/40/51/14/1429405114.db2.gz TVSZSDTUIDOBQP-ZFWWWQNUSA-N 1 2 398.467 3.105 20 5 GGBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152494939 1422120538 /nfs/dbraw/zinc/12/05/38/1422120538.db2.gz MZNUHSNEBHXULV-CQSZACIVSA-N 1 2 395.444 3.122 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000152559788 1422144214 /nfs/dbraw/zinc/14/42/14/1422144214.db2.gz XUGLZDYIXDFVTJ-UHFFFAOYSA-N 1 2 389.839 3.085 20 5 GGBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153024951 1422330707 /nfs/dbraw/zinc/33/07/07/1422330707.db2.gz MFQGMCRPZAJGLD-AWEZNQCLSA-N 1 2 395.444 3.122 20 5 GGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000153201081 1422390842 /nfs/dbraw/zinc/39/08/42/1422390842.db2.gz BRKYKASIILMPSX-UHFFFAOYSA-N 1 2 378.432 3.131 20 5 GGBDLO COc1ccc(CN(C)C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153227802 1422404046 /nfs/dbraw/zinc/40/40/46/1422404046.db2.gz GFGOEXZLWQSPRP-UHFFFAOYSA-N 1 2 383.448 3.226 20 5 GGBDLO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153227802 1422404052 /nfs/dbraw/zinc/40/40/52/1422404052.db2.gz GFGOEXZLWQSPRP-UHFFFAOYSA-N 1 2 383.448 3.226 20 5 GGBDLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229440 1422404933 /nfs/dbraw/zinc/40/49/33/1422404933.db2.gz YTQZHJHUVKPBGT-OAHLLOKOSA-N 1 2 383.448 3.445 20 5 GGBDLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229440 1422404946 /nfs/dbraw/zinc/40/49/46/1422404946.db2.gz YTQZHJHUVKPBGT-OAHLLOKOSA-N 1 2 383.448 3.445 20 5 GGBDLO COc1ccccc1CN(C)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153233324 1422408219 /nfs/dbraw/zinc/40/82/19/1422408219.db2.gz RIGWGNPOPVIGIW-UHFFFAOYSA-N 1 2 383.448 3.226 20 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ZINC000154312208 1422871306 /nfs/dbraw/zinc/87/13/06/1422871306.db2.gz OCUPBSSIOVXCGB-UHFFFAOYSA-N 1 2 383.448 3.226 20 5 GGBDLO COc1ccc(C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C2CC2)cc1 ZINC000154673342 1422996954 /nfs/dbraw/zinc/99/69/54/1422996954.db2.gz AFSSROPJNPMHJE-UHFFFAOYSA-N 1 2 396.447 3.468 20 5 GGBDLO COc1ccc(C[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C2CC2)cc1 ZINC000154673342 1422996968 /nfs/dbraw/zinc/99/69/68/1422996968.db2.gz AFSSROPJNPMHJE-UHFFFAOYSA-N 1 2 396.447 3.468 20 5 GGBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000154786831 1423032542 /nfs/dbraw/zinc/03/25/42/1423032542.db2.gz TZHCMFLJLPIIJL-CALCHBBNSA-N 1 2 399.495 3.436 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000154876802 1423063748 /nfs/dbraw/zinc/06/37/48/1423063748.db2.gz IRXOZLSJFBGMTJ-INIZCTEOSA-N 1 2 384.436 3.118 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000154876802 1423063755 /nfs/dbraw/zinc/06/37/55/1423063755.db2.gz IRXOZLSJFBGMTJ-INIZCTEOSA-N 1 2 384.436 3.118 20 5 GGBDLO CC1CCN(c2ccc(C(=O)N(C)CCCn3cc[nH+]c3)cc2[N+](=O)[O-])CC1 ZINC000154907241 1423075691 /nfs/dbraw/zinc/07/56/91/1423075691.db2.gz REGSZDNZWXQHLB-UHFFFAOYSA-N 1 2 385.468 3.190 20 5 GGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000179879921 1429621760 /nfs/dbraw/zinc/62/17/60/1429621760.db2.gz XGJORVFASHIBLH-UHFFFAOYSA-N 1 2 384.436 3.312 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)nc1 ZINC000155563690 1423420484 /nfs/dbraw/zinc/42/04/84/1423420484.db2.gz QHUBUFXGMJGTOG-AWEZNQCLSA-N 1 2 382.449 3.195 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)nc1 ZINC000155563690 1423420492 /nfs/dbraw/zinc/42/04/92/1423420492.db2.gz QHUBUFXGMJGTOG-AWEZNQCLSA-N 1 2 382.449 3.195 20 5 GGBDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155706126 1423496946 /nfs/dbraw/zinc/49/69/46/1423496946.db2.gz RBYLWDZKOFKADB-UHFFFAOYSA-N 1 2 385.468 3.229 20 5 GGBDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155706126 1423496950 /nfs/dbraw/zinc/49/69/50/1423496950.db2.gz RBYLWDZKOFKADB-UHFFFAOYSA-N 1 2 385.468 3.229 20 5 GGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000155718286 1423502931 /nfs/dbraw/zinc/50/29/31/1423502931.db2.gz ALTBUXCETPHNSZ-UHFFFAOYSA-N 1 2 396.403 3.057 20 5 GGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000155718286 1423502944 /nfs/dbraw/zinc/50/29/44/1423502944.db2.gz ALTBUXCETPHNSZ-UHFFFAOYSA-N 1 2 396.403 3.057 20 5 GGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000155728600 1423506511 /nfs/dbraw/zinc/50/65/11/1423506511.db2.gz QHGYQTIKWGYSON-UHFFFAOYSA-N 1 2 396.403 3.057 20 5 GGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000155728600 1423506522 /nfs/dbraw/zinc/50/65/22/1423506522.db2.gz 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3.202 20 5 GGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000159515335 1424509852 /nfs/dbraw/zinc/50/98/52/1424509852.db2.gz SZNSRFPQYFQLMX-UHFFFAOYSA-N 1 2 394.431 3.090 20 5 GGBDLO CNC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000160252019 1424590966 /nfs/dbraw/zinc/59/09/66/1424590966.db2.gz HROQUADOSBMXDT-UHFFFAOYSA-N 1 2 399.794 3.046 20 5 GGBDLO O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000160580368 1424616346 /nfs/dbraw/zinc/61/63/46/1424616346.db2.gz TZNAUXQLUYTFSO-INIZCTEOSA-N 1 2 384.436 3.392 20 5 GGBDLO Cc1c(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cccc1[N+](=O)[O-] ZINC000160951611 1424647130 /nfs/dbraw/zinc/64/71/30/1424647130.db2.gz YQHMTWVNGORSOM-UHFFFAOYSA-N 1 2 394.431 3.376 20 5 GGBDLO C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000161200214 1424666643 /nfs/dbraw/zinc/66/66/43/1424666643.db2.gz OUMGCMLXAIJAJR-ZDUSSCGKSA-N 1 2 396.378 3.311 20 5 GGBDLO COc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000162100743 1424816071 /nfs/dbraw/zinc/81/60/71/1424816071.db2.gz HPHQTEIRSOARPM-SFHVURJKSA-N 1 2 399.447 3.022 20 5 GGBDLO COc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000162100743 1424816077 /nfs/dbraw/zinc/81/60/77/1424816077.db2.gz HPHQTEIRSOARPM-SFHVURJKSA-N 1 2 399.447 3.022 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000162404738 1424847177 /nfs/dbraw/zinc/84/71/77/1424847177.db2.gz DBMRRSGXDJTCGC-UHFFFAOYSA-N 1 2 399.451 3.192 20 5 GGBDLO Cc1c(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000162627713 1424873213 /nfs/dbraw/zinc/87/32/13/1424873213.db2.gz CKXXHTSOVZEKPG-UHFFFAOYSA-N 1 2 380.404 3.360 20 5 GGBDLO Cc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000162757595 1424888379 /nfs/dbraw/zinc/88/83/79/1424888379.db2.gz APKONWVXPROZAD-UHFFFAOYSA-N 1 2 389.375 3.126 20 5 GGBDLO Cc1cn(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000164921786 1425151891 /nfs/dbraw/zinc/15/18/91/1425151891.db2.gz WIWVZLKLZCPKHQ-SFHVURJKSA-N 1 2 393.447 3.354 20 5 GGBDLO Cc1cn(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000164921786 1425151894 /nfs/dbraw/zinc/15/18/94/1425151894.db2.gz WIWVZLKLZCPKHQ-SFHVURJKSA-N 1 2 393.447 3.354 20 5 GGBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)Cn1cc[nH+]c1 ZINC000165160132 1425168114 /nfs/dbraw/zinc/16/81/14/1425168114.db2.gz DOLBTEXCVUERIA-INIZCTEOSA-N 1 2 393.447 3.470 20 5 GGBDLO Cc1cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)[nH+]c2ccccc12 ZINC000170503243 1425263551 /nfs/dbraw/zinc/26/35/51/1425263551.db2.gz UNPUMQRIDDWPFA-UHFFFAOYSA-N 1 2 376.416 3.414 20 5 GGBDLO O=C(Nc1ccc(-c2ncon2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171012650 1425436284 /nfs/dbraw/zinc/43/62/84/1425436284.db2.gz QWNWQGLFLKRNOS-UHFFFAOYSA-N 1 2 376.332 3.083 20 5 GGBDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171238631 1425560249 /nfs/dbraw/zinc/56/02/49/1425560249.db2.gz WZDJRDZDRUHWNU-MRXNPFEDSA-N 1 2 398.463 3.192 20 5 GGBDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2C1 ZINC000171346243 1425629490 /nfs/dbraw/zinc/62/94/90/1425629490.db2.gz OPEHGLFXIUDYPA-UHFFFAOYSA-N 1 2 375.450 3.430 20 5 GGBDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2C1 ZINC000171346243 1425629499 /nfs/dbraw/zinc/62/94/99/1425629499.db2.gz OPEHGLFXIUDYPA-UHFFFAOYSA-N 1 2 375.450 3.430 20 5 GGBDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C1 ZINC000171346310 1425629975 /nfs/dbraw/zinc/62/99/75/1425629975.db2.gz WETIJGOXFSJLAH-UHFFFAOYSA-N 1 2 391.449 3.130 20 5 GGBDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C1 ZINC000171346310 1425629978 /nfs/dbraw/zinc/62/99/78/1425629978.db2.gz WETIJGOXFSJLAH-UHFFFAOYSA-N 1 2 391.449 3.130 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000171586756 1425746933 /nfs/dbraw/zinc/74/69/33/1425746933.db2.gz GFHOCMHKMFVMTO-CQSZACIVSA-N 1 2 387.411 3.262 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)c1 ZINC000171587468 1425748208 /nfs/dbraw/zinc/74/82/08/1425748208.db2.gz VLWMOGHPJVTTEU-CYBMUJFWSA-N 1 2 375.450 3.184 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000171588683 1425750123 /nfs/dbraw/zinc/75/01/23/1425750123.db2.gz HPHCLKXSNRFFGH-MRXNPFEDSA-N 1 2 383.448 3.431 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000171590187 1425750675 /nfs/dbraw/zinc/75/06/75/1425750675.db2.gz OGDWVSLEUZCXJS-INIZCTEOSA-N 1 2 383.448 3.431 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000171590469 1425751200 /nfs/dbraw/zinc/75/12/00/1425751200.db2.gz PGFMWYSKXMNQSC-MRXNPFEDSA-N 1 2 383.448 3.431 20 5 GGBDLO COc1cc(C[NH2+]Cc2cc(C)no2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000171765771 1425814486 /nfs/dbraw/zinc/81/44/86/1425814486.db2.gz VPLLZRDFEVYWME-UHFFFAOYSA-N 1 2 375.303 3.131 20 5 GGBDLO Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172259197 1425971725 /nfs/dbraw/zinc/97/17/25/1425971725.db2.gz KBOOKXQKJKRHOK-NDEPHWFRSA-N 1 2 398.444 3.220 20 5 GGBDLO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172349584 1426011201 /nfs/dbraw/zinc/01/12/01/1426011201.db2.gz YOSUMVRIPGJCQY-YJBOKZPZSA-N 1 2 386.452 3.352 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000172631909 1426119872 /nfs/dbraw/zinc/11/98/72/1426119872.db2.gz BDOGYCXVCCPCMN-QGZVFWFLSA-N 1 2 376.416 3.485 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000172916476 1426261064 /nfs/dbraw/zinc/26/10/64/1426261064.db2.gz PHKACWJQLSPRTA-SFHVURJKSA-N 1 2 390.443 3.341 20 5 GGBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000172916476 1426261078 /nfs/dbraw/zinc/26/10/78/1426261078.db2.gz PHKACWJQLSPRTA-SFHVURJKSA-N 1 2 390.443 3.341 20 5 GGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cn3cnc(-c4ccccc4)n3)CC2)cc1 ZINC000173435362 1426616460 /nfs/dbraw/zinc/61/64/60/1426616460.db2.gz OGCRNNKRDOEYBF-UHFFFAOYSA-N 1 2 379.420 3.354 20 5 GGBDLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462217 1426635912 /nfs/dbraw/zinc/63/59/12/1426635912.db2.gz UIVQQQVJQXGZTC-CQSZACIVSA-N 1 2 389.843 3.077 20 5 GGBDLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462217 1426635916 /nfs/dbraw/zinc/63/59/16/1426635916.db2.gz UIVQQQVJQXGZTC-CQSZACIVSA-N 1 2 389.843 3.077 20 5 GGBDLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173465939 1426640797 /nfs/dbraw/zinc/64/07/97/1426640797.db2.gz VSKLVIWZOSLLCN-KRWDZBQOSA-N 1 2 383.452 3.238 20 5 GGBDLO CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173465939 1426640810 /nfs/dbraw/zinc/64/08/10/1426640810.db2.gz VSKLVIWZOSLLCN-KRWDZBQOSA-N 1 2 383.452 3.238 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000173466877 1426641900 /nfs/dbraw/zinc/64/19/00/1426641900.db2.gz QSSHUPDMBXPNTC-ZDUSSCGKSA-N 1 2 377.788 3.238 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000173466877 1426641914 /nfs/dbraw/zinc/64/19/14/1426641914.db2.gz QSSHUPDMBXPNTC-ZDUSSCGKSA-N 1 2 377.788 3.238 20 5 GGBDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1C ZINC000173470245 1426645490 /nfs/dbraw/zinc/64/54/90/1426645490.db2.gz RFAFNKLJIWQAGX-AWEZNQCLSA-N 1 2 389.481 3.101 20 5 GGBDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1C ZINC000173470245 1426645494 /nfs/dbraw/zinc/64/54/94/1426645494.db2.gz RFAFNKLJIWQAGX-AWEZNQCLSA-N 1 2 389.481 3.101 20 5 GGBDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471382 1426646096 /nfs/dbraw/zinc/64/60/96/1426646096.db2.gz NDJYCYBLDDAOIO-ZBFHGGJFSA-N 1 2 394.435 3.211 20 5 GGBDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471382 1426646103 /nfs/dbraw/zinc/64/61/03/1426646103.db2.gz NDJYCYBLDDAOIO-ZBFHGGJFSA-N 1 2 394.435 3.211 20 5 GGBDLO Cc1ccsc1CNC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173799013 1426854317 /nfs/dbraw/zinc/85/43/17/1426854317.db2.gz IOMIDASNWGWOEN-UHFFFAOYSA-N 1 2 389.477 3.124 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000173831305 1426863055 /nfs/dbraw/zinc/86/30/55/1426863055.db2.gz PSBGHSZZZNZMEM-MMOPVJDHSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000173831305 1426863056 /nfs/dbraw/zinc/86/30/56/1426863056.db2.gz PSBGHSZZZNZMEM-MMOPVJDHSA-N 1 2 386.448 3.105 20 5 GGBDLO CCc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000174043763 1426967090 /nfs/dbraw/zinc/96/70/90/1426967090.db2.gz ZXWAIDUXOOWJPF-UHFFFAOYSA-N 1 2 378.432 3.375 20 5 GGBDLO Cc1nsc(N2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)n1 ZINC000174170559 1427031322 /nfs/dbraw/zinc/03/13/22/1427031322.db2.gz JLJAONXSNPVZCE-UHFFFAOYSA-N 1 2 391.497 3.254 20 5 GGBDLO Cc1nsc(N2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)n1 ZINC000174170559 1427031331 /nfs/dbraw/zinc/03/13/31/1427031331.db2.gz JLJAONXSNPVZCE-UHFFFAOYSA-N 1 2 391.497 3.254 20 5 GGBDLO Cc1cc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000174186278 1427038719 /nfs/dbraw/zinc/03/87/19/1427038719.db2.gz UCWTXKGWFBBFCS-UHFFFAOYSA-N 1 2 382.464 3.368 20 5 GGBDLO CCOc1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248250 1427068979 /nfs/dbraw/zinc/06/89/79/1427068979.db2.gz FGYLHMTUTDCIFO-UHFFFAOYSA-N 1 2 399.447 3.475 20 5 GGBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000174304888 1427093512 /nfs/dbraw/zinc/09/35/12/1427093512.db2.gz VOCWPYQRCJHZAE-ZDUSSCGKSA-N 1 2 384.367 3.117 20 5 GGBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000174304900 1427093591 /nfs/dbraw/zinc/09/35/91/1427093591.db2.gz VOCWPYQRCJHZAE-CYBMUJFWSA-N 1 2 384.367 3.117 20 5 GGBDLO CCc1ccc(N2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1 ZINC000174317334 1427099346 /nfs/dbraw/zinc/09/93/46/1427099346.db2.gz VRTOUUHJMIQPNQ-UHFFFAOYSA-N 1 2 383.448 3.346 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000174893900 1427431247 /nfs/dbraw/zinc/43/12/47/1427431247.db2.gz SYLRYEQHWWJNCJ-UHFFFAOYSA-N 1 2 382.464 3.297 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000174904433 1427437638 /nfs/dbraw/zinc/43/76/38/1427437638.db2.gz BKNSIQCSLLBVNZ-UHFFFAOYSA-N 1 2 398.463 3.377 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174912198 1427442610 /nfs/dbraw/zinc/44/26/10/1427442610.db2.gz YKAZLZNOTAUQOP-UHFFFAOYSA-N 1 2 382.464 3.297 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000174913953 1427443517 /nfs/dbraw/zinc/44/35/17/1427443517.db2.gz DBSLIPYECUCNQR-UHFFFAOYSA-N 1 2 398.463 3.134 20 5 GGBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000174959525 1427466965 /nfs/dbraw/zinc/46/69/65/1427466965.db2.gz DTRYTMAITPVLCW-UHFFFAOYSA-N 1 2 389.427 3.211 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175170476 1427579685 /nfs/dbraw/zinc/57/96/85/1427579685.db2.gz BSUBJIKTFQKCQL-UHFFFAOYSA-N 1 2 397.479 3.438 20 5 GGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)c2c1 ZINC000175251675 1427626412 /nfs/dbraw/zinc/62/64/12/1427626412.db2.gz NNTGQEABYKZXMZ-HNNXBMFYSA-N 1 2 393.465 3.489 20 5 GGBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000175324832 1427679130 /nfs/dbraw/zinc/67/91/30/1427679130.db2.gz VGCORFVYXYIZRP-UHFFFAOYSA-N 1 2 379.420 3.289 20 5 GGBDLO COc1cc(C[NH+]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000175445172 1427758549 /nfs/dbraw/zinc/75/85/49/1427758549.db2.gz DCRMRQOQHIXICI-UHFFFAOYSA-N 1 2 389.427 3.069 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175975715 1428008675 /nfs/dbraw/zinc/00/86/75/1428008675.db2.gz YBJPNBNLBPWBGF-UHFFFAOYSA-N 1 2 397.479 3.438 20 5 GGBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000176034488 1428037559 /nfs/dbraw/zinc/03/75/59/1428037559.db2.gz ZTMLHALPUHPIPF-KBPBESRZSA-N 1 2 384.436 3.039 20 5 GGBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)O1 ZINC000176034503 1428037902 /nfs/dbraw/zinc/03/79/02/1428037902.db2.gz ZTMLHALPUHPIPF-ZIAGYGMSSA-N 1 2 384.436 3.039 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000176157127 1428125970 /nfs/dbraw/zinc/12/59/70/1428125970.db2.gz VLKRPDWOMBSGEQ-JKSUJKDBSA-N 1 2 382.420 3.144 20 5 GGBDLO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cs2)c1C ZINC000180398172 1429856947 /nfs/dbraw/zinc/85/69/47/1429856947.db2.gz CQKPQAPCTNKVGZ-CYBMUJFWSA-N 1 2 399.476 3.280 20 5 GGBDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180453787 1429872959 /nfs/dbraw/zinc/87/29/59/1429872959.db2.gz OLTYCNLUIUHMPZ-LLVKDONJSA-N 1 2 392.341 3.440 20 5 GGBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000180622225 1429938091 /nfs/dbraw/zinc/93/80/91/1429938091.db2.gz NXAIUUVHZXBYMD-UHFFFAOYSA-N 1 2 388.855 3.179 20 5 GGBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000180622225 1429938098 /nfs/dbraw/zinc/93/80/98/1429938098.db2.gz NXAIUUVHZXBYMD-UHFFFAOYSA-N 1 2 388.855 3.179 20 5 GGBDLO COc1cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180908900 1430103786 /nfs/dbraw/zinc/10/37/86/1430103786.db2.gz JLEQYALVNHTSNR-NSHDSACASA-N 1 2 384.383 3.174 20 5 GGBDLO COc1cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180908900 1430103792 /nfs/dbraw/zinc/10/37/92/1430103792.db2.gz JLEQYALVNHTSNR-NSHDSACASA-N 1 2 384.383 3.174 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1C ZINC000181152174 1430228949 /nfs/dbraw/zinc/22/89/49/1430228949.db2.gz CNENYBYOPUQWSY-UHFFFAOYSA-N 1 2 395.362 3.489 20 5 GGBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(OC)c1 ZINC000181570450 1430321498 /nfs/dbraw/zinc/32/14/98/1430321498.db2.gz FMBYNYIZQNODNN-HNNXBMFYSA-N 1 2 392.477 3.460 20 5 GGBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(OC)c1 ZINC000181570450 1430321500 /nfs/dbraw/zinc/32/15/00/1430321500.db2.gz FMBYNYIZQNODNN-HNNXBMFYSA-N 1 2 392.477 3.460 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH+](Cc4cccnc4)CC3)cs2)c1 ZINC000182054413 1430402583 /nfs/dbraw/zinc/40/25/83/1430402583.db2.gz HNSADDMUABQBIU-UHFFFAOYSA-N 1 2 395.488 3.431 20 5 GGBDLO COc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182198223 1430428430 /nfs/dbraw/zinc/42/84/30/1430428430.db2.gz TTXFAOHTXOOISC-LJQANCHMSA-N 1 2 390.461 3.214 20 5 GGBDLO COc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182198223 1430428432 /nfs/dbraw/zinc/42/84/32/1430428432.db2.gz TTXFAOHTXOOISC-LJQANCHMSA-N 1 2 390.461 3.214 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000182397895 1430459921 /nfs/dbraw/zinc/45/99/21/1430459921.db2.gz MPMMKICJZRPIRT-RISCZKNCSA-N 1 2 380.351 3.116 20 5 GGBDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000182527593 1430483766 /nfs/dbraw/zinc/48/37/66/1430483766.db2.gz HZYCDLBMYBGZGW-LBPRGKRZSA-N 1 2 381.392 3.454 20 5 GGBDLO COc1cccc(CC(=O)N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182694786 1430519272 /nfs/dbraw/zinc/51/92/72/1430519272.db2.gz QSVCOMPURLPJFA-KRWDZBQOSA-N 1 2 397.475 3.360 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000182850894 1430553414 /nfs/dbraw/zinc/55/34/14/1430553414.db2.gz IPKKNOSKHAEQQU-LBPRGKRZSA-N 1 2 397.357 3.086 20 5 GGBDLO O=C(C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000182850894 1430553415 /nfs/dbraw/zinc/55/34/15/1430553415.db2.gz IPKKNOSKHAEQQU-LBPRGKRZSA-N 1 2 397.357 3.086 20 5 GGBDLO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000183557412 1430741674 /nfs/dbraw/zinc/74/16/74/1430741674.db2.gz XRGYITMMBQCHJH-FUHWJXTLSA-N 1 2 378.392 3.237 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183583643 1430747035 /nfs/dbraw/zinc/74/70/35/1430747035.db2.gz CEFFSMAEFBCARX-UHFFFAOYSA-N 1 2 384.440 3.155 20 5 GGBDLO C[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000183884811 1430808944 /nfs/dbraw/zinc/80/89/44/1430808944.db2.gz JYWYWFRPPAUXBN-AWEZNQCLSA-N 1 2 387.411 3.308 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183981236 1430822800 /nfs/dbraw/zinc/82/28/00/1430822800.db2.gz LXDVFJAFEBWWTM-NSHDSACASA-N 1 2 378.454 3.220 20 5 GGBDLO COc1cc(CNc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184006719 1430827799 /nfs/dbraw/zinc/82/77/99/1430827799.db2.gz OPHBERNCMJOLPH-UHFFFAOYSA-N 1 2 375.400 3.187 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184161329 1430848997 /nfs/dbraw/zinc/84/89/97/1430848997.db2.gz JJGMVTDTIDSEBI-QGZVFWFLSA-N 1 2 375.425 3.438 20 5 GGBDLO CC(C)COC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000184162194 1430849098 /nfs/dbraw/zinc/84/90/98/1430849098.db2.gz LNYUBDSJKACUIX-QGZVFWFLSA-N 1 2 387.436 3.080 20 5 GGBDLO COc1cc(C[N@H+](C)Cc2ccccc2N2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184231274 1430859825 /nfs/dbraw/zinc/85/98/25/1430859825.db2.gz LSPXXLXFGDYRKU-UHFFFAOYSA-N 1 2 389.427 3.211 20 5 GGBDLO COc1cc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184231274 1430859828 /nfs/dbraw/zinc/85/98/28/1430859828.db2.gz LSPXXLXFGDYRKU-UHFFFAOYSA-N 1 2 389.427 3.211 20 5 GGBDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000184323898 1430873226 /nfs/dbraw/zinc/87/32/26/1430873226.db2.gz CVMBDAPVULZGQT-UHFFFAOYSA-N 1 2 398.250 3.019 20 5 GGBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184460103 1430890185 /nfs/dbraw/zinc/89/01/85/1430890185.db2.gz IZEIOWNWRKBWJS-UHFFFAOYSA-N 1 2 399.838 3.492 20 5 GGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000184480411 1430892399 /nfs/dbraw/zinc/89/23/99/1430892399.db2.gz MXXZRWSJMDOUFE-AWEZNQCLSA-N 1 2 388.424 3.199 20 5 GGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000184480411 1430892401 /nfs/dbraw/zinc/89/24/01/1430892401.db2.gz MXXZRWSJMDOUFE-AWEZNQCLSA-N 1 2 388.424 3.199 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184581523 1430908946 /nfs/dbraw/zinc/90/89/46/1430908946.db2.gz YGTXYOBKWFMJCM-FQEVSTJZSA-N 1 2 397.410 3.094 20 5 GGBDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000184720507 1430952898 /nfs/dbraw/zinc/95/28/98/1430952898.db2.gz IYBDVVOAPMYPMV-WDEREUQCSA-N 1 2 378.454 3.300 20 5 GGBDLO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184725845 1430954853 /nfs/dbraw/zinc/95/48/53/1430954853.db2.gz IRCXQSOCRVBQGI-UHFFFAOYSA-N 1 2 387.461 3.410 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185028757 1431044828 /nfs/dbraw/zinc/04/48/28/1431044828.db2.gz LSBZFYMALOCBOM-LBPRGKRZSA-N 1 2 388.399 3.016 20 5 GGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000185121417 1431065293 /nfs/dbraw/zinc/06/52/93/1431065293.db2.gz GHUNTCIXCXENET-SFHVURJKSA-N 1 2 382.464 3.475 20 5 GGBDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000185146617 1431072195 /nfs/dbraw/zinc/07/21/95/1431072195.db2.gz OWNRSNNDKWUQGE-UHFFFAOYSA-N 1 2 384.436 3.118 20 5 GGBDLO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185406123 1431137969 /nfs/dbraw/zinc/13/79/69/1431137969.db2.gz LXEWSNCSEFKSLK-DJJJIMSYSA-N 1 2 397.410 3.174 20 5 GGBDLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185406143 1431138041 /nfs/dbraw/zinc/13/80/41/1431138041.db2.gz LXEWSNCSEFKSLK-YJYMSZOUSA-N 1 2 397.410 3.174 20 5 GGBDLO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185447585 1431147528 /nfs/dbraw/zinc/14/75/28/1431147528.db2.gz BEWWUIOULCQAMR-DJJJIMSYSA-N 1 2 397.410 3.174 20 5 GGBDLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185447647 1431147936 /nfs/dbraw/zinc/14/79/36/1431147936.db2.gz BEWWUIOULCQAMR-BFUOFWGJSA-N 1 2 397.410 3.174 20 5 GGBDLO CCOC(=O)c1ccnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000185487286 1431155559 /nfs/dbraw/zinc/15/55/59/1431155559.db2.gz SMFWTBIRTYTVTF-ZDUSSCGKSA-N 1 2 390.465 3.111 20 5 GGBDLO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185614910 1431184826 /nfs/dbraw/zinc/18/48/26/1431184826.db2.gz CJVSEHCUQMDCIV-KRWDZBQOSA-N 1 2 399.447 3.133 20 5 GGBDLO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185614910 1431184829 /nfs/dbraw/zinc/18/48/29/1431184829.db2.gz CJVSEHCUQMDCIV-KRWDZBQOSA-N 1 2 399.447 3.133 20 5 GGBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1C ZINC000185677892 1431203262 /nfs/dbraw/zinc/20/32/62/1431203262.db2.gz DTTSSQZMKGXTBS-UHFFFAOYSA-N 1 2 389.355 3.364 20 5 GGBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000185682412 1431204196 /nfs/dbraw/zinc/20/41/96/1431204196.db2.gz UOYIGVPELKBMMW-UHFFFAOYSA-N 1 2 389.355 3.310 20 5 GGBDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000185922068 1431280990 /nfs/dbraw/zinc/28/09/90/1431280990.db2.gz APZFWNKPPOGZTQ-UHFFFAOYSA-N 1 2 375.450 3.261 20 5 GGBDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000185922068 1431281005 /nfs/dbraw/zinc/28/10/05/1431281005.db2.gz APZFWNKPPOGZTQ-UHFFFAOYSA-N 1 2 375.450 3.261 20 5 GGBDLO Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000186095747 1431329319 /nfs/dbraw/zinc/32/93/19/1431329319.db2.gz BHSJOAUASHRUHX-UHFFFAOYSA-N 1 2 394.313 3.094 20 5 GGBDLO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C1CC1 ZINC000186434724 1431418886 /nfs/dbraw/zinc/41/88/86/1431418886.db2.gz BZVKMGBGYQUIRY-SFHVURJKSA-N 1 2 393.447 3.403 20 5 GGBDLO CSc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000186482868 1431432237 /nfs/dbraw/zinc/43/22/37/1431432237.db2.gz NWYSJEVZWBZRHC-UHFFFAOYSA-N 1 2 387.461 3.401 20 5 GGBDLO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000186869908 1431547909 /nfs/dbraw/zinc/54/79/09/1431547909.db2.gz JWUUBQQZSKJRTG-DOTOQJQBSA-N 1 2 383.448 3.426 20 5 GGBDLO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1Cc1ccccc1 ZINC000186869908 1431547910 /nfs/dbraw/zinc/54/79/10/1431547910.db2.gz JWUUBQQZSKJRTG-DOTOQJQBSA-N 1 2 383.448 3.426 20 5 GGBDLO COCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000187488446 1431746283 /nfs/dbraw/zinc/74/62/83/1431746283.db2.gz KGLBSVQPDFCTJH-UHFFFAOYSA-N 1 2 386.452 3.497 20 5 GGBDLO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000188180301 1431857379 /nfs/dbraw/zinc/85/73/79/1431857379.db2.gz KRDMDRWMFNYFQQ-UHFFFAOYSA-N 1 2 377.466 3.346 20 5 GGBDLO COc1cc(OC)cc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000188230222 1431863611 /nfs/dbraw/zinc/86/36/11/1431863611.db2.gz NGHBYKHSHQLUOW-UHFFFAOYSA-N 1 2 382.376 3.074 20 5 GGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189143726 1432052000 /nfs/dbraw/zinc/05/20/00/1432052000.db2.gz UJEOZXGLFGJVIF-SJCJKPOMSA-N 1 2 381.860 3.466 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccn(-c4ccccc4F)n3)C2)nc1 ZINC000189192803 1432060942 /nfs/dbraw/zinc/06/09/42/1432060942.db2.gz BGMOGPMSNQSKFS-AWEZNQCLSA-N 1 2 382.399 3.001 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccn(-c4ccccc4F)n3)C2)nc1 ZINC000189192803 1432060948 /nfs/dbraw/zinc/06/09/48/1432060948.db2.gz BGMOGPMSNQSKFS-AWEZNQCLSA-N 1 2 382.399 3.001 20 5 GGBDLO COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189477535 1432127145 /nfs/dbraw/zinc/12/71/45/1432127145.db2.gz GQMATNZQFHGLID-SFHVURJKSA-N 1 2 394.431 3.110 20 5 GGBDLO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1C(F)(F)F ZINC000190196589 1432338340 /nfs/dbraw/zinc/33/83/40/1432338340.db2.gz WHRVMGRQVRLFNT-HNNXBMFYSA-N 1 2 385.386 3.394 20 5 GGBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1C(F)(F)F ZINC000190196589 1432338345 /nfs/dbraw/zinc/33/83/45/1432338345.db2.gz WHRVMGRQVRLFNT-HNNXBMFYSA-N 1 2 385.386 3.394 20 5 GGBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1c[nH]c2ccccc12 ZINC000190508147 1432394748 /nfs/dbraw/zinc/39/47/48/1432394748.db2.gz ZVSVXDVUTOMGMW-UHFFFAOYSA-N 1 2 387.461 3.372 20 5 GGBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1c[nH]c2ccccc12 ZINC000190508147 1432394751 /nfs/dbraw/zinc/39/47/51/1432394751.db2.gz ZVSVXDVUTOMGMW-UHFFFAOYSA-N 1 2 387.461 3.372 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190995502 1432546040 /nfs/dbraw/zinc/54/60/40/1432546040.db2.gz RNLXRMKPIXZLTC-LJQANCHMSA-N 1 2 387.480 3.235 20 5 GGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c2c(c1)COCO2 ZINC000191679746 1432704216 /nfs/dbraw/zinc/70/42/16/1432704216.db2.gz KRXJHDWUHQPYOK-UHFFFAOYSA-N 1 2 389.383 3.039 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191936514 1432760480 /nfs/dbraw/zinc/76/04/80/1432760480.db2.gz SYPLTCCKVIWJNL-UHFFFAOYSA-N 1 2 375.429 3.306 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000192242965 1432821594 /nfs/dbraw/zinc/82/15/94/1432821594.db2.gz KIVOYFYPJJGTAB-UHFFFAOYSA-N 1 2 394.497 3.071 20 5 GGBDLO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ncc([N+](=O)[O-])s3)CC2)c1C ZINC000192450509 1432846191 /nfs/dbraw/zinc/84/61/91/1432846191.db2.gz OOXMHXLYJAJMSR-UHFFFAOYSA-N 1 2 391.497 3.173 20 5 GGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000192507612 1432852693 /nfs/dbraw/zinc/85/26/93/1432852693.db2.gz QCYMMHJRFQAURC-HNNXBMFYSA-N 1 2 395.799 3.028 20 5 GGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000192507612 1432852694 /nfs/dbraw/zinc/85/26/94/1432852694.db2.gz QCYMMHJRFQAURC-HNNXBMFYSA-N 1 2 395.799 3.028 20 5 GGBDLO O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000192697123 1432876707 /nfs/dbraw/zinc/87/67/07/1432876707.db2.gz WPBYUBXHNQVGAF-UHFFFAOYSA-N 1 2 392.419 3.418 20 5 GGBDLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192988981 1432918177 /nfs/dbraw/zinc/91/81/77/1432918177.db2.gz CDXAOEXFMXGBRW-MSOLQXFVSA-N 1 2 396.491 3.291 20 5 GGBDLO O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193204385 1432957436 /nfs/dbraw/zinc/95/74/36/1432957436.db2.gz SXDICSHTOWHJAZ-UHFFFAOYSA-N 1 2 389.274 3.219 20 5 GGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194033218 1433104504 /nfs/dbraw/zinc/10/45/04/1433104504.db2.gz JIIARQDCKSYMDS-UHFFFAOYSA-N 1 2 383.383 3.261 20 5 GGBDLO CCCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000194125875 1433122075 /nfs/dbraw/zinc/12/20/75/1433122075.db2.gz OEOKSRNDPSGEFT-HXUWFJFHSA-N 1 2 383.448 3.239 20 5 GGBDLO CCCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000194125875 1433122076 /nfs/dbraw/zinc/12/20/76/1433122076.db2.gz OEOKSRNDPSGEFT-HXUWFJFHSA-N 1 2 383.448 3.239 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OCCC(C)C)CC1 ZINC000194335146 1433163277 /nfs/dbraw/zinc/16/32/77/1433163277.db2.gz XBNIZUCMNLVGDP-HNNXBMFYSA-N 1 2 393.484 3.458 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194528641 1433192998 /nfs/dbraw/zinc/19/29/98/1433192998.db2.gz LOPTWYUYUWDZFS-UHFFFAOYSA-N 1 2 398.463 3.377 20 5 GGBDLO COc1cccc(C2CC[NH+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 ZINC000194842307 1433246235 /nfs/dbraw/zinc/24/62/35/1433246235.db2.gz FZDFYARCRIHGCL-UHFFFAOYSA-N 1 2 383.404 3.348 20 5 GGBDLO COc1cccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000194883377 1433256483 /nfs/dbraw/zinc/25/64/83/1433256483.db2.gz UPPOGKLKMOFIPK-CYBMUJFWSA-N 1 2 375.450 3.184 20 5 GGBDLO COc1cccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1[N+](=O)[O-] ZINC000194889390 1433257789 /nfs/dbraw/zinc/25/77/89/1433257789.db2.gz DCWOVSGRHQXVEE-UHFFFAOYSA-N 1 2 396.403 3.153 20 5 GGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000194939017 1433268688 /nfs/dbraw/zinc/26/86/88/1433268688.db2.gz REDYLZGGESGFQF-LJQANCHMSA-N 1 2 385.489 3.343 20 5 GGBDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000195159226 1433301265 /nfs/dbraw/zinc/30/12/65/1433301265.db2.gz HWZXRBRZWNRIIN-UHFFFAOYSA-N 1 2 378.450 3.254 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195317190 1433318270 /nfs/dbraw/zinc/31/82/70/1433318270.db2.gz YVYLUNAPHKALOC-CQSZACIVSA-N 1 2 391.468 3.354 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(OC2CCCC2)CC1 ZINC000195401958 1433325715 /nfs/dbraw/zinc/32/57/15/1433325715.db2.gz YSVQBZLWZCLOLA-UHFFFAOYSA-N 1 2 384.436 3.344 20 5 GGBDLO COc1cc(C[NH2+]Cc2c(C)noc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000195422572 1433328064 /nfs/dbraw/zinc/32/80/64/1433328064.db2.gz GEGXUCMXPJLXLV-UHFFFAOYSA-N 1 2 389.330 3.439 20 5 GGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])CC2)c1 ZINC000195526780 1433338583 /nfs/dbraw/zinc/33/85/83/1433338583.db2.gz GEZJTJDFPGQUMX-UHFFFAOYSA-N 1 2 375.375 3.139 20 5 GGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)cs1 ZINC000237975890 1433437737 /nfs/dbraw/zinc/43/77/37/1433437737.db2.gz NNELHDJFDSRFLH-UHFFFAOYSA-N 1 2 395.506 3.121 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000245775155 1433515876 /nfs/dbraw/zinc/51/58/76/1433515876.db2.gz TVSZSDTUIDOBQP-DZGCQCFKSA-N 1 2 398.467 3.105 20 5 GGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000245775155 1433515879 /nfs/dbraw/zinc/51/58/79/1433515879.db2.gz TVSZSDTUIDOBQP-DZGCQCFKSA-N 1 2 398.467 3.105 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000245800232 1433520132 /nfs/dbraw/zinc/52/01/32/1433520132.db2.gz ZDKWLCCBADUYJV-ZBFHGGJFSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000245800232 1433520144 /nfs/dbraw/zinc/52/01/44/1433520144.db2.gz ZDKWLCCBADUYJV-ZBFHGGJFSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000245919154 1433542321 /nfs/dbraw/zinc/54/23/21/1433542321.db2.gz NOAVWBDTKTYEIE-ROUUACIJSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000245919154 1433542322 /nfs/dbraw/zinc/54/23/22/1433542322.db2.gz NOAVWBDTKTYEIE-ROUUACIJSA-N 1 2 389.839 3.050 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246270577 1433588330 /nfs/dbraw/zinc/58/83/30/1433588330.db2.gz MJJQCDSWXIEPTM-RTBURBONSA-N 1 2 399.447 3.048 20 5 GGBDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246270577 1433588332 /nfs/dbraw/zinc/58/83/32/1433588332.db2.gz MJJQCDSWXIEPTM-RTBURBONSA-N 1 2 399.447 3.048 20 5 GGBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000247304995 1433703000 /nfs/dbraw/zinc/70/30/00/1433703000.db2.gz GMOLRBFPYPSQEC-RMKNXTFCSA-N 1 2 394.475 3.254 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247731006 1433748530 /nfs/dbraw/zinc/74/85/30/1433748530.db2.gz VDUSXKMUZHRALB-XNJGSVPQSA-N 1 2 391.859 3.355 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000248465368 1433805175 /nfs/dbraw/zinc/80/51/75/1433805175.db2.gz RPVAPFSDPANMAK-FIKGOQFSSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000248465368 1433805177 /nfs/dbraw/zinc/80/51/77/1433805177.db2.gz RPVAPFSDPANMAK-FIKGOQFSSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000249253165 1433839640 /nfs/dbraw/zinc/83/96/40/1433839640.db2.gz ZRHOGNDBUZTCRF-CABCVRRESA-N 1 2 385.420 3.002 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000249253165 1433839641 /nfs/dbraw/zinc/83/96/41/1433839641.db2.gz ZRHOGNDBUZTCRF-CABCVRRESA-N 1 2 385.420 3.002 20 5 GGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255134530 1433877181 /nfs/dbraw/zinc/87/71/81/1433877181.db2.gz BFTLQOHDLQUBMV-UITAMQMPSA-N 1 2 379.460 3.385 20 5 GGBDLO COc1cc(NC(=O)C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000255596698 1433886210 /nfs/dbraw/zinc/88/62/10/1433886210.db2.gz JLRTZANYXNRNOF-VURMDHGXSA-N 1 2 385.420 3.196 20 5 GGBDLO COc1cc(NC(=O)C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000255596698 1433886211 /nfs/dbraw/zinc/88/62/11/1433886211.db2.gz JLRTZANYXNRNOF-VURMDHGXSA-N 1 2 385.420 3.196 20 5 GGBDLO Cc1cccc([C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[NH+]2CCOCC2)c1 ZINC000255829468 1433889731 /nfs/dbraw/zinc/88/97/31/1433889731.db2.gz JDZAKRCCVHLKDN-UKSYNSBOSA-N 1 2 395.459 3.106 20 5 GGBDLO Cc1cccc([C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[NH+]2CCOCC2)c1 ZINC000255829467 1433889765 /nfs/dbraw/zinc/88/97/65/1433889765.db2.gz JDZAKRCCVHLKDN-PWYGHMFVSA-N 1 2 395.459 3.106 20 5 GGBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1OCCc2ccccc21 ZINC000263667854 1434018001 /nfs/dbraw/zinc/01/80/01/1434018001.db2.gz FTHUDOJSVXOAMH-GOSISDBHSA-N 1 2 380.404 3.391 20 5 GGBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1OCCc2ccccc21 ZINC000263667854 1434018003 /nfs/dbraw/zinc/01/80/03/1434018003.db2.gz FTHUDOJSVXOAMH-GOSISDBHSA-N 1 2 380.404 3.391 20 5 GGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264144396 1434075528 /nfs/dbraw/zinc/07/55/28/1434075528.db2.gz HXIIWMXAKMETCG-UHFFFAOYSA-N 1 2 383.452 3.212 20 5 GGBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265344012 1434221693 /nfs/dbraw/zinc/22/16/93/1434221693.db2.gz ISVOLURUJVVAAX-LBPRGKRZSA-N 1 2 378.816 3.146 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265699174 1434257937 /nfs/dbraw/zinc/25/79/37/1434257937.db2.gz SMWSOWQNJFSCAU-UHFFFAOYSA-N 1 2 394.431 3.469 20 5 GGBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266190843 1434309478 /nfs/dbraw/zinc/30/94/78/1434309478.db2.gz BWHPTSVUMAHFES-UHFFFAOYSA-N 1 2 382.367 3.123 20 5 GGBDLO C[C@@H](c1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000266494696 1434343480 /nfs/dbraw/zinc/34/34/80/1434343480.db2.gz YPJLPCOXILHZAU-INIZCTEOSA-N 1 2 398.463 3.352 20 5 GGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000266615097 1434354759 /nfs/dbraw/zinc/35/47/59/1434354759.db2.gz DFHWRTQGLOCPBL-OAHLLOKOSA-N 1 2 393.447 3.122 20 5 GGBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000267637414 1434451943 /nfs/dbraw/zinc/45/19/43/1434451943.db2.gz PVVZJEXYULTEIH-LBPRGKRZSA-N 1 2 387.465 3.449 20 5 GGBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1C[NH+]1CCOCC1 ZINC000268265278 1434506440 /nfs/dbraw/zinc/50/64/40/1434506440.db2.gz SIIBFOMRCGCDBC-UHFFFAOYSA-N 1 2 389.839 3.010 20 5 GGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000268276980 1434507625 /nfs/dbraw/zinc/50/76/25/1434507625.db2.gz QFROJLXCSUMCQY-DNVCBOLYSA-N 1 2 383.452 3.115 20 5 GGBDLO CC(C)c1[nH]nc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000269438374 1434645802 /nfs/dbraw/zinc/64/58/02/1434645802.db2.gz OWVFYRBVXWOHPI-CYBMUJFWSA-N 1 2 387.440 3.087 20 5 GGBDLO C[C@@H](c1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000270670101 1434759438 /nfs/dbraw/zinc/75/94/38/1434759438.db2.gz PTYDOXIGJHSXBE-INIZCTEOSA-N 1 2 398.463 3.352 20 5 GGBDLO C[C@H](c1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000270670104 1434759707 /nfs/dbraw/zinc/75/97/07/1434759707.db2.gz PTYDOXIGJHSXBE-MRXNPFEDSA-N 1 2 398.463 3.352 20 5 GGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)CC(=O)N2C ZINC000271766971 1434848981 /nfs/dbraw/zinc/84/89/81/1434848981.db2.gz CFRUJTMZHCOMTI-LBPRGKRZSA-N 1 2 393.403 3.015 20 5 GGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc2c(c1)CC(=O)N2C ZINC000271855292 1434855049 /nfs/dbraw/zinc/85/50/49/1434855049.db2.gz SCIHIZHLQZOVIC-GFCCVEGCSA-N 1 2 393.403 3.015 20 5 GGBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc2c(c1)CC(=O)N2C ZINC000271856991 1434855244 /nfs/dbraw/zinc/85/52/44/1434855244.db2.gz SPWOLMLAPVGLIS-GFCCVEGCSA-N 1 2 393.403 3.015 20 5 GGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)C1 ZINC000272717044 1434925665 /nfs/dbraw/zinc/92/56/65/1434925665.db2.gz YVMJNMALLRTPHW-KRWDZBQOSA-N 1 2 387.440 3.027 20 5 GGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)C1 ZINC000272717044 1434925667 /nfs/dbraw/zinc/92/56/67/1434925667.db2.gz YVMJNMALLRTPHW-KRWDZBQOSA-N 1 2 387.440 3.027 20 5 GGBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000274110935 1435044657 /nfs/dbraw/zinc/04/46/57/1435044657.db2.gz QWRNUNHVIUHJAA-ZWKOTPCHSA-N 1 2 386.452 3.083 20 5 GGBDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274837267 1435096860 /nfs/dbraw/zinc/09/68/60/1435096860.db2.gz VMSXZWPJGRGGHI-UHFFFAOYSA-N 1 2 398.868 3.340 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000276898344 1435241297 /nfs/dbraw/zinc/24/12/97/1435241297.db2.gz DSRDUOCITGAJFQ-AWEZNQCLSA-N 1 2 385.420 3.249 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000277105668 1435262399 /nfs/dbraw/zinc/26/23/99/1435262399.db2.gz MPTFZJMNVZXCDP-UHFFFAOYSA-N 1 2 376.438 3.298 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000277420327 1435303506 /nfs/dbraw/zinc/30/35/06/1435303506.db2.gz DJGQGPQRRIQUNF-UHFFFAOYSA-N 1 2 380.395 3.384 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)co2)cc1 ZINC000277770383 1435328679 /nfs/dbraw/zinc/32/86/79/1435328679.db2.gz MXQNFFSLRWJBRX-IUODEOHRSA-N 1 2 385.342 3.385 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)co2)cc1 ZINC000277770383 1435328682 /nfs/dbraw/zinc/32/86/82/1435328682.db2.gz MXQNFFSLRWJBRX-IUODEOHRSA-N 1 2 385.342 3.385 20 5 GGBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1NC1CC1 ZINC000278000564 1435349197 /nfs/dbraw/zinc/34/91/97/1435349197.db2.gz INLAITCXIQMPTE-RHSMWYFYSA-N 1 2 385.424 3.145 20 5 GGBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1NC1CC1 ZINC000278000564 1435349198 /nfs/dbraw/zinc/34/91/98/1435349198.db2.gz INLAITCXIQMPTE-RHSMWYFYSA-N 1 2 385.424 3.145 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278418124 1435389312 /nfs/dbraw/zinc/38/93/12/1435389312.db2.gz REFXIBSCYUGZQC-RNCFNFMXSA-N 1 2 384.301 3.331 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278418124 1435389314 /nfs/dbraw/zinc/38/93/14/1435389314.db2.gz REFXIBSCYUGZQC-RNCFNFMXSA-N 1 2 384.301 3.331 20 5 GGBDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000278808920 1435425872 /nfs/dbraw/zinc/42/58/72/1435425872.db2.gz GMTRBOXHYFSOGY-UHFFFAOYSA-N 1 2 391.859 3.283 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278892665 1435436508 /nfs/dbraw/zinc/43/65/08/1435436508.db2.gz FFECZWIJIIYZPR-UHFFFAOYSA-N 1 2 384.436 3.156 20 5 GGBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279051482 1435455764 /nfs/dbraw/zinc/45/57/64/1435455764.db2.gz YKRODRJQWCPCPD-KRWDZBQOSA-N 1 2 377.828 3.167 20 5 GGBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279051482 1435455765 /nfs/dbraw/zinc/45/57/65/1435455765.db2.gz YKRODRJQWCPCPD-KRWDZBQOSA-N 1 2 377.828 3.167 20 5 GGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279432267 1435498616 /nfs/dbraw/zinc/49/86/16/1435498616.db2.gz JKDROTQPBGHNFF-UHFFFAOYSA-N 1 2 383.452 3.217 20 5 GGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)C1 ZINC000280255460 1435619772 /nfs/dbraw/zinc/61/97/72/1435619772.db2.gz JFVGIOGAQRWIQR-KRWDZBQOSA-N 1 2 387.440 3.027 20 5 GGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)C1 ZINC000280255460 1435619780 /nfs/dbraw/zinc/61/97/80/1435619780.db2.gz JFVGIOGAQRWIQR-KRWDZBQOSA-N 1 2 387.440 3.027 20 5 GGBDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000280430736 1435659708 /nfs/dbraw/zinc/65/97/08/1435659708.db2.gz MLYHYAKIVRKBQN-CABCVRRESA-N 1 2 391.449 3.017 20 5 GGBDLO COC(=O)c1nc([C@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000280430736 1435659713 /nfs/dbraw/zinc/65/97/13/1435659713.db2.gz MLYHYAKIVRKBQN-CABCVRRESA-N 1 2 391.449 3.017 20 5 GGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCCNc1cccc[nH+]1 ZINC000280644888 1435696635 /nfs/dbraw/zinc/69/66/35/1435696635.db2.gz NCCOOYWWJSLYFP-UHFFFAOYSA-N 1 2 380.807 3.333 20 5 GGBDLO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000282037010 1435831863 /nfs/dbraw/zinc/83/18/63/1435831863.db2.gz LSELJNMUDSJFER-ASKNOMKYSA-N 1 2 398.463 3.182 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000282379397 1435845147 /nfs/dbraw/zinc/84/51/47/1435845147.db2.gz ARSWNIZGQBZLTN-UHFFFAOYSA-N 1 2 384.436 3.309 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000282842428 1435862583 /nfs/dbraw/zinc/86/25/83/1435862583.db2.gz MWDGJHJOMIKMNY-UHFFFAOYSA-N 1 2 399.447 3.386 20 5 GGBDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283712808 1435908986 /nfs/dbraw/zinc/90/89/86/1435908986.db2.gz ZQRAJLQJNQZSPV-UHFFFAOYSA-N 1 2 396.440 3.038 20 5 GGBDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283712808 1435908990 /nfs/dbraw/zinc/90/89/90/1435908990.db2.gz ZQRAJLQJNQZSPV-UHFFFAOYSA-N 1 2 396.440 3.038 20 5 GGBDLO CC(=O)c1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000283788086 1435923545 /nfs/dbraw/zinc/92/35/45/1435923545.db2.gz RKUXYIDMZHEYQW-UHFFFAOYSA-N 1 2 399.447 3.121 20 5 GGBDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000284717597 1436042729 /nfs/dbraw/zinc/04/27/29/1436042729.db2.gz JDNZVCPBQAOAIT-GFCCVEGCSA-N 1 2 389.433 3.380 20 5 GGBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001164916841 721815072 /nfs/dbraw/zinc/81/50/72/721815072.db2.gz IINXZFCITOJSAX-UHFFFAOYSA-N 1 2 392.463 3.089 20 5 GGBDLO C[C@H]([NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001593298523 994715381 /nfs/dbraw/zinc/71/53/81/994715381.db2.gz KMCHJJDWIHGYPU-AWEZNQCLSA-N 1 2 396.403 3.095 20 5 GGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000225437389 222677454 /nfs/dbraw/zinc/67/74/54/222677454.db2.gz UEOKBEBUNBXUDK-UHFFFAOYSA-N 1 2 389.375 3.126 20 5 GGBDLO Cn1cc([C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000359957650 212127779 /nfs/dbraw/zinc/12/77/79/212127779.db2.gz HZWUNSTZNWCJSC-IBGZPJMESA-N 1 2 399.838 3.299 20 5 GGBDLO COc1ccccc1[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000012507622 221200366 /nfs/dbraw/zinc/20/03/66/221200366.db2.gz NKCRLAWUIJPSHM-QGZVFWFLSA-N 1 2 381.392 3.248 20 5 GGBDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012754069 221226028 /nfs/dbraw/zinc/22/60/28/221226028.db2.gz UZQLUJZZQJMNHH-GOSISDBHSA-N 1 2 389.839 3.052 20 5 GGBDLO C[NH+](C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccco1 ZINC000012758192 221226912 /nfs/dbraw/zinc/22/69/12/221226912.db2.gz FTZRJYMPGLJJDQ-HXUWFJFHSA-N 1 2 389.455 3.167 20 5 GGBDLO C[NH+](C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccco1 ZINC000012758188 221227377 /nfs/dbraw/zinc/22/73/77/221227377.db2.gz FTZRJYMPGLJJDQ-FQEVSTJZSA-N 1 2 389.455 3.167 20 5 GGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012981086 221252427 /nfs/dbraw/zinc/25/24/27/221252427.db2.gz QBTBPJQRHWXLMC-OAHLLOKOSA-N 1 2 396.447 3.273 20 5 GGBDLO O=C(c1ccc(Cl)cc1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000036394256 221856784 /nfs/dbraw/zinc/85/67/84/221856784.db2.gz OLYCSTZWPUMDRW-UHFFFAOYSA-N 1 2 389.839 3.085 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120294605 564313740 /nfs/dbraw/zinc/31/37/40/564313740.db2.gz FMAFRDWNQMVVEM-ZDUSSCGKSA-N 1 2 379.214 3.448 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(n2cc[nH+]c2)CC1 ZINC000120312446 564314946 /nfs/dbraw/zinc/31/49/46/564314946.db2.gz VUPBCHFFWUECPI-UHFFFAOYSA-N 1 2 379.214 3.031 20 5 GGBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)o1 ZINC000023819803 564327644 /nfs/dbraw/zinc/32/76/44/564327644.db2.gz WXKIXNJAZYANKL-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)o1 ZINC000023819803 564327650 /nfs/dbraw/zinc/32/76/50/564327650.db2.gz WXKIXNJAZYANKL-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3Br)CC2)cn1 ZINC000026485091 564347132 /nfs/dbraw/zinc/34/71/32/564347132.db2.gz VQAHWCIUJBKIKM-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)cc3Br)CC2)cn1 ZINC000026595351 564348120 /nfs/dbraw/zinc/34/81/20/564348120.db2.gz QQHVIKJFKAUHMZ-UHFFFAOYSA-N 1 2 395.232 3.214 20 5 GGBDLO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000121422725 564368969 /nfs/dbraw/zinc/36/89/69/564368969.db2.gz MNHGJYIUYDFCNX-LBPRGKRZSA-N 1 2 384.845 3.196 20 5 GGBDLO CN(C(=O)C[N@H+](C)Cc1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1 ZINC000030217025 564378000 /nfs/dbraw/zinc/37/80/00/564378000.db2.gz PGGQXFBGXIKXGZ-UHFFFAOYSA-N 1 2 382.214 3.045 20 5 GGBDLO CN(C(=O)C[N@@H+](C)Cc1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1 ZINC000030217025 564378005 /nfs/dbraw/zinc/37/80/05/564378005.db2.gz PGGQXFBGXIKXGZ-UHFFFAOYSA-N 1 2 382.214 3.045 20 5 GGBDLO O=[N+]([O-])c1cc(I)ccc1NCc1cn2ccccc2[nH+]1 ZINC000032927111 564407861 /nfs/dbraw/zinc/40/78/61/564407861.db2.gz HTIQUIYYRSJRPX-UHFFFAOYSA-N 1 2 394.172 3.459 20 5 GGBDLO O=C(Nc1cc(Br)ccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000123343607 564446205 /nfs/dbraw/zinc/44/62/05/564446205.db2.gz OUVPIVWOJXGXHU-UHFFFAOYSA-N 1 2 388.181 3.190 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000124122446 564472485 /nfs/dbraw/zinc/47/24/85/564472485.db2.gz MFDUOUMPNSVPGA-IAQYHMDHSA-N 1 2 393.241 3.277 20 5 GGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000124575572 564486954 /nfs/dbraw/zinc/48/69/54/564486954.db2.gz GADRZCMDACGGEV-GFCCVEGCSA-N 1 2 384.845 3.196 20 5 GGBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000124601100 564487522 /nfs/dbraw/zinc/48/75/22/564487522.db2.gz HPCGRTWLVBMNGG-CYBMUJFWSA-N 1 2 379.214 3.448 20 5 GGBDLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000055052793 564613578 /nfs/dbraw/zinc/61/35/78/564613578.db2.gz LMRQUJXKUPMLJS-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000055052793 564613582 /nfs/dbraw/zinc/61/35/82/564613582.db2.gz LMRQUJXKUPMLJS-UHFFFAOYSA-N 1 2 382.214 3.329 20 5 GGBDLO O=[N+]([O-])c1cc(Br)cnc1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000129876958 564663039 /nfs/dbraw/zinc/66/30/39/564663039.db2.gz GSVLMTXCYBLFSB-UHFFFAOYSA-N 1 2 393.241 3.457 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000057335855 564665879 /nfs/dbraw/zinc/66/58/79/564665879.db2.gz RAEQISIWIFOZHK-UHFFFAOYSA-N 1 2 377.242 3.075 20 5 GGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000057792744 564674192 /nfs/dbraw/zinc/67/41/92/564674192.db2.gz QDOWOSATSZJPDL-UHFFFAOYSA-N 1 2 376.722 3.279 20 5 GGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000130591565 564685807 /nfs/dbraw/zinc/68/58/07/564685807.db2.gz BMRBAYOKNQHUFK-CQSZACIVSA-N 1 2 393.241 3.377 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2ncn(Cc3cn4cc(Br)ccc4[nH+]3)n2)c1 ZINC000131773969 564723480 /nfs/dbraw/zinc/72/34/80/564723480.db2.gz VVZWAWNMDYOLDI-UHFFFAOYSA-N 1 2 399.208 3.312 20 5 GGBDLO O=[N+]([O-])c1sccc1N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000064115011 564726004 /nfs/dbraw/zinc/72/60/04/564726004.db2.gz JDPYSSOTZQXYGX-UHFFFAOYSA-N 1 2 377.857 3.280 20 5 GGBDLO Cc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000136963782 564857449 /nfs/dbraw/zinc/85/74/49/564857449.db2.gz MMYOGIVKEPLQMW-INIZCTEOSA-N 1 2 392.253 3.324 20 5 GGBDLO Cc1ccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000136963782 564857451 /nfs/dbraw/zinc/85/74/51/564857451.db2.gz MMYOGIVKEPLQMW-INIZCTEOSA-N 1 2 392.253 3.324 20 5 GGBDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093815065 564890627 /nfs/dbraw/zinc/89/06/27/564890627.db2.gz GDTAQIPUARICTI-UHFFFAOYSA-N 1 2 393.303 3.002 20 5 GGBDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093815065 564890629 /nfs/dbraw/zinc/89/06/29/564890629.db2.gz GDTAQIPUARICTI-UHFFFAOYSA-N 1 2 393.303 3.002 20 5 GGBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000095449760 564899191 /nfs/dbraw/zinc/89/91/91/564899191.db2.gz DXYDBSADHSUTSK-OAHLLOKOSA-N 1 2 378.226 3.016 20 5 GGBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000095449760 564899193 /nfs/dbraw/zinc/89/91/93/564899193.db2.gz DXYDBSADHSUTSK-OAHLLOKOSA-N 1 2 378.226 3.016 20 5 GGBDLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000154033957 565022792 /nfs/dbraw/zinc/02/27/92/565022792.db2.gz NXOXZHLXLPCING-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000155137099 565062607 /nfs/dbraw/zinc/06/26/07/565062607.db2.gz KQNIWZOJIGLXNN-UHFFFAOYSA-N 1 2 394.229 3.423 20 5 GGBDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000184165430 565117181 /nfs/dbraw/zinc/11/71/81/565117181.db2.gz GYTNFOVSLMCPFI-VIFPVBQESA-N 1 2 399.270 3.412 20 5 GGBDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000184165413 565117437 /nfs/dbraw/zinc/11/74/37/565117437.db2.gz GYTNFOVSLMCPFI-SECBINFHSA-N 1 2 399.270 3.412 20 5 GGBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267442752 565117955 /nfs/dbraw/zinc/11/79/55/565117955.db2.gz CKLYOWXKFUWHII-SNVBAGLBSA-N 1 2 379.214 3.100 20 5 GGBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267497994 565119543 /nfs/dbraw/zinc/11/95/43/565119543.db2.gz ZLOSPBYHDCOCSF-UHFFFAOYSA-N 1 2 379.214 3.100 20 5 GGBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267922802 565134513 /nfs/dbraw/zinc/13/45/13/565134513.db2.gz KKGTZCPXOSMEIH-VIFPVBQESA-N 1 2 397.204 3.239 20 5 GGBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCS(=O)(=O)C1 ZINC000157545837 565135898 /nfs/dbraw/zinc/13/58/98/565135898.db2.gz LHFBPFGTVQTHLB-LBPRGKRZSA-N 1 2 384.841 3.127 20 5 GGBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCS(=O)(=O)C1 ZINC000157545837 565135902 /nfs/dbraw/zinc/13/59/02/565135902.db2.gz LHFBPFGTVQTHLB-LBPRGKRZSA-N 1 2 384.841 3.127 20 5 GGBDLO C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000268410247 565151085 /nfs/dbraw/zinc/15/10/85/565151085.db2.gz YEHIBILYZVMTNR-NHYWBVRUSA-N 1 2 393.241 3.277 20 5 GGBDLO NC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000185036142 565172710 /nfs/dbraw/zinc/17/27/10/565172710.db2.gz DXNUINUYBBNIHB-AWEZNQCLSA-N 1 2 398.644 3.327 20 5 GGBDLO Cc1c(Br)cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000371044292 565174380 /nfs/dbraw/zinc/17/43/80/565174380.db2.gz QIDDGFIKAGXHRC-LLVKDONJSA-N 1 2 393.241 3.029 20 5 GGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270756538 565227327 /nfs/dbraw/zinc/22/73/27/565227327.db2.gz VYLXZJXQTKKKDJ-UHFFFAOYSA-N 1 2 376.722 3.279 20 5 GGBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)C1 ZINC000272351004 565285169 /nfs/dbraw/zinc/28/51/69/565285169.db2.gz AFAOBDHDLFDAFS-CYBMUJFWSA-N 1 2 397.229 3.189 20 5 GGBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)C1 ZINC000272351004 565285174 /nfs/dbraw/zinc/28/51/74/565285174.db2.gz AFAOBDHDLFDAFS-CYBMUJFWSA-N 1 2 397.229 3.189 20 5 GGBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163430368 565346443 /nfs/dbraw/zinc/34/64/43/565346443.db2.gz JVTIYSYRFCCOJS-UHFFFAOYSA-N 1 2 375.328 3.224 20 5 GGBDLO Cc1c(Br)cc(C(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000163882858 565352278 /nfs/dbraw/zinc/35/22/78/565352278.db2.gz GWIAKSYBIQHVQY-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000375053745 565365571 /nfs/dbraw/zinc/36/55/71/565365571.db2.gz YVYGUHMZJXUHPB-LBPRGKRZSA-N 1 2 393.241 3.340 20 5 GGBDLO CSc1cccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000188079294 565376462 /nfs/dbraw/zinc/37/64/62/565376462.db2.gz KTMHBUYZGPRHTN-UHFFFAOYSA-N 1 2 377.491 3.166 20 5 GGBDLO CSc1cccc(C(=O)NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000188079294 565376465 /nfs/dbraw/zinc/37/64/65/565376465.db2.gz KTMHBUYZGPRHTN-UHFFFAOYSA-N 1 2 377.491 3.166 20 5 GGBDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000171758628 565449650 /nfs/dbraw/zinc/44/96/50/565449650.db2.gz RICYSDYHQIHKRV-ZUZCIYMTSA-N 1 2 378.226 3.235 20 5 GGBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000277118038 565477005 /nfs/dbraw/zinc/47/70/05/565477005.db2.gz FFZSYOMGWGMKDA-SNVBAGLBSA-N 1 2 379.214 3.100 20 5 GGBDLO O=[N+]([O-])c1ccc(Br)cc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000301362031 565481532 /nfs/dbraw/zinc/48/15/32/565481532.db2.gz QLSJTJWNDZTBIS-UHFFFAOYSA-N 1 2 393.241 3.201 20 5 GGBDLO Cc1cc(N2CC[NH+](Cc3ccc(Br)s3)CC2)ncc1[N+](=O)[O-] ZINC000301410949 565485436 /nfs/dbraw/zinc/48/54/36/565485436.db2.gz AXMUBKPNBGRVCC-UHFFFAOYSA-N 1 2 397.298 3.444 20 5 GGBDLO Cc1cccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000301558076 565495973 /nfs/dbraw/zinc/49/59/73/565495973.db2.gz SXNCLIAZSGLFSI-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO Cc1nc(N2CC[NH+](Cc3ccc(Br)s3)CC2)ccc1[N+](=O)[O-] ZINC000301619401 565499393 /nfs/dbraw/zinc/49/93/93/565499393.db2.gz DLIKPKFVHXOLRI-UHFFFAOYSA-N 1 2 397.298 3.444 20 5 GGBDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301681722 565504328 /nfs/dbraw/zinc/50/43/28/565504328.db2.gz JYCFAKWLLWRSMQ-UHFFFAOYSA-N 1 2 394.204 3.433 20 5 GGBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3ccccc3Cl)CC2)nc2sccn21 ZINC000301717548 565506702 /nfs/dbraw/zinc/50/67/02/565506702.db2.gz ODBOBMYNNQNGTC-UHFFFAOYSA-N 1 2 377.857 3.280 20 5 GGBDLO O=[N+]([O-])c1cncc(Br)c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000301835364 565513374 /nfs/dbraw/zinc/51/33/74/565513374.db2.gz LDDCBAYFEURKNK-UHFFFAOYSA-N 1 2 391.269 3.117 20 5 GGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)CCC2 ZINC000378244456 565517747 /nfs/dbraw/zinc/51/77/47/565517747.db2.gz PXDCDXNGGKRCGL-LLVKDONJSA-N 1 2 393.241 3.170 20 5 GGBDLO Cc1c(Br)cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000378521790 565533152 /nfs/dbraw/zinc/53/31/52/565533152.db2.gz VTCJZYUZPLBTMC-GFCCVEGCSA-N 1 2 379.214 3.366 20 5 GGBDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302715522 565551857 /nfs/dbraw/zinc/55/18/57/565551857.db2.gz YAPKPPHYKIVHNY-UHFFFAOYSA-N 1 2 377.242 3.387 20 5 GGBDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173964377 565601867 /nfs/dbraw/zinc/60/18/67/565601867.db2.gz SHCYRJLYYQDESU-PSLIRLAXSA-N 1 2 396.216 3.374 20 5 GGBDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173964390 565603420 /nfs/dbraw/zinc/60/34/20/565603420.db2.gz SHCYRJLYYQDESU-BJOHPYRUSA-N 1 2 396.216 3.374 20 5 GGBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cn1 ZINC000279668997 565626126 /nfs/dbraw/zinc/62/61/26/565626126.db2.gz HJHQLZNWUFUIRH-SNVBAGLBSA-N 1 2 394.225 3.470 20 5 GGBDLO CCc1nsc(N2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000174512968 565640814 /nfs/dbraw/zinc/64/08/14/565640814.db2.gz MVMMDLWQIPJBDD-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO CCc1nsc(N2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000174512968 565640818 /nfs/dbraw/zinc/64/08/18/565640818.db2.gz MVMMDLWQIPJBDD-UHFFFAOYSA-N 1 2 381.889 3.374 20 5 GGBDLO O=C(CC[N@@H+]1CCSC[C@@H]1c1nccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411550021 565735953 /nfs/dbraw/zinc/73/59/53/565735953.db2.gz IUWRRFKTOLDBPB-CQSZACIVSA-N 1 2 378.479 3.170 20 5 GGBDLO O=C(CC[N@H+]1CCSC[C@@H]1c1nccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411550021 565735955 /nfs/dbraw/zinc/73/59/55/565735955.db2.gz IUWRRFKTOLDBPB-CQSZACIVSA-N 1 2 378.479 3.170 20 5 GGBDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000282722552 565793949 /nfs/dbraw/zinc/79/39/49/565793949.db2.gz LQGRWKUABOWVKF-ZDUSSCGKSA-N 1 2 384.841 3.127 20 5 GGBDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000282722552 565793953 /nfs/dbraw/zinc/79/39/53/565793953.db2.gz LQGRWKUABOWVKF-ZDUSSCGKSA-N 1 2 384.841 3.127 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000283271295 565813918 /nfs/dbraw/zinc/81/39/18/565813918.db2.gz ASMNLNRHDPHJTP-NSHDSACASA-N 1 2 393.241 3.409 20 5 GGBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177110245 565829677 /nfs/dbraw/zinc/82/96/77/565829677.db2.gz JYXOFXMYLMXGLL-UHFFFAOYSA-N 1 2 393.241 3.374 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000283952054 565837012 /nfs/dbraw/zinc/83/70/12/565837012.db2.gz NJFUHESRIJAPAY-UHFFFAOYSA-N 1 2 393.241 3.340 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284360503 565850443 /nfs/dbraw/zinc/85/04/43/565850443.db2.gz DJLXJUDKBZQSHZ-HIFRSBDPSA-N 1 2 388.251 3.058 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284360503 565850450 /nfs/dbraw/zinc/85/04/50/565850450.db2.gz DJLXJUDKBZQSHZ-HIFRSBDPSA-N 1 2 388.251 3.058 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c([N+](=O)[O-])c1 ZINC000284719605 565866907 /nfs/dbraw/zinc/86/69/07/565866907.db2.gz JMVGOKQMTMRRBS-HIFRSBDPSA-N 1 2 388.251 3.058 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c([N+](=O)[O-])c1 ZINC000284719605 565866908 /nfs/dbraw/zinc/86/69/08/565866908.db2.gz JMVGOKQMTMRRBS-HIFRSBDPSA-N 1 2 388.251 3.058 20 5 GGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)CCC2 ZINC000362442055 565981061 /nfs/dbraw/zinc/98/10/61/565981061.db2.gz MYPNXIKDQGMGLZ-NSHDSACASA-N 1 2 393.241 3.170 20 5 GGBDLO COc1cc(C[N@H+](C)Cc2cc(Br)cn2C)c([N+](=O)[O-])cc1OC ZINC000180614522 566076787 /nfs/dbraw/zinc/07/67/87/566076787.db2.gz VCIXZNBGCVHUOY-UHFFFAOYSA-N 1 2 398.257 3.345 20 5 GGBDLO COc1cc(C[N@@H+](C)Cc2cc(Br)cn2C)c([N+](=O)[O-])cc1OC ZINC000180614522 566076791 /nfs/dbraw/zinc/07/67/91/566076791.db2.gz VCIXZNBGCVHUOY-UHFFFAOYSA-N 1 2 398.257 3.345 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000180795165 566089579 /nfs/dbraw/zinc/08/95/79/566089579.db2.gz YAXHXKPZKRPQGT-UHFFFAOYSA-N 1 2 375.328 3.056 20 5 GGBDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000180809747 566090172 /nfs/dbraw/zinc/09/01/72/566090172.db2.gz MKRUCFGUGCCUCT-LLVKDONJSA-N 1 2 393.241 3.384 20 5 GGBDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000180809747 566090178 /nfs/dbraw/zinc/09/01/78/566090178.db2.gz MKRUCFGUGCCUCT-LLVKDONJSA-N 1 2 393.241 3.384 20 5 GGBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(F)(F)F ZINC000289549596 566128351 /nfs/dbraw/zinc/12/83/51/566128351.db2.gz UGTPVDBPUIDLIN-JTQLQIEISA-N 1 2 379.766 3.139 20 5 GGBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(F)(F)F ZINC000289549596 566128354 /nfs/dbraw/zinc/12/83/54/566128354.db2.gz UGTPVDBPUIDLIN-JTQLQIEISA-N 1 2 379.766 3.139 20 5 GGBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000366805378 566171402 /nfs/dbraw/zinc/17/14/02/566171402.db2.gz UTIWSDKGMWZXLQ-UHFFFAOYSA-N 1 2 398.282 3.297 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000366930335 566176867 /nfs/dbraw/zinc/17/68/67/566176867.db2.gz AMLWBUVHPRVZRY-NSHDSACASA-N 1 2 393.241 3.029 20 5 GGBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182330538 566197525 /nfs/dbraw/zinc/19/75/25/566197525.db2.gz FXNYFLQUPHVXLY-LLVKDONJSA-N 1 2 383.857 3.089 20 5 GGBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182330538 566197529 /nfs/dbraw/zinc/19/75/29/566197529.db2.gz FXNYFLQUPHVXLY-LLVKDONJSA-N 1 2 383.857 3.089 20 5 GGBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182330512 566197638 /nfs/dbraw/zinc/19/76/38/566197638.db2.gz FXNYFLQUPHVXLY-NSHDSACASA-N 1 2 383.857 3.089 20 5 GGBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182330512 566197644 /nfs/dbraw/zinc/19/76/44/566197644.db2.gz FXNYFLQUPHVXLY-NSHDSACASA-N 1 2 383.857 3.089 20 5 GGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263953301 566202416 /nfs/dbraw/zinc/20/24/16/566202416.db2.gz FFQQNQJCIWSERP-UHFFFAOYSA-N 1 2 376.722 3.279 20 5 GGBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000599305411 566253838 /nfs/dbraw/zinc/25/38/38/566253838.db2.gz XRVYFDQZPUTXLL-JTQLQIEISA-N 1 2 379.214 3.100 20 5 GGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c(F)c1 ZINC000508991241 566254251 /nfs/dbraw/zinc/25/42/51/566254251.db2.gz LNMIIVQAWIMBKZ-HNNXBMFYSA-N 1 2 387.180 3.459 20 5 GGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000462428943 566301414 /nfs/dbraw/zinc/30/14/14/566301414.db2.gz OFLCGSVNNUEJRE-UHFFFAOYSA-N 1 2 396.296 3.056 20 5 GGBDLO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ncc1Br ZINC000600116128 566315955 /nfs/dbraw/zinc/31/59/55/566315955.db2.gz LASKDIRAKLOYDO-GFCCVEGCSA-N 1 2 392.257 3.142 20 5 GGBDLO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ncc1Br ZINC000600116128 566315959 /nfs/dbraw/zinc/31/59/59/566315959.db2.gz LASKDIRAKLOYDO-GFCCVEGCSA-N 1 2 392.257 3.142 20 5 GGBDLO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ncc1Br ZINC000600155610 566319155 /nfs/dbraw/zinc/31/91/55/566319155.db2.gz HWNGYZUPADRQCE-UHFFFAOYSA-N 1 2 380.246 3.094 20 5 GGBDLO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000536746053 566398168 /nfs/dbraw/zinc/39/81/68/566398168.db2.gz VHEBQFMLLYHZKL-GXFFZTMASA-N 1 2 385.251 3.078 20 5 GGBDLO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000536746053 566398170 /nfs/dbraw/zinc/39/81/70/566398170.db2.gz VHEBQFMLLYHZKL-GXFFZTMASA-N 1 2 385.251 3.078 20 5 GGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2c(Br)cnn2C)cc1[N+](=O)[O-] ZINC000601292805 566398404 /nfs/dbraw/zinc/39/84/04/566398404.db2.gz TWEQVLRKLYTMNZ-SNVBAGLBSA-N 1 2 383.246 3.340 20 5 GGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2c(Br)cnn2C)cc1[N+](=O)[O-] ZINC000601292804 566398860 /nfs/dbraw/zinc/39/88/60/566398860.db2.gz TWEQVLRKLYTMNZ-JTQLQIEISA-N 1 2 383.246 3.340 20 5 GGBDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000537301031 566438069 /nfs/dbraw/zinc/43/80/69/566438069.db2.gz ACLFOVCUMWDWNK-UHFFFAOYSA-N 1 2 389.524 3.038 20 5 GGBDLO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCCCn1cc[nH+]c1 ZINC000537604596 566455819 /nfs/dbraw/zinc/45/58/19/566455819.db2.gz KHIURKYRGVPYQA-UHFFFAOYSA-N 1 2 390.241 3.416 20 5 GGBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602554017 566478374 /nfs/dbraw/zinc/47/83/74/566478374.db2.gz YKXWBNLCJAJQNQ-LBPRGKRZSA-N 1 2 387.255 3.251 20 5 GGBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000602629128 566481661 /nfs/dbraw/zinc/48/16/61/566481661.db2.gz INWKNBPPVGIHEF-UHFFFAOYSA-N 1 2 394.396 3.368 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000511678217 566482181 /nfs/dbraw/zinc/48/21/81/566482181.db2.gz WTZWCUKBVXNEIZ-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602652259 566484467 /nfs/dbraw/zinc/48/44/67/566484467.db2.gz BCWSIJAMRMSMCT-JTQLQIEISA-N 1 2 390.303 3.300 20 5 GGBDLO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602652259 566484473 /nfs/dbraw/zinc/48/44/73/566484473.db2.gz BCWSIJAMRMSMCT-JTQLQIEISA-N 1 2 390.303 3.300 20 5 GGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000578042202 566486489 /nfs/dbraw/zinc/48/64/89/566486489.db2.gz KRQRKGXEIODLHX-UHFFFAOYSA-N 1 2 393.245 3.450 20 5 GGBDLO CCc1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)on1 ZINC000578102235 566491685 /nfs/dbraw/zinc/49/16/85/566491685.db2.gz YQQDTFNYYVNDRE-UHFFFAOYSA-N 1 2 387.177 3.040 20 5 GGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000602826307 566495162 /nfs/dbraw/zinc/49/51/62/566495162.db2.gz LKTPANHCWPUOHD-CQSZACIVSA-N 1 2 380.246 3.094 20 5 GGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000602826307 566495163 /nfs/dbraw/zinc/49/51/63/566495163.db2.gz LKTPANHCWPUOHD-CQSZACIVSA-N 1 2 380.246 3.094 20 5 GGBDLO CO[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449495160 566569782 /nfs/dbraw/zinc/56/97/82/566569782.db2.gz HLGALVKFBIJGHE-HZMBPMFUSA-N 1 2 390.221 3.056 20 5 GGBDLO CO[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449495160 566569785 /nfs/dbraw/zinc/56/97/85/566569785.db2.gz HLGALVKFBIJGHE-HZMBPMFUSA-N 1 2 390.221 3.056 20 5 GGBDLO CO[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000449495164 566570005 /nfs/dbraw/zinc/57/00/05/566570005.db2.gz HLGALVKFBIJGHE-QMTHXVAHSA-N 1 2 390.221 3.056 20 5 GGBDLO CO[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000449495164 566570008 /nfs/dbraw/zinc/57/00/08/566570008.db2.gz HLGALVKFBIJGHE-QMTHXVAHSA-N 1 2 390.221 3.056 20 5 GGBDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425409993 566640229 /nfs/dbraw/zinc/64/02/29/566640229.db2.gz WYBHFFGHSOUSJW-UHFFFAOYSA-N 1 2 398.282 3.167 20 5 GGBDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425409993 566640234 /nfs/dbraw/zinc/64/02/34/566640234.db2.gz WYBHFFGHSOUSJW-UHFFFAOYSA-N 1 2 398.282 3.167 20 5 GGBDLO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000425419868 566641453 /nfs/dbraw/zinc/64/14/53/566641453.db2.gz ODPPKONUTFCHBN-CVEARBPZSA-N 1 2 399.285 3.109 20 5 GGBDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000425416112 566642018 /nfs/dbraw/zinc/64/20/18/566642018.db2.gz JVXUHHPMGJKGIX-UHFFFAOYSA-N 1 2 391.269 3.383 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000425448738 566645551 /nfs/dbraw/zinc/64/55/51/566645551.db2.gz VODPWRAEZBXSRP-QGZVFWFLSA-N 1 2 393.237 3.117 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000425481413 566648966 /nfs/dbraw/zinc/64/89/66/566648966.db2.gz PTTUWDQJYKHXSQ-MFKMUULPSA-N 1 2 397.191 3.493 20 5 GGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000425481413 566648970 /nfs/dbraw/zinc/64/89/70/566648970.db2.gz PTTUWDQJYKHXSQ-MFKMUULPSA-N 1 2 397.191 3.493 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450254153 566649872 /nfs/dbraw/zinc/64/98/72/566649872.db2.gz SBUZPDKDJBCDDM-UHFFFAOYSA-N 1 2 379.869 3.310 20 5 GGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CCO)c1ccccc1Br ZINC000561033398 566670406 /nfs/dbraw/zinc/67/04/06/566670406.db2.gz KGYQTJUBFMBCAX-OAHLLOKOSA-N 1 2 381.226 3.276 20 5 GGBDLO Cc1c(Br)cc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000561114213 566678281 /nfs/dbraw/zinc/67/82/81/566678281.db2.gz PFPIKEJIPVDOBF-CQSZACIVSA-N 1 2 393.241 3.280 20 5 GGBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000561300975 566693539 /nfs/dbraw/zinc/69/35/39/566693539.db2.gz ZSZCBNXHDDDWAF-LBPRGKRZSA-N 1 2 382.251 3.402 20 5 GGBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000561300975 566693541 /nfs/dbraw/zinc/69/35/41/566693541.db2.gz ZSZCBNXHDDDWAF-LBPRGKRZSA-N 1 2 382.251 3.402 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488193117 566712479 /nfs/dbraw/zinc/71/24/79/566712479.db2.gz ZIKSCMKNXCDVIU-UHFFFAOYSA-N 1 2 395.253 3.360 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488193117 566712488 /nfs/dbraw/zinc/71/24/88/566712488.db2.gz ZIKSCMKNXCDVIU-UHFFFAOYSA-N 1 2 395.253 3.360 20 5 GGBDLO Cc1c(Br)c(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000541578928 566735234 /nfs/dbraw/zinc/73/52/34/566735234.db2.gz OUNVPMWGNVLUAR-QWHCGFSZSA-N 1 2 399.289 3.116 20 5 GGBDLO CO[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000581517201 566785357 /nfs/dbraw/zinc/78/53/57/566785357.db2.gz SQQIFKCNDNXDLK-HZMBPMFUSA-N 1 2 390.221 3.199 20 5 GGBDLO CO[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000581517201 566785359 /nfs/dbraw/zinc/78/53/59/566785359.db2.gz SQQIFKCNDNXDLK-HZMBPMFUSA-N 1 2 390.221 3.199 20 5 GGBDLO Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC000542759618 566826184 /nfs/dbraw/zinc/82/61/84/566826184.db2.gz ARXPSKHQVTVULV-UHFFFAOYSA-N 1 2 375.328 3.056 20 5 GGBDLO Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])cc3Br)[nH+]c12 ZINC000610512615 566838374 /nfs/dbraw/zinc/83/83/74/566838374.db2.gz XKONWABBJUXVKN-UHFFFAOYSA-N 1 2 376.214 3.363 20 5 GGBDLO Cc1c(Br)c(N(C)Cc2cn3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC000428662940 566866329 /nfs/dbraw/zinc/86/63/29/566866329.db2.gz HWDBGXNCBOKZKT-UHFFFAOYSA-N 1 2 380.246 3.230 20 5 GGBDLO Cc1c(Br)c(NCc2cc[nH+]c(N3CCCC3)c2)ncc1[N+](=O)[O-] ZINC000543434737 566880489 /nfs/dbraw/zinc/88/04/89/566880489.db2.gz IFVPEJDKWMJKHH-UHFFFAOYSA-N 1 2 392.257 3.090 20 5 GGBDLO Cc1c(Br)c(NCCCc2[nH]c3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000543435422 566880719 /nfs/dbraw/zinc/88/07/19/566880719.db2.gz SFHLGXWXPAKLJD-UHFFFAOYSA-N 1 2 390.241 3.404 20 5 GGBDLO Cc1c(Br)cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000611076072 566886967 /nfs/dbraw/zinc/88/69/67/566886967.db2.gz JAYHYLYZJQKRNF-ZDUSSCGKSA-N 1 2 393.241 3.340 20 5 GGBDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543859193 566917999 /nfs/dbraw/zinc/91/79/99/566917999.db2.gz NMNFBBWGBVQTPW-NSHDSACASA-N 1 2 383.857 3.089 20 5 GGBDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543859193 566918003 /nfs/dbraw/zinc/91/80/03/566918003.db2.gz NMNFBBWGBVQTPW-NSHDSACASA-N 1 2 383.857 3.089 20 5 GGBDLO Cc1ccn2cc(CNc3ncc([N+](=O)[O-])c(C)c3Br)[nH+]c2c1 ZINC000544410289 566961143 /nfs/dbraw/zinc/96/11/43/566961143.db2.gz DJALJVCAAXOTRQ-UHFFFAOYSA-N 1 2 376.214 3.051 20 5 GGBDLO Cc1c(Br)c(NCc2cccc(-c3[nH]cc[nH+]3)c2)ncc1[N+](=O)[O-] ZINC000544396460 566961267 /nfs/dbraw/zinc/96/12/67/566961267.db2.gz CVSWDUCXAAFUBF-UHFFFAOYSA-N 1 2 388.225 3.485 20 5 GGBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452331086 566962675 /nfs/dbraw/zinc/96/26/75/566962675.db2.gz JLYQSLZZOFSEDM-UHFFFAOYSA-N 1 2 379.214 3.451 20 5 GGBDLO Cc1c(Br)cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000612346035 566966703 /nfs/dbraw/zinc/96/67/03/566966703.db2.gz BTKRCIZWHBITCG-UHFFFAOYSA-N 1 2 379.214 3.379 20 5 GGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000564558507 566987747 /nfs/dbraw/zinc/98/77/47/566987747.db2.gz JAYLQXWKTKNSII-JTQLQIEISA-N 1 2 376.214 3.025 20 5 GGBDLO CSc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000584561560 567053712 /nfs/dbraw/zinc/05/37/12/567053712.db2.gz PEDGZKFRDDIJSC-UHFFFAOYSA-N 1 2 377.491 3.336 20 5 GGBDLO COc1cc[nH+]cc1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584867940 567075957 /nfs/dbraw/zinc/07/59/57/567075957.db2.gz OUQTZGFROHEVMQ-UHFFFAOYSA-N 1 2 385.161 3.215 20 5 GGBDLO C[C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)n1cc[nH+]c1 ZINC000565719192 567093297 /nfs/dbraw/zinc/09/32/97/567093297.db2.gz CVFICQXMNVJQAW-SNVBAGLBSA-N 1 2 392.213 3.331 20 5 GGBDLO Cc1cc(Br)cn2cc(CNc3cc(C)c([N+](=O)[O-])cn3)[nH+]c12 ZINC000546051631 567099242 /nfs/dbraw/zinc/09/92/42/567099242.db2.gz YJZVKAGGYMHPCR-UHFFFAOYSA-N 1 2 376.214 3.051 20 5 GGBDLO CCO[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589254195 567170404 /nfs/dbraw/zinc/17/04/04/567170404.db2.gz PPUSJOVXKCQAME-CQSZACIVSA-N 1 2 390.221 3.200 20 5 GGBDLO CCO[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589254195 567170408 /nfs/dbraw/zinc/17/04/08/567170408.db2.gz PPUSJOVXKCQAME-CQSZACIVSA-N 1 2 390.221 3.200 20 5 GGBDLO CC[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000566943461 567204362 /nfs/dbraw/zinc/20/43/62/567204362.db2.gz RUVHFSSFTMLUEQ-CQSZACIVSA-N 1 2 390.221 3.200 20 5 GGBDLO CC[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000566943461 567204367 /nfs/dbraw/zinc/20/43/67/567204367.db2.gz RUVHFSSFTMLUEQ-CQSZACIVSA-N 1 2 390.221 3.200 20 5 GGBDLO Cc1c(Br)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ncc1[N+](=O)[O-] ZINC000432917583 567205079 /nfs/dbraw/zinc/20/50/79/567205079.db2.gz LPEPDMAFXRNYOS-GFCCVEGCSA-N 1 2 379.214 3.113 20 5 GGBDLO O=[N+]([O-])c1cncc(Br)c1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000500259979 567311306 /nfs/dbraw/zinc/31/13/06/567311306.db2.gz CCFBJYMDKZTZFT-UHFFFAOYSA-N 1 2 392.257 3.172 20 5 GGBDLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000500796318 567345865 /nfs/dbraw/zinc/34/58/65/567345865.db2.gz RGYXIKICOUPVHI-UHFFFAOYSA-N 1 2 383.857 3.419 20 5 GGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000456354596 567365533 /nfs/dbraw/zinc/36/55/33/567365533.db2.gz NPXSCWDYVPMXKJ-JTQLQIEISA-N 1 2 381.230 3.373 20 5 GGBDLO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000435442105 567368324 /nfs/dbraw/zinc/36/83/24/567368324.db2.gz GPJCEWNKTNPASI-LLVKDONJSA-N 1 2 396.296 3.053 20 5 GGBDLO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000435442105 567368328 /nfs/dbraw/zinc/36/83/28/567368328.db2.gz GPJCEWNKTNPASI-LLVKDONJSA-N 1 2 396.296 3.053 20 5 GGBDLO Cc1c(CC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)cccc1[N+](=O)[O-] ZINC000456658069 567399506 /nfs/dbraw/zinc/39/95/06/567399506.db2.gz HRKYAHJDNHFJDA-UHFFFAOYSA-N 1 2 393.241 3.308 20 5 GGBDLO Cc1cc(C)c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC000456830556 567421367 /nfs/dbraw/zinc/42/13/67/567421367.db2.gz CYZIMIOOPFCOHI-UHFFFAOYSA-N 1 2 378.226 3.228 20 5 GGBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[nH+]1 ZINC000593735570 567437997 /nfs/dbraw/zinc/43/79/97/567437997.db2.gz QFRRXWMXIQMQEL-UHFFFAOYSA-N 1 2 381.230 3.362 20 5 GGBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccncc1 ZINC000502729422 567448528 /nfs/dbraw/zinc/44/85/28/567448528.db2.gz ACTBDRQFFYOALB-UHFFFAOYSA-N 1 2 393.241 3.213 20 5 GGBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccncc1 ZINC000502729422 567448530 /nfs/dbraw/zinc/44/85/30/567448530.db2.gz ACTBDRQFFYOALB-UHFFFAOYSA-N 1 2 393.241 3.213 20 5 GGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cn2cc(Br)ccc2[nH+]1 ZINC000479374102 567529276 /nfs/dbraw/zinc/52/92/76/567529276.db2.gz HXWFSAVKTGMHEU-UHFFFAOYSA-N 1 2 379.218 3.142 20 5 GGBDLO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000479478680 567538714 /nfs/dbraw/zinc/53/87/14/567538714.db2.gz WYQGTKAJADZROW-BMIGLBTASA-N 1 2 378.226 3.235 20 5 GGBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000595527353 567569710 /nfs/dbraw/zinc/56/97/10/567569710.db2.gz OLIMQZVWZIYUBI-UHFFFAOYSA-N 1 2 381.230 3.186 20 5 GGBDLO Cc1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(Br)c(C)[nH+]1 ZINC000596076517 567606281 /nfs/dbraw/zinc/60/62/81/567606281.db2.gz GRSFJTDKGRPGNH-UHFFFAOYSA-N 1 2 392.257 3.091 20 5 GGBDLO Cc1nc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(Br)c(C)[nH+]1 ZINC000596205231 567615918 /nfs/dbraw/zinc/61/59/18/567615918.db2.gz HFQSDENAORMTJI-UHFFFAOYSA-N 1 2 379.214 3.032 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)cn1 ZINC000531143169 567643424 /nfs/dbraw/zinc/64/34/24/567643424.db2.gz LJHFQIJLCOWPKL-UHFFFAOYSA-N 1 2 395.232 3.214 20 5 GGBDLO C[C@H]1CSCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572608023 567652177 /nfs/dbraw/zinc/65/21/77/567652177.db2.gz QTMFCSOHPGOMRL-VIFPVBQESA-N 1 2 378.235 3.137 20 5 GGBDLO C[C@H]1CSCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572608023 567652181 /nfs/dbraw/zinc/65/21/81/567652181.db2.gz QTMFCSOHPGOMRL-VIFPVBQESA-N 1 2 378.235 3.137 20 5 GGBDLO O=[N+]([O-])c1ccc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)nc1 ZINC000553578834 567668525 /nfs/dbraw/zinc/66/85/25/567668525.db2.gz QRQJIOYKKIFQST-UHFFFAOYSA-N 1 2 392.213 3.249 20 5 GGBDLO Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597013791 567670771 /nfs/dbraw/zinc/67/07/71/567670771.db2.gz MDGDHBNMODXOID-CYBMUJFWSA-N 1 2 392.257 3.142 20 5 GGBDLO Cc1c(Br)cncc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597013791 567670778 /nfs/dbraw/zinc/67/07/78/567670778.db2.gz MDGDHBNMODXOID-CYBMUJFWSA-N 1 2 392.257 3.142 20 5 GGBDLO Cc1c(Br)cncc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597013794 567671347 /nfs/dbraw/zinc/67/13/47/567671347.db2.gz MDGDHBNMODXOID-ZDUSSCGKSA-N 1 2 392.257 3.142 20 5 GGBDLO Cc1c(Br)cncc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597013794 567671357 /nfs/dbraw/zinc/67/13/57/567671357.db2.gz MDGDHBNMODXOID-ZDUSSCGKSA-N 1 2 392.257 3.142 20 5 GGBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1Cc1ccccc1 ZINC000553686287 567676430 /nfs/dbraw/zinc/67/64/30/567676430.db2.gz ABKQPJBQWDCWEH-OAHLLOKOSA-N 1 2 391.269 3.115 20 5 GGBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1Cc1ccccc1 ZINC000553686287 567676433 /nfs/dbraw/zinc/67/64/33/567676433.db2.gz ABKQPJBQWDCWEH-OAHLLOKOSA-N 1 2 391.269 3.115 20 5 GGBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cn2c1 ZINC000460331757 567684491 /nfs/dbraw/zinc/68/44/91/567684491.db2.gz WIPKNDQZMQPRKT-UHFFFAOYSA-N 1 2 389.209 3.243 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cscc3Br)CC2)cn1 ZINC000554849640 567752520 /nfs/dbraw/zinc/75/25/20/567752520.db2.gz ZAIFXNCVNPNXEY-UHFFFAOYSA-N 1 2 383.271 3.136 20 5 GGBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccs1 ZINC000533223570 567759656 /nfs/dbraw/zinc/75/96/56/567759656.db2.gz PZNRSUMPRZYPFP-UHFFFAOYSA-N 1 2 383.857 3.397 20 5 GGBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccs1 ZINC000533223570 567759661 /nfs/dbraw/zinc/75/96/61/567759661.db2.gz PZNRSUMPRZYPFP-UHFFFAOYSA-N 1 2 383.857 3.397 20 5 GGBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C)CS(=O)(=O)CC ZINC000555364840 567781239 /nfs/dbraw/zinc/78/12/39/567781239.db2.gz YZVFEKIRQHVBIN-LLVKDONJSA-N 1 2 382.404 3.259 20 5 GGBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C)CS(=O)(=O)CC ZINC000555364840 567781242 /nfs/dbraw/zinc/78/12/42/567781242.db2.gz YZVFEKIRQHVBIN-LLVKDONJSA-N 1 2 382.404 3.259 20 5 GGBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000599228984 567811155 /nfs/dbraw/zinc/81/11/55/567811155.db2.gz KFVPMQOZNRKOGC-UHFFFAOYSA-N 1 2 379.214 3.100 20 5 GGBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000023955876 570339866 /nfs/dbraw/zinc/33/98/66/570339866.db2.gz SFBSAUABPCFCON-UHFFFAOYSA-N 1 2 389.839 3.010 20 5 GGBDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000024334676 570511364 /nfs/dbraw/zinc/51/13/64/570511364.db2.gz GQOACPMWAHEGGC-QGZVFWFLSA-N 1 2 389.839 3.052 20 5 GGBDLO C[N@@H+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000053286516 1406356573 /nfs/dbraw/zinc/35/65/73/1406356573.db2.gz DTCVHNDXTXVAKY-FQEVSTJZSA-N 1 2 380.448 3.298 20 5 GGBDLO C[N@H+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000053286516 1406356581 /nfs/dbraw/zinc/35/65/81/1406356581.db2.gz DTCVHNDXTXVAKY-FQEVSTJZSA-N 1 2 380.448 3.298 20 5 GGBDLO Cn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053346108 1406369934 /nfs/dbraw/zinc/36/99/34/1406369934.db2.gz XAWNDNYWTPASHL-UHFFFAOYSA-N 1 2 388.387 3.433 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814923 1406523287 /nfs/dbraw/zinc/52/32/87/1406523287.db2.gz WSQJPTYMCAYCTB-CQSZACIVSA-N 1 2 397.431 3.425 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814923 1406523292 /nfs/dbraw/zinc/52/32/92/1406523292.db2.gz WSQJPTYMCAYCTB-CQSZACIVSA-N 1 2 397.431 3.425 20 5 GGBDLO CO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000055409374 1406952592 /nfs/dbraw/zinc/95/25/92/1406952592.db2.gz IQUYVGZJORVNIX-CQSZACIVSA-N 1 2 389.477 3.002 20 5 GGBDLO CNC(=O)c1ccc(C[N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cc1 ZINC000007317443 1398653621 /nfs/dbraw/zinc/65/36/21/1398653621.db2.gz CAVSYHWNRGXREX-UHFFFAOYSA-N 1 2 386.433 3.321 20 5 GGBDLO CNC(=O)c1ccc(C[N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cc1 ZINC000007317443 1398653630 /nfs/dbraw/zinc/65/36/30/1398653630.db2.gz CAVSYHWNRGXREX-UHFFFAOYSA-N 1 2 386.433 3.321 20 5 GGBDLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007906105 1398770114 /nfs/dbraw/zinc/77/01/14/1398770114.db2.gz BRWCADYBRJSXJV-NRFANRHFSA-N 1 2 396.491 3.327 20 5 GGBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000007977062 1398784796 /nfs/dbraw/zinc/78/47/96/1398784796.db2.gz NTLGQYDIVOVUSA-UHFFFAOYSA-N 1 2 395.362 3.275 20 5 GGBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000007977062 1398784800 /nfs/dbraw/zinc/78/48/00/1398784800.db2.gz NTLGQYDIVOVUSA-UHFFFAOYSA-N 1 2 395.362 3.275 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008319677 1398823409 /nfs/dbraw/zinc/82/34/09/1398823409.db2.gz WWFQMTAHQOIXED-SFHVURJKSA-N 1 2 397.431 3.450 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008319677 1398823411 /nfs/dbraw/zinc/82/34/11/1398823411.db2.gz WWFQMTAHQOIXED-SFHVURJKSA-N 1 2 397.431 3.450 20 5 GGBDLO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000010226288 1398881373 /nfs/dbraw/zinc/88/13/73/1398881373.db2.gz OUIRLWOPYOCEGP-SFHVURJKSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000010226288 1398881374 /nfs/dbraw/zinc/88/13/74/1398881374.db2.gz OUIRLWOPYOCEGP-SFHVURJKSA-N 1 2 385.420 3.388 20 5 GGBDLO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000015106053 1399140382 /nfs/dbraw/zinc/14/03/82/1399140382.db2.gz HNFKUAQRYFWROI-UHFFFAOYSA-N 1 2 394.884 3.066 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](C)CCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000015103343 1399140457 /nfs/dbraw/zinc/14/04/57/1399140457.db2.gz MJPNYFGZWJHMOF-UHFFFAOYSA-N 1 2 393.827 3.206 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](C)CCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000015103343 1399140461 /nfs/dbraw/zinc/14/04/61/1399140461.db2.gz MJPNYFGZWJHMOF-UHFFFAOYSA-N 1 2 393.827 3.206 20 5 GGBDLO O=C(c1ccccc1)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000015130025 1399140921 /nfs/dbraw/zinc/14/09/21/1399140921.db2.gz AANIMPXWXLKWFP-LJQANCHMSA-N 1 2 395.459 3.127 20 5 GGBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000016064828 1399206149 /nfs/dbraw/zinc/20/61/49/1399206149.db2.gz FKCOHJSXLKHZNW-UHFFFAOYSA-N 1 2 389.839 3.085 20 5 GGBDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000016103094 1399210005 /nfs/dbraw/zinc/21/00/05/1399210005.db2.gz FPAYTXLRKVIWMF-UHFFFAOYSA-N 1 2 383.452 3.087 20 5 GGBDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000016585130 1399250994 /nfs/dbraw/zinc/25/09/94/1399250994.db2.gz WGZMVDGSHHSJKX-UHFFFAOYSA-N 1 2 377.828 3.335 20 5 GGBDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000016585130 1399250998 /nfs/dbraw/zinc/25/09/98/1399250998.db2.gz WGZMVDGSHHSJKX-UHFFFAOYSA-N 1 2 377.828 3.335 20 5 GGBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000017742263 1399289952 /nfs/dbraw/zinc/28/99/52/1399289952.db2.gz UGXCJEUYOFJNEM-UHFFFAOYSA-N 1 2 384.436 3.262 20 5 GGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000018122218 1399302234 /nfs/dbraw/zinc/30/22/34/1399302234.db2.gz LHOKSBYFQFRVQE-UHFFFAOYSA-N 1 2 382.464 3.258 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000020544221 1399348840 /nfs/dbraw/zinc/34/88/40/1399348840.db2.gz FSJGOYDANWLKCH-UHFFFAOYSA-N 1 2 376.438 3.015 20 5 GGBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022662585 1399487703 /nfs/dbraw/zinc/48/77/03/1399487703.db2.gz MWWKCBNVADKLAQ-UHFFFAOYSA-N 1 2 386.477 3.189 20 5 GGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023486817 1399563991 /nfs/dbraw/zinc/56/39/91/1399563991.db2.gz CVKZJPSTFCSWKL-AHKGRUIUSA-N 1 2 394.475 3.253 20 5 GGBDLO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023698003 1399580505 /nfs/dbraw/zinc/58/05/05/1399580505.db2.gz GBMSRDWCKDDREZ-UHFFFAOYSA-N 1 2 397.431 3.217 20 5 GGBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024250857 1399615421 /nfs/dbraw/zinc/61/54/21/1399615421.db2.gz MLPRCGWTGNNGRU-JTQLQIEISA-N 1 2 393.346 3.233 20 5 GGBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024250857 1399615429 /nfs/dbraw/zinc/61/54/29/1399615429.db2.gz MLPRCGWTGNNGRU-JTQLQIEISA-N 1 2 393.346 3.233 20 5 GGBDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000024821526 1399676270 /nfs/dbraw/zinc/67/62/70/1399676270.db2.gz FXMLWQAIFUSOFE-MRXNPFEDSA-N 1 2 399.403 3.108 20 5 GGBDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000024821526 1399676279 /nfs/dbraw/zinc/67/62/79/1399676279.db2.gz FXMLWQAIFUSOFE-MRXNPFEDSA-N 1 2 399.403 3.108 20 5 GGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024821988 1399677012 /nfs/dbraw/zinc/67/70/12/1399677012.db2.gz UFGLLYYHVAFNLF-GFCCVEGCSA-N 1 2 375.406 3.161 20 5 GGBDLO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024821988 1399677026 /nfs/dbraw/zinc/67/70/26/1399677026.db2.gz UFGLLYYHVAFNLF-GFCCVEGCSA-N 1 2 375.406 3.161 20 5 GGBDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000025414755 1399806893 /nfs/dbraw/zinc/80/68/93/1399806893.db2.gz CJOJOURTBBGCKJ-GOSISDBHSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000025414755 1399806895 /nfs/dbraw/zinc/80/68/95/1399806895.db2.gz CJOJOURTBBGCKJ-GOSISDBHSA-N 1 2 385.420 3.388 20 5 GGBDLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556391 1399819354 /nfs/dbraw/zinc/81/93/54/1399819354.db2.gz IBRLFWFUZHCIBC-MSOLQXFVSA-N 1 2 396.491 3.291 20 5 GGBDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556471 1399819591 /nfs/dbraw/zinc/81/95/91/1399819591.db2.gz NRJOAISULHWGSF-GOSISDBHSA-N 1 2 396.491 3.072 20 5 GGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000055696689 1407058855 /nfs/dbraw/zinc/05/88/55/1407058855.db2.gz JHYXLAFGIMNJDJ-UHFFFAOYSA-N 1 2 391.431 3.311 20 5 GGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(CCOc3ccccc3Cl)CC2)cc1 ZINC000025933322 1399847491 /nfs/dbraw/zinc/84/74/91/1399847491.db2.gz CVQXWLGOXYHNAT-UHFFFAOYSA-N 1 2 375.856 3.445 20 5 GGBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)cc1 ZINC000025933322 1399847494 /nfs/dbraw/zinc/84/74/94/1399847494.db2.gz CVQXWLGOXYHNAT-UHFFFAOYSA-N 1 2 375.856 3.445 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000026000295 1399852692 /nfs/dbraw/zinc/85/26/92/1399852692.db2.gz IHXMJGOWCZSGGM-UHFFFAOYSA-N 1 2 381.436 3.094 20 5 GGBDLO CC(C)C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+]1CCOCC1 ZINC000026063965 1399857444 /nfs/dbraw/zinc/85/74/44/1399857444.db2.gz HUKOIZZOTAJRBN-MRXNPFEDSA-N 1 2 391.493 3.286 20 5 GGBDLO CC(C)C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+]1CCOCC1 ZINC000026063962 1399857521 /nfs/dbraw/zinc/85/75/21/1399857521.db2.gz HUKOIZZOTAJRBN-INIZCTEOSA-N 1 2 391.493 3.286 20 5 GGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000026208491 1399869498 /nfs/dbraw/zinc/86/94/98/1399869498.db2.gz DBWQDAYLWQXRFD-UHFFFAOYSA-N 1 2 382.376 3.063 20 5 GGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000026208491 1399869503 /nfs/dbraw/zinc/86/95/03/1399869503.db2.gz DBWQDAYLWQXRFD-UHFFFAOYSA-N 1 2 382.376 3.063 20 5 GGBDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000026207993 1399869596 /nfs/dbraw/zinc/86/95/96/1399869596.db2.gz VIBXLXWWHHOGLX-UHFFFAOYSA-N 1 2 391.811 3.105 20 5 GGBDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000026207993 1399869598 /nfs/dbraw/zinc/86/95/98/1399869598.db2.gz VIBXLXWWHHOGLX-UHFFFAOYSA-N 1 2 391.811 3.105 20 5 GGBDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000026207936 1399869673 /nfs/dbraw/zinc/86/96/73/1399869673.db2.gz MPLUXJTVSLCPOM-UHFFFAOYSA-N 1 2 391.811 3.105 20 5 GGBDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000026207936 1399869674 /nfs/dbraw/zinc/86/96/74/1399869674.db2.gz MPLUXJTVSLCPOM-UHFFFAOYSA-N 1 2 391.811 3.105 20 5 GGBDLO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000026301458 1399877013 /nfs/dbraw/zinc/87/70/13/1399877013.db2.gz RIJYYJMPQRDMMA-CQSZACIVSA-N 1 2 375.450 3.276 20 5 GGBDLO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000026301458 1399877014 /nfs/dbraw/zinc/87/70/14/1399877014.db2.gz RIJYYJMPQRDMMA-CQSZACIVSA-N 1 2 375.450 3.276 20 5 GGBDLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000026620510 1399909267 /nfs/dbraw/zinc/90/92/67/1399909267.db2.gz AMBBVYHFHUPRLT-UHFFFAOYSA-N 1 2 397.309 3.491 20 5 GGBDLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000026620510 1399909274 /nfs/dbraw/zinc/90/92/74/1399909274.db2.gz AMBBVYHFHUPRLT-UHFFFAOYSA-N 1 2 397.309 3.491 20 5 GGBDLO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(Cl)s1 ZINC000026854387 1399941266 /nfs/dbraw/zinc/94/12/66/1399941266.db2.gz JOLQGNBYOQSVMX-UHFFFAOYSA-N 1 2 397.840 3.499 20 5 GGBDLO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(Cl)s1 ZINC000026854387 1399941274 /nfs/dbraw/zinc/94/12/74/1399941274.db2.gz JOLQGNBYOQSVMX-UHFFFAOYSA-N 1 2 397.840 3.499 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000027237026 1400008456 /nfs/dbraw/zinc/00/84/56/1400008456.db2.gz VEODLFZUPDYZMJ-UHFFFAOYSA-N 1 2 383.448 3.260 20 5 GGBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028276030 1400145759 /nfs/dbraw/zinc/14/57/59/1400145759.db2.gz DWJSVYKAWJERNG-GFCCVEGCSA-N 1 2 375.375 3.455 20 5 GGBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028276030 1400145765 /nfs/dbraw/zinc/14/57/65/1400145765.db2.gz DWJSVYKAWJERNG-GFCCVEGCSA-N 1 2 375.375 3.455 20 5 GGBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000028682545 1400183863 /nfs/dbraw/zinc/18/38/63/1400183863.db2.gz HMUNFOWYGPLFGP-ZDUSSCGKSA-N 1 2 390.465 3.301 20 5 GGBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000028682545 1400183872 /nfs/dbraw/zinc/18/38/72/1400183872.db2.gz HMUNFOWYGPLFGP-ZDUSSCGKSA-N 1 2 390.465 3.301 20 5 GGBDLO CN(C(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000029114588 1400243075 /nfs/dbraw/zinc/24/30/75/1400243075.db2.gz VXOKPHQTIQVSMK-QGZVFWFLSA-N 1 2 389.477 3.300 20 5 GGBDLO CN(C(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000029114588 1400243083 /nfs/dbraw/zinc/24/30/83/1400243083.db2.gz VXOKPHQTIQVSMK-QGZVFWFLSA-N 1 2 389.477 3.300 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029658613 1400331923 /nfs/dbraw/zinc/33/19/23/1400331923.db2.gz HPAJVUNJGVNZRE-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029658613 1400331932 /nfs/dbraw/zinc/33/19/32/1400331932.db2.gz HPAJVUNJGVNZRE-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029668040 1400333418 /nfs/dbraw/zinc/33/34/18/1400333418.db2.gz LYAYKXXMKITKGP-UHFFFAOYSA-N 1 2 391.431 3.344 20 5 GGBDLO CCCNC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000055834031 1407098075 /nfs/dbraw/zinc/09/80/75/1407098075.db2.gz HBWOPSVJLVGXHO-UHFFFAOYSA-N 1 2 393.403 3.173 20 5 GGBDLO Cc1cccc(C(=O)N2CCC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000029899677 1400374286 /nfs/dbraw/zinc/37/42/86/1400374286.db2.gz VEKGYXCBRYFWKZ-UHFFFAOYSA-N 1 2 393.447 3.059 20 5 GGBDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000029899677 1400374289 /nfs/dbraw/zinc/37/42/89/1400374289.db2.gz VEKGYXCBRYFWKZ-UHFFFAOYSA-N 1 2 393.447 3.059 20 5 GGBDLO CNC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Cl ZINC000055904116 1407127350 /nfs/dbraw/zinc/12/73/50/1407127350.db2.gz PHJVFTOHPGGRGM-UHFFFAOYSA-N 1 2 399.794 3.046 20 5 GGBDLO Cc1ccc(C(=O)N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000055928441 1407135392 /nfs/dbraw/zinc/13/53/92/1407135392.db2.gz XVBUZSRWHJAXAO-UHFFFAOYSA-N 1 2 389.477 3.192 20 5 GGBDLO C[C@@H](Nc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000055996507 1407165586 /nfs/dbraw/zinc/16/55/86/1407165586.db2.gz OJWFAVXONGJXQQ-LSDHHAIUSA-N 1 2 394.435 3.178 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043122053 1403712864 /nfs/dbraw/zinc/71/28/64/1403712864.db2.gz ORJIZLOZZFFPFL-UHFFFAOYSA-N 1 2 376.438 3.015 20 5 GGBDLO Cc1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000043148360 1403719932 /nfs/dbraw/zinc/71/99/32/1403719932.db2.gz RUXCLGNTVVAWNR-UHFFFAOYSA-N 1 2 384.436 3.132 20 5 GGBDLO CCOc1cc(NC(=O)NCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1OCC ZINC000043838830 1403827237 /nfs/dbraw/zinc/82/72/37/1403827237.db2.gz BIICUUUIUAPGIK-UHFFFAOYSA-N 1 2 389.412 3.021 20 5 GGBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000045603536 1404157820 /nfs/dbraw/zinc/15/78/20/1404157820.db2.gz LTKFCWOOGRCFFY-UHFFFAOYSA-N 1 2 398.419 3.078 20 5 GGBDLO COc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046343715 1404373146 /nfs/dbraw/zinc/37/31/46/1404373146.db2.gz RYTPLTDHZJAQMD-HUUCEWRRSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046400153 1404398940 /nfs/dbraw/zinc/39/89/40/1404398940.db2.gz UDHRWXAWNCPRAB-GFCCVEGCSA-N 1 2 384.367 3.419 20 5 GGBDLO O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046747276 1404575944 /nfs/dbraw/zinc/57/59/44/1404575944.db2.gz MCESJINYWSJMNC-UHFFFAOYSA-N 1 2 392.419 3.418 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000047031281 1404680805 /nfs/dbraw/zinc/68/08/05/1404680805.db2.gz BSFGYOGIIYZRAS-INIZCTEOSA-N 1 2 393.465 3.002 20 5 GGBDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])o1 ZINC000049959319 1405436674 /nfs/dbraw/zinc/43/66/74/1405436674.db2.gz WIVUBEWSDQUTMH-UHFFFAOYSA-N 1 2 384.417 3.455 20 5 GGBDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])o1 ZINC000049959319 1405436679 /nfs/dbraw/zinc/43/66/79/1405436679.db2.gz WIVUBEWSDQUTMH-UHFFFAOYSA-N 1 2 384.417 3.455 20 5 GGBDLO NC(=O)c1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000050231655 1405525148 /nfs/dbraw/zinc/52/51/48/1405525148.db2.gz YAMPTZSAYTVPEY-SFHVURJKSA-N 1 2 387.411 3.014 20 5 GGBDLO NC(=O)c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000050231655 1405525159 /nfs/dbraw/zinc/52/51/59/1405525159.db2.gz YAMPTZSAYTVPEY-SFHVURJKSA-N 1 2 387.411 3.014 20 5 GGBDLO Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000050896508 1405677236 /nfs/dbraw/zinc/67/72/36/1405677236.db2.gz XWBYVBFJCORMRO-UHFFFAOYSA-N 1 2 389.375 3.126 20 5 GGBDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1C ZINC000051423906 1405809825 /nfs/dbraw/zinc/80/98/25/1405809825.db2.gz ZRIVJORHBWHUQI-UHFFFAOYSA-N 1 2 385.420 3.135 20 5 GGBDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1C ZINC000051423906 1405809829 /nfs/dbraw/zinc/80/98/29/1405809829.db2.gz ZRIVJORHBWHUQI-UHFFFAOYSA-N 1 2 385.420 3.135 20 5 GGBDLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1C ZINC000051450494 1405812841 /nfs/dbraw/zinc/81/28/41/1405812841.db2.gz FEKHYVLAYACOTL-UHFFFAOYSA-N 1 2 396.491 3.276 20 5 GGBDLO O=C(NC1CC1)c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000051856272 1405876381 /nfs/dbraw/zinc/87/63/81/1405876381.db2.gz AGINYWWVZGQPFF-UHFFFAOYSA-N 1 2 391.431 3.344 20 5 GGBDLO O=C(Oc1cccc(N2CCCC2=O)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000052397615 1406039342 /nfs/dbraw/zinc/03/93/42/1406039342.db2.gz JQENECPGSBIHEX-UHFFFAOYSA-N 1 2 392.371 3.127 20 5 GGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052865542 1406205155 /nfs/dbraw/zinc/20/51/55/1406205155.db2.gz YSASGEDHBQZHBT-GOSISDBHSA-N 1 2 399.447 3.223 20 5 GGBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052865542 1406205159 /nfs/dbraw/zinc/20/51/59/1406205159.db2.gz YSASGEDHBQZHBT-GOSISDBHSA-N 1 2 399.447 3.223 20 5 GGBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056872625 1407461532 /nfs/dbraw/zinc/46/15/32/1407461532.db2.gz NYRSASGVXRSOOA-UHFFFAOYSA-N 1 2 375.388 3.251 20 5 GGBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)c2)CC1 ZINC000057055003 1407510605 /nfs/dbraw/zinc/51/06/05/1407510605.db2.gz WVVOABFAZIQUPO-UHFFFAOYSA-N 1 2 393.447 3.076 20 5 GGBDLO O=[N+]([O-])c1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(C(F)(F)F)c1 ZINC000057138421 1407533446 /nfs/dbraw/zinc/53/34/46/1407533446.db2.gz WKKAVXQOVLFUAO-OAHLLOKOSA-N 1 2 391.415 3.233 20 5 GGBDLO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000057708468 1407694383 /nfs/dbraw/zinc/69/43/83/1407694383.db2.gz XSNVYRCWOXDGOC-KRWDZBQOSA-N 1 2 397.884 3.138 20 5 GGBDLO CCOc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000057814552 1407725565 /nfs/dbraw/zinc/72/55/65/1407725565.db2.gz IXFKOEBUAZKRAY-GOSISDBHSA-N 1 2 399.447 3.131 20 5 GGBDLO CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000057814552 1407725579 /nfs/dbraw/zinc/72/55/79/1407725579.db2.gz IXFKOEBUAZKRAY-GOSISDBHSA-N 1 2 399.447 3.131 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000058414565 1407824214 /nfs/dbraw/zinc/82/42/14/1407824214.db2.gz HYSOBNPJNLRCPN-UHFFFAOYSA-N 1 2 379.420 3.391 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000058506812 1407838191 /nfs/dbraw/zinc/83/81/91/1407838191.db2.gz KRSLRBNLTCEOGA-UHFFFAOYSA-N 1 2 393.465 3.053 20 5 GGBDLO O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000059888999 1407928250 /nfs/dbraw/zinc/92/82/50/1407928250.db2.gz QPCIMVDOGCAPBB-UHFFFAOYSA-N 1 2 380.389 3.484 20 5 GGBDLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000061019738 1408066544 /nfs/dbraw/zinc/06/65/44/1408066544.db2.gz CDXAOEXFMXGBRW-QZTJIDSGSA-N 1 2 396.491 3.291 20 5 GGBDLO C[C@@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000176395731 1428298949 /nfs/dbraw/zinc/29/89/49/1428298949.db2.gz WJGUHTBDGSFYCL-INIZCTEOSA-N 1 2 385.468 3.094 20 5 GGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000062514486 1408272742 /nfs/dbraw/zinc/27/27/42/1408272742.db2.gz UHYCOBGLEWPWGJ-YWZLYKJASA-N 1 2 392.415 3.383 20 5 GGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000063109521 1408305151 /nfs/dbraw/zinc/30/51/51/1408305151.db2.gz APILWNAZUDWQMZ-UHFFFAOYSA-N 1 2 379.351 3.331 20 5 GGBDLO COc1ccc(C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000063632590 1408384018 /nfs/dbraw/zinc/38/40/18/1408384018.db2.gz GZKZIEYKXARYIF-UHFFFAOYSA-N 1 2 394.431 3.497 20 5 GGBDLO CC[NH+](CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000064114305 1408486326 /nfs/dbraw/zinc/48/63/26/1408486326.db2.gz YWYYSYAZTBXFKJ-INIZCTEOSA-N 1 2 381.454 3.086 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065956960 1408762641 /nfs/dbraw/zinc/76/26/41/1408762641.db2.gz SHXKLLYYOYCCEH-UHFFFAOYSA-N 1 2 382.464 3.443 20 5 GGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065956962 1408762681 /nfs/dbraw/zinc/76/26/81/1408762681.db2.gz VQQMRUBKBITFKY-UHFFFAOYSA-N 1 2 382.464 3.443 20 5 GGBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccccc1-n1cc[nH+]c1 ZINC000066050933 1408779330 /nfs/dbraw/zinc/77/93/30/1408779330.db2.gz CZZHDOMPMJAWLL-UHFFFAOYSA-N 1 2 375.388 3.052 20 5 GGBDLO O=C(NC1CC1)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000066372313 1408824899 /nfs/dbraw/zinc/82/48/99/1408824899.db2.gz DXFNQQBCMUUKNK-UHFFFAOYSA-N 1 2 377.404 3.285 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2F)C1 ZINC000066690253 1408886868 /nfs/dbraw/zinc/88/68/68/1408886868.db2.gz IBDWUHUVOUQGJU-IBGZPJMESA-N 1 2 396.378 3.133 20 5 GGBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000066847417 1408929172 /nfs/dbraw/zinc/92/91/72/1408929172.db2.gz VBLQGPMRPVHXEU-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000066847417 1408929182 /nfs/dbraw/zinc/92/91/82/1408929182.db2.gz VBLQGPMRPVHXEU-IBGZPJMESA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066849353 1408930747 /nfs/dbraw/zinc/93/07/47/1408930747.db2.gz RGCYGYYGHDANES-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066849353 1408930754 /nfs/dbraw/zinc/93/07/54/1408930754.db2.gz RGCYGYYGHDANES-LJQANCHMSA-N 1 2 387.411 3.444 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c1C ZINC000176571107 1428366992 /nfs/dbraw/zinc/36/69/92/1428366992.db2.gz BXTGGSMKRCVRON-UHFFFAOYSA-N 1 2 386.452 3.390 20 5 GGBDLO Cc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000067523268 1409143136 /nfs/dbraw/zinc/14/31/36/1409143136.db2.gz GCJCIYWVMYVLJY-UHFFFAOYSA-N 1 2 399.338 3.066 20 5 GGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000067754180 1409222381 /nfs/dbraw/zinc/22/23/81/1409222381.db2.gz ICNQMZRPDSBXSY-UHFFFAOYSA-N 1 2 382.376 3.131 20 5 GGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000067827146 1409239407 /nfs/dbraw/zinc/23/94/07/1409239407.db2.gz UHYCOBGLEWPWGJ-FOIQADDNSA-N 1 2 392.415 3.383 20 5 GGBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC000068051406 1409287617 /nfs/dbraw/zinc/28/76/17/1409287617.db2.gz NENRMWUNLHAOLS-MRXNPFEDSA-N 1 2 396.407 3.168 20 5 GGBDLO CCNc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000068197623 1409328349 /nfs/dbraw/zinc/32/83/49/1409328349.db2.gz BWSMXLSWZAYOTQ-UHFFFAOYSA-N 1 2 384.436 3.111 20 5 GGBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068230141 1409335679 /nfs/dbraw/zinc/33/56/79/1409335679.db2.gz QIZASPBCVSZEDP-UHFFFAOYSA-N 1 2 398.463 3.258 20 5 GGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068245075 1409339036 /nfs/dbraw/zinc/33/90/36/1409339036.db2.gz OQTPHXVTWYFNBO-ZDUSSCGKSA-N 1 2 389.839 3.148 20 5 GGBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCCNc1cccc[nH+]1 ZINC000068422324 1409397516 /nfs/dbraw/zinc/39/75/16/1409397516.db2.gz XDKKTDNFNJHAFR-ZDUSSCGKSA-N 1 2 392.843 3.419 20 5 GGBDLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000069087132 1409561190 /nfs/dbraw/zinc/56/11/90/1409561190.db2.gz PNDVROCJNZBPHC-KRWDZBQOSA-N 1 2 385.420 3.388 20 5 GGBDLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000069087132 1409561196 /nfs/dbraw/zinc/56/11/96/1409561196.db2.gz PNDVROCJNZBPHC-KRWDZBQOSA-N 1 2 385.420 3.388 20 5 GGBDLO Cc1ccc([C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000071968863 1409834375 /nfs/dbraw/zinc/83/43/75/1409834375.db2.gz PNBUKBSKRIWQCF-QGZVFWFLSA-N 1 2 381.436 3.036 20 5 GGBDLO O=C(C[NH+]1CCC(OCc2ccccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000091862487 1410087700 /nfs/dbraw/zinc/08/77/00/1410087700.db2.gz LRGQCDWDZTVJDY-UHFFFAOYSA-N 1 2 387.411 3.354 20 5 GGBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093277368 1410228877 /nfs/dbraw/zinc/22/88/77/1410228877.db2.gz GPYCWPSOZPNOAJ-KRWDZBQOSA-N 1 2 386.477 3.305 20 5 GGBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093277368 1410228882 /nfs/dbraw/zinc/22/88/82/1410228882.db2.gz GPYCWPSOZPNOAJ-KRWDZBQOSA-N 1 2 386.477 3.305 20 5 GGBDLO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H](C)CS(C)(=O)=O ZINC000093390840 1410243112 /nfs/dbraw/zinc/24/31/12/1410243112.db2.gz ZFTOSODDYXYFQB-CYBMUJFWSA-N 1 2 396.465 3.118 20 5 GGBDLO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H](C)CS(C)(=O)=O ZINC000093390840 1410243116 /nfs/dbraw/zinc/24/31/16/1410243116.db2.gz ZFTOSODDYXYFQB-CYBMUJFWSA-N 1 2 396.465 3.118 20 5 GGBDLO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](C)CS(C)(=O)=O ZINC000093390839 1410243147 /nfs/dbraw/zinc/24/31/47/1410243147.db2.gz ZFTOSODDYXYFQB-ZDUSSCGKSA-N 1 2 396.465 3.118 20 5 GGBDLO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](C)CS(C)(=O)=O ZINC000093390839 1410243150 /nfs/dbraw/zinc/24/31/50/1410243150.db2.gz ZFTOSODDYXYFQB-ZDUSSCGKSA-N 1 2 396.465 3.118 20 5 GGBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093413636 1410243764 /nfs/dbraw/zinc/24/37/64/1410243764.db2.gz LNEHULJRXVSISN-CQSZACIVSA-N 1 2 392.406 3.470 20 5 GGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093413635 1410243950 /nfs/dbraw/zinc/24/39/50/1410243950.db2.gz LNEHULJRXVSISN-AWEZNQCLSA-N 1 2 392.406 3.470 20 5 GGBDLO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000093420986 1410246091 /nfs/dbraw/zinc/24/60/91/1410246091.db2.gz RESFCJNUBBLWMA-CHWSQXEVSA-N 1 2 396.465 3.117 20 5 GGBDLO COc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000093420986 1410246092 /nfs/dbraw/zinc/24/60/92/1410246092.db2.gz RESFCJNUBBLWMA-CHWSQXEVSA-N 1 2 396.465 3.117 20 5 GGBDLO Cc1nsc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)n1 ZINC000093663471 1410258048 /nfs/dbraw/zinc/25/80/48/1410258048.db2.gz MAINXYAXCCJKJN-UHFFFAOYSA-N 1 2 385.449 3.337 20 5 GGBDLO COc1cc(N[C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000093763911 1410264444 /nfs/dbraw/zinc/26/44/44/1410264444.db2.gz ZKYKTGAQAPPORV-OAHLLOKOSA-N 1 2 387.436 3.394 20 5 GGBDLO COc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000093763911 1410264448 /nfs/dbraw/zinc/26/44/48/1410264448.db2.gz ZKYKTGAQAPPORV-OAHLLOKOSA-N 1 2 387.436 3.394 20 5 GGBDLO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000095452658 1410311805 /nfs/dbraw/zinc/31/18/05/1410311805.db2.gz GZEZZEJSZZXSON-DNVCBOLYSA-N 1 2 397.431 3.355 20 5 GGBDLO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000095452658 1410311810 /nfs/dbraw/zinc/31/18/10/1410311810.db2.gz GZEZZEJSZZXSON-DNVCBOLYSA-N 1 2 397.431 3.355 20 5 GGBDLO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000097573661 1410379843 /nfs/dbraw/zinc/37/98/43/1410379843.db2.gz RWUGUHABLCARDH-UHFFFAOYSA-N 1 2 399.794 3.007 20 5 GGBDLO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101555513 1410462895 /nfs/dbraw/zinc/46/28/95/1410462895.db2.gz UMLMJZHRIMIYOL-UHFFFAOYSA-N 1 2 378.432 3.077 20 5 GGBDLO 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Cc1cc(C(=O)NC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000103481793 1410862433 /nfs/dbraw/zinc/86/24/33/1410862433.db2.gz ZDXZROQORWFYPX-UHFFFAOYSA-N 1 2 375.400 3.338 20 5 GGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000104945901 1411003302 /nfs/dbraw/zinc/00/33/02/1411003302.db2.gz QPWFVZATVIYENB-UHFFFAOYSA-N 1 2 375.391 3.452 20 5 GGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000104945901 1411003310 /nfs/dbraw/zinc/00/33/10/1411003310.db2.gz QPWFVZATVIYENB-UHFFFAOYSA-N 1 2 375.391 3.452 20 5 GGBDLO Cc1cnn(C[C@@H]2C[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)c1 ZINC000106198826 1411179683 /nfs/dbraw/zinc/17/96/83/1411179683.db2.gz APYSHYXBFSFPFL-IBGZPJMESA-N 1 2 389.455 3.352 20 5 GGBDLO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)c1 ZINC000106198826 1411179691 /nfs/dbraw/zinc/17/96/91/1411179691.db2.gz APYSHYXBFSFPFL-IBGZPJMESA-N 1 2 389.455 3.352 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000176995267 1428545647 /nfs/dbraw/zinc/54/56/47/1428545647.db2.gz KJMWQARNAFICKC-UHFFFAOYSA-N 1 2 396.447 3.453 20 5 GGBDLO CCN(CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1C ZINC000107635099 1411394430 /nfs/dbraw/zinc/39/44/30/1411394430.db2.gz JDRRWBYVZCSERX-UHFFFAOYSA-N 1 2 393.447 3.345 20 5 GGBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000108105023 1411438651 /nfs/dbraw/zinc/43/86/51/1411438651.db2.gz BUCUKJHWAAJSTD-UHFFFAOYSA-N 1 2 375.856 3.445 20 5 GGBDLO O=C(C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000108386966 1411485648 /nfs/dbraw/zinc/48/56/48/1411485648.db2.gz KDKLQIYKWVCYCP-FQEVSTJZSA-N 1 2 387.411 3.118 20 5 GGBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000108699166 1411577809 /nfs/dbraw/zinc/57/78/09/1411577809.db2.gz UINQQMGAUBYRRB-UHFFFAOYSA-N 1 2 379.376 3.072 20 5 GGBDLO O=C(NC[C@@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000108740077 1411593640 /nfs/dbraw/zinc/59/36/40/1411593640.db2.gz YNXJFUHKSIOJOA-HNNXBMFYSA-N 1 2 378.388 3.077 20 5 GGBDLO O=C(Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1)Nc1ccccc1 ZINC000109547146 1411783118 /nfs/dbraw/zinc/78/31/18/1411783118.db2.gz BLPZARNPXMAABL-UHFFFAOYSA-N 1 2 390.359 3.012 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109582460 1411794463 /nfs/dbraw/zinc/79/44/63/1411794463.db2.gz LNZGLQPMZSHNMZ-UHFFFAOYSA-N 1 2 380.404 3.452 20 5 GGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000111730020 1412020059 /nfs/dbraw/zinc/02/00/59/1412020059.db2.gz OACOGIRRPGEELT-UHFFFAOYSA-N 1 2 381.339 3.262 20 5 GGBDLO CCOc1ccc2c(c1)C[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000112580684 1412172195 /nfs/dbraw/zinc/17/21/95/1412172195.db2.gz FYORHZMBVYHXCT-HXUWFJFHSA-N 1 2 381.432 3.157 20 5 GGBDLO CCOc1ccc2c(c1)C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000112580684 1412172201 /nfs/dbraw/zinc/17/22/01/1412172201.db2.gz FYORHZMBVYHXCT-HXUWFJFHSA-N 1 2 381.432 3.157 20 5 GGBDLO Cc1ccc(OC2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000116882866 1412948580 /nfs/dbraw/zinc/94/85/80/1412948580.db2.gz XBQSNKHHQLUJRN-UHFFFAOYSA-N 1 2 395.459 3.336 20 5 GGBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C)(O)CC2)c([N+](=O)[O-])c1 ZINC000177338918 1428698142 /nfs/dbraw/zinc/69/81/42/1428698142.db2.gz UMJUUMFHZODYKI-IBGZPJMESA-N 1 2 383.448 3.430 20 5 GGBDLO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000117720227 1413071802 /nfs/dbraw/zinc/07/18/02/1413071802.db2.gz MINAGZMOTDDZPF-CQSZACIVSA-N 1 2 396.403 3.411 20 5 GGBDLO CN(C)c1cccc([C@H]2CCC[N@@H+]2CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000117864866 1413084988 /nfs/dbraw/zinc/08/49/88/1413084988.db2.gz DNKDSNSXYIEZJV-LJQANCHMSA-N 1 2 394.431 3.051 20 5 GGBDLO CN(C)c1cccc([C@H]2CCC[N@H+]2CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000117864866 1413085000 /nfs/dbraw/zinc/08/50/00/1413085000.db2.gz DNKDSNSXYIEZJV-LJQANCHMSA-N 1 2 394.431 3.051 20 5 GGBDLO Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000118161364 1413117603 /nfs/dbraw/zinc/11/76/03/1413117603.db2.gz YPMSUIXFPIJCBD-UHFFFAOYSA-N 1 2 376.369 3.029 20 5 GGBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000118724553 1413210567 /nfs/dbraw/zinc/21/05/67/1413210567.db2.gz AJGIRYIVUBXDSV-UHFFFAOYSA-N 1 2 398.341 3.163 20 5 GGBDLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866389 1413252671 /nfs/dbraw/zinc/25/26/71/1413252671.db2.gz LYROTPTWBFINAL-ZDUSSCGKSA-N 1 2 389.843 3.077 20 5 GGBDLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866389 1413252684 /nfs/dbraw/zinc/25/26/84/1413252684.db2.gz LYROTPTWBFINAL-ZDUSSCGKSA-N 1 2 389.843 3.077 20 5 GGBDLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866724 1413253598 /nfs/dbraw/zinc/25/35/98/1413253598.db2.gz SJCRRRMRUNEEBI-NEPJUHHUSA-N 1 2 386.437 3.349 20 5 GGBDLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866724 1413253608 /nfs/dbraw/zinc/25/36/08/1413253608.db2.gz SJCRRRMRUNEEBI-NEPJUHHUSA-N 1 2 386.437 3.349 20 5 GGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000119179148 1413366778 /nfs/dbraw/zinc/36/67/78/1413366778.db2.gz VCFNPJNCCFZCLY-LBPRGKRZSA-N 1 2 396.369 3.442 20 5 GGBDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000177411944 1428724916 /nfs/dbraw/zinc/72/49/16/1428724916.db2.gz LTKWKJODXAMWTO-FZKQIMNGSA-N 1 2 396.403 3.285 20 5 GGBDLO CCNC(=O)C[N@H+](CC)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000119327704 1413413146 /nfs/dbraw/zinc/41/31/46/1413413146.db2.gz BIQRMSXVZILMNY-UHFFFAOYSA-N 1 2 375.400 3.484 20 5 GGBDLO CCNC(=O)C[N@@H+](CC)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000119327704 1413413148 /nfs/dbraw/zinc/41/31/48/1413413148.db2.gz BIQRMSXVZILMNY-UHFFFAOYSA-N 1 2 375.400 3.484 20 5 GGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000119381830 1413430153 /nfs/dbraw/zinc/43/01/53/1413430153.db2.gz SEOKQPJSYUTPPE-INIZCTEOSA-N 1 2 397.479 3.023 20 5 GGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119383847 1413430710 /nfs/dbraw/zinc/43/07/10/1413430710.db2.gz NVYKTTHTDPNSBG-OAHLLOKOSA-N 1 2 388.493 3.287 20 5 GGBDLO C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177426246 1428731918 /nfs/dbraw/zinc/73/19/18/1428731918.db2.gz MMJNMNVSPKMYKH-LIRRHRJNSA-N 1 2 380.404 3.023 20 5 GGBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1N1CCCC1 ZINC000119775319 1413564688 /nfs/dbraw/zinc/56/46/88/1413564688.db2.gz JTYDBNVYPKYQMW-UHFFFAOYSA-N 1 2 394.475 3.216 20 5 GGBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1N1CCCC1 ZINC000119775319 1413564692 /nfs/dbraw/zinc/56/46/92/1413564692.db2.gz JTYDBNVYPKYQMW-UHFFFAOYSA-N 1 2 394.475 3.216 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000119813810 1413578628 /nfs/dbraw/zinc/57/86/28/1413578628.db2.gz QKYYRRJIHSQYPS-UHFFFAOYSA-N 1 2 391.374 3.154 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120365727 1413802896 /nfs/dbraw/zinc/80/28/96/1413802896.db2.gz IXQRNVGFXSOCHU-UHFFFAOYSA-N 1 2 395.463 3.464 20 5 GGBDLO Cc1c(NC(=O)CC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000120366452 1413803293 /nfs/dbraw/zinc/80/32/93/1413803293.db2.gz YXKMAFRYFTVMKU-KRWDZBQOSA-N 1 2 379.457 3.188 20 5 GGBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccccc1-n1cc[nH+]c1 ZINC000120398272 1413809731 /nfs/dbraw/zinc/80/97/31/1413809731.db2.gz YJNFNJCAGIMMHJ-UHFFFAOYSA-N 1 2 375.388 3.121 20 5 GGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120459571 1413822644 /nfs/dbraw/zinc/82/26/44/1413822644.db2.gz BRVUWLAPVJQLCF-UHFFFAOYSA-N 1 2 389.358 3.229 20 5 GGBDLO 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C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000121114123 1414012361 /nfs/dbraw/zinc/01/23/61/1414012361.db2.gz PVJQZRRMEOVSKR-CXAGYDPISA-N 1 2 375.450 3.447 20 5 GGBDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000121114123 1414012363 /nfs/dbraw/zinc/01/23/63/1414012363.db2.gz PVJQZRRMEOVSKR-CXAGYDPISA-N 1 2 375.450 3.447 20 5 GGBDLO Cc1nn(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121245143 1414056985 /nfs/dbraw/zinc/05/69/85/1414056985.db2.gz ILUBKCMMDIPINN-OAHLLOKOSA-N 1 2 389.456 3.152 20 5 GGBDLO Cc1nn(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121245143 1414056992 /nfs/dbraw/zinc/05/69/92/1414056992.db2.gz ILUBKCMMDIPINN-OAHLLOKOSA-N 1 2 389.456 3.152 20 5 GGBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000121914546 1414304915 /nfs/dbraw/zinc/30/49/15/1414304915.db2.gz GDNQFWVQQJRXFF-UHFFFAOYSA-N 1 2 383.448 3.260 20 5 GGBDLO CC[NH+](CC)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccco1 ZINC000122074668 1414355537 /nfs/dbraw/zinc/35/55/37/1414355537.db2.gz AAGINONAXYOXTJ-CQSZACIVSA-N 1 2 381.454 3.086 20 5 GGBDLO Cc1cc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)on1 ZINC000122366090 1414436464 /nfs/dbraw/zinc/43/64/64/1414436464.db2.gz GGNBNZQBPLTIGF-UHFFFAOYSA-N 1 2 382.420 3.469 20 5 GGBDLO Cn1cc(Br)cc1C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000122722642 1414548595 /nfs/dbraw/zinc/54/85/95/1414548595.db2.gz KPSBXVZSWIXFQY-UHFFFAOYSA-N 1 2 378.230 3.135 20 5 GGBDLO Cn1cc(Br)cc1C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000122722642 1414548598 /nfs/dbraw/zinc/54/85/98/1414548598.db2.gz KPSBXVZSWIXFQY-UHFFFAOYSA-N 1 2 378.230 3.135 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000177646768 1428821473 /nfs/dbraw/zinc/82/14/73/1428821473.db2.gz ZTWJJJUYNAKBOP-UHFFFAOYSA-N 1 2 399.476 3.320 20 5 GGBDLO O=C(NCCc1cc2ccccc2o1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000123642044 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OHEAILDFIOHUBV-FQEVSTJZSA-N 1 2 397.431 3.275 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000126225398 1415388213 /nfs/dbraw/zinc/38/82/13/1415388213.db2.gz XWHKJGDJXJWJLJ-UHFFFAOYSA-N 1 2 399.447 3.143 20 5 GGBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000126503205 1415472044 /nfs/dbraw/zinc/47/20/44/1415472044.db2.gz QADIGMCZANMONQ-KXBFYZLASA-N 1 2 383.452 3.115 20 5 GGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126713733 1415535661 /nfs/dbraw/zinc/53/56/61/1415535661.db2.gz AGVLGYPDDZSXFT-UHFFFAOYSA-N 1 2 386.477 3.389 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000126808093 1415566183 /nfs/dbraw/zinc/56/61/83/1415566183.db2.gz YSAPVCPHFBNLFL-CZUORRHYSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000126808093 1415566194 /nfs/dbraw/zinc/56/61/94/1415566194.db2.gz YSAPVCPHFBNLFL-CZUORRHYSA-N 1 2 395.868 3.111 20 5 GGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000127059152 1415650200 /nfs/dbraw/zinc/65/02/00/1415650200.db2.gz CRVCIQVAWBLQCN-UHFFFAOYSA-N 1 2 391.362 3.398 20 5 GGBDLO Nc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc(F)cc1[N+](=O)[O-] ZINC000127115331 1415663753 /nfs/dbraw/zinc/66/37/53/1415663753.db2.gz PWCJECJYZIUTQD-UHFFFAOYSA-N 1 2 379.417 3.011 20 5 GGBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccn2cc[nH+]c2c1 ZINC000178063601 1428964717 /nfs/dbraw/zinc/96/47/17/1428964717.db2.gz BQZHVINGYRUCLK-UHFFFAOYSA-N 1 2 382.423 3.119 20 5 GGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000127582346 1415813805 /nfs/dbraw/zinc/81/38/05/1415813805.db2.gz WIRREKUZMKLGOO-GOSISDBHSA-N 1 2 398.463 3.234 20 5 GGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000127582346 1415813809 /nfs/dbraw/zinc/81/38/09/1415813809.db2.gz WIRREKUZMKLGOO-GOSISDBHSA-N 1 2 398.463 3.234 20 5 GGBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(Cl)c(F)c1 ZINC000127668136 1415829912 /nfs/dbraw/zinc/82/99/12/1415829912.db2.gz IEXRPDAFRUMASH-UHFFFAOYSA-N 1 2 395.774 3.187 20 5 GGBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(Cl)c(F)c1 ZINC000127668136 1415829918 /nfs/dbraw/zinc/82/99/18/1415829918.db2.gz IEXRPDAFRUMASH-UHFFFAOYSA-N 1 2 395.774 3.187 20 5 GGBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000127947140 1415880718 /nfs/dbraw/zinc/88/07/18/1415880718.db2.gz WZZYTSDNMHRSIN-UHFFFAOYSA-N 1 2 390.465 3.007 20 5 GGBDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000128284383 1415954973 /nfs/dbraw/zinc/95/49/73/1415954973.db2.gz KOXUVPQSGPPYOD-UHFFFAOYSA-N 1 2 387.440 3.019 20 5 GGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128299763 1415957326 /nfs/dbraw/zinc/95/73/26/1415957326.db2.gz NZXMQECVBSJIPD-SNVBAGLBSA-N 1 2 386.330 3.095 20 5 GGBDLO 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ZINC000130401755 1416371836 /nfs/dbraw/zinc/37/18/36/1416371836.db2.gz UKRREKURPURPPL-UHFFFAOYSA-N 1 2 389.402 3.196 20 5 GGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000130621416 1416412636 /nfs/dbraw/zinc/41/26/36/1416412636.db2.gz FHSWFJYANRVONE-CQSZACIVSA-N 1 2 377.832 3.364 20 5 GGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000130621416 1416412639 /nfs/dbraw/zinc/41/26/39/1416412639.db2.gz FHSWFJYANRVONE-CQSZACIVSA-N 1 2 377.832 3.364 20 5 GGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000131042863 1416499947 /nfs/dbraw/zinc/49/99/47/1416499947.db2.gz OOOLFSFJLZTXEL-UHFFFAOYSA-N 1 2 387.461 3.158 20 5 GGBDLO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1nc(C(C)(C)C)no1 ZINC000131568958 1416577549 /nfs/dbraw/zinc/57/75/49/1416577549.db2.gz UAYXQVDORNGQKQ-SNVBAGLBSA-N 1 2 379.392 3.094 20 5 GGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000131836195 1416631875 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USTRCPJIBRAWBY-LRDDRELGSA-N 1 2 386.433 3.084 20 5 GGBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000149446017 1417776322 /nfs/dbraw/zinc/77/63/22/1417776322.db2.gz YILVPJMEWAZZTN-UHFFFAOYSA-N 1 2 394.435 3.328 20 5 GGBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000151518126 1418011446 /nfs/dbraw/zinc/01/14/46/1418011446.db2.gz BFKRRQIAKIYDJJ-LBPRGKRZSA-N 1 2 377.832 3.468 20 5 GGBDLO O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000179151027 1429279086 /nfs/dbraw/zinc/27/90/86/1429279086.db2.gz RAJUYHZMTRTSCP-UHFFFAOYSA-N 1 2 391.518 3.234 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C ZINC000179208935 1429295489 /nfs/dbraw/zinc/29/54/89/1429295489.db2.gz XMXWKROPXHLXKE-UHFFFAOYSA-N 1 2 382.420 3.298 20 5 GGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000179654991 1429491994 /nfs/dbraw/zinc/49/19/94/1429491994.db2.gz YEOIRHNDRLJJFY-UHFFFAOYSA-N 1 2 385.342 3.021 20 5 GGBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000152333013 1422075102 /nfs/dbraw/zinc/07/51/02/1422075102.db2.gz BSZWBMRAQSFJKO-GFCCVEGCSA-N 1 2 377.832 3.468 20 5 GGBDLO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000179729433 1429526460 /nfs/dbraw/zinc/52/64/60/1429526460.db2.gz JLYDPUDJSBEKPR-QGZVFWFLSA-N 1 2 389.427 3.442 20 5 GGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc2NC1=O ZINC000152571531 1422147898 /nfs/dbraw/zinc/14/78/98/1422147898.db2.gz LMBSUGWSRYJQCZ-ZDUSSCGKSA-N 1 2 391.387 3.016 20 5 GGBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152705919 1422216856 /nfs/dbraw/zinc/21/68/56/1422216856.db2.gz HZRKHBHRZUHNIS-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000152785310 1422247856 /nfs/dbraw/zinc/24/78/56/1422247856.db2.gz RWGUHYGLJOHENR-HUUCEWRRSA-N 1 2 395.525 3.182 20 5 GGBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000152848274 1422270453 /nfs/dbraw/zinc/27/04/53/1422270453.db2.gz ZJHCVFBXRWTMIV-CYBMUJFWSA-N 1 2 380.326 3.017 20 5 GGBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153025069 1422330548 /nfs/dbraw/zinc/33/05/48/1422330548.db2.gz MFQGMCRPZAJGLD-CQSZACIVSA-N 1 2 395.444 3.122 20 5 GGBDLO COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000153028451 1422331571 /nfs/dbraw/zinc/33/15/71/1422331571.db2.gz GVQKWBFRNNBTLG-MRXNPFEDSA-N 1 2 392.415 3.419 20 5 GGBDLO COc1ccccc1[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000153028553 1422332154 /nfs/dbraw/zinc/33/21/54/1422332154.db2.gz GVQKWBFRNNBTLG-INIZCTEOSA-N 1 2 392.415 3.419 20 5 GGBDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229312 1422405445 /nfs/dbraw/zinc/40/54/45/1422405445.db2.gz YTQZHJHUVKPBGT-HNNXBMFYSA-N 1 2 383.448 3.445 20 5 GGBDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229312 1422405453 /nfs/dbraw/zinc/40/54/53/1422405453.db2.gz YTQZHJHUVKPBGT-HNNXBMFYSA-N 1 2 383.448 3.445 20 5 GGBDLO COCc1cccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153237526 1422410605 /nfs/dbraw/zinc/41/06/05/1422410605.db2.gz MFVOPFFJGUDJLZ-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO COCc1cccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153237526 1422410611 /nfs/dbraw/zinc/41/06/11/1422410611.db2.gz MFVOPFFJGUDJLZ-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO COCc1ccccc1CNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153293092 1422446237 /nfs/dbraw/zinc/44/62/37/1422446237.db2.gz UZIIWEOKXLQNTP-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO COCc1ccccc1CNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153293092 1422446240 /nfs/dbraw/zinc/44/62/40/1422446240.db2.gz UZIIWEOKXLQNTP-UHFFFAOYSA-N 1 2 383.448 3.022 20 5 GGBDLO Cc1cc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C(C)(C)C)n1 ZINC000153323206 1422468829 /nfs/dbraw/zinc/46/88/29/1422468829.db2.gz QBJBUDGTORJTJA-UHFFFAOYSA-N 1 2 385.468 3.458 20 5 GGBDLO Cc1cc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C(C)(C)C)n1 ZINC000153323206 1422468840 /nfs/dbraw/zinc/46/88/40/1422468840.db2.gz QBJBUDGTORJTJA-UHFFFAOYSA-N 1 2 385.468 3.458 20 5 GGBDLO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000153829449 1422784787 /nfs/dbraw/zinc/78/47/87/1422784787.db2.gz BWNGLPZJOZIKDR-UHFFFAOYSA-N 1 2 393.465 3.246 20 5 GGBDLO COc1cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000154358551 1422877962 /nfs/dbraw/zinc/87/79/62/1422877962.db2.gz QURIAGCOVQIADS-GASCZTMLSA-N 1 2 399.447 3.465 20 5 GGBDLO COc1cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000154358551 1422877963 /nfs/dbraw/zinc/87/79/63/1422877963.db2.gz QURIAGCOVQIADS-GASCZTMLSA-N 1 2 399.447 3.465 20 5 GGBDLO O=C(NCC1(c2cccc(F)c2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000154438391 1422888674 /nfs/dbraw/zinc/88/86/74/1422888674.db2.gz OHDOBXSKUIAWFD-UHFFFAOYSA-N 1 2 380.379 3.381 20 5 GGBDLO CC(C)n1ncc2cc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cnc21 ZINC000154688520 1423001739 /nfs/dbraw/zinc/00/17/39/1423001739.db2.gz JLMHBWOMLPERQT-UHFFFAOYSA-N 1 2 380.452 3.243 20 5 GGBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154693711 1423003389 /nfs/dbraw/zinc/00/33/89/1423003389.db2.gz PAFBAHXNTPVHLH-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO O=C1N(C[NH+]2CCC(OC3CCCC3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154727751 1423012772 /nfs/dbraw/zinc/01/27/72/1423012772.db2.gz XWBLQTKECLBLFY-UHFFFAOYSA-N 1 2 388.468 3.218 20 5 GGBDLO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000154732125 1423014337 /nfs/dbraw/zinc/01/43/37/1423014337.db2.gz DNWSCPXAXSSRLH-UHFFFAOYSA-N 1 2 391.859 3.149 20 5 GGBDLO CCOc1ccnc(N2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000154732125 1423014347 /nfs/dbraw/zinc/01/43/47/1423014347.db2.gz DNWSCPXAXSSRLH-UHFFFAOYSA-N 1 2 391.859 3.149 20 5 GGBDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCCC1 ZINC000154781164 1423030586 /nfs/dbraw/zinc/03/05/86/1423030586.db2.gz REHOUVYENWAAKM-UHFFFAOYSA-N 1 2 377.441 3.087 20 5 GGBDLO COC(=O)C1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCCCC1 ZINC000154866154 1423059789 /nfs/dbraw/zinc/05/97/89/1423059789.db2.gz DTFKRDGXOFNRSF-UHFFFAOYSA-N 1 2 377.441 3.087 20 5 GGBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000155102467 1423163038 /nfs/dbraw/zinc/16/30/38/1423163038.db2.gz YYBINZDZYMRZNP-UHFFFAOYSA-N 1 2 375.425 3.164 20 5 GGBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000155102467 1423163063 /nfs/dbraw/zinc/16/30/63/1423163063.db2.gz YYBINZDZYMRZNP-UHFFFAOYSA-N 1 2 375.425 3.164 20 5 GGBDLO O=C(NC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1)C1CC1 ZINC000179910152 1429636192 /nfs/dbraw/zinc/63/61/92/1429636192.db2.gz ISBYEXFPYBBIDJ-UHFFFAOYSA-N 1 2 386.477 3.209 20 5 GGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156341598 1423789454 /nfs/dbraw/zinc/78/94/54/1423789454.db2.gz XFLKVKGQVCIRFA-DOMZBBRYSA-N 1 2 390.827 3.124 20 5 GGBDLO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000156714582 1423852914 /nfs/dbraw/zinc/85/29/14/1423852914.db2.gz CZHUDKYHHDVWGC-KRWDZBQOSA-N 1 2 377.466 3.288 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](C3CC3)[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000157024001 1423904946 /nfs/dbraw/zinc/90/49/46/1423904946.db2.gz OZZSRKPPIGAHAQ-INIZCTEOSA-N 1 2 376.434 3.006 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](C3CC3)[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000157024001 1423904951 /nfs/dbraw/zinc/90/49/51/1423904951.db2.gz OZZSRKPPIGAHAQ-INIZCTEOSA-N 1 2 376.434 3.006 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+](C3CC3)[C@@H]3CCS(=O)(=O)C3)o2)c1 ZINC000157053531 1423912735 /nfs/dbraw/zinc/91/27/35/1423912735.db2.gz PBAAHCLYRCYDLQ-MRXNPFEDSA-N 1 2 376.434 3.006 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](C3CC3)[C@@H]3CCS(=O)(=O)C3)o2)c1 ZINC000157053531 1423912742 /nfs/dbraw/zinc/91/27/42/1423912742.db2.gz PBAAHCLYRCYDLQ-MRXNPFEDSA-N 1 2 376.434 3.006 20 5 GGBDLO C[C@@H](O)C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000158883608 1424363570 /nfs/dbraw/zinc/36/35/70/1424363570.db2.gz GVDRIMAMHSCUBI-CRAIPNDOSA-N 1 2 394.431 3.065 20 5 GGBDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000160670154 1424624308 /nfs/dbraw/zinc/62/43/08/1424624308.db2.gz GOYUSBWHZMPQGF-UHFFFAOYSA-N 1 2 385.420 3.135 20 5 GGBDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000160670154 1424624313 /nfs/dbraw/zinc/62/43/13/1424624313.db2.gz GOYUSBWHZMPQGF-UHFFFAOYSA-N 1 2 385.420 3.135 20 5 GGBDLO COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000161964282 1424803720 /nfs/dbraw/zinc/80/37/20/1424803720.db2.gz HGXUCGCWGZHLLA-KRWDZBQOSA-N 1 2 396.403 3.497 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000162966827 1424914180 /nfs/dbraw/zinc/91/41/80/1424914180.db2.gz SDOBMIQQOCYORX-UHFFFAOYSA-N 1 2 384.436 3.132 20 5 GGBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163907509 1425057246 /nfs/dbraw/zinc/05/72/46/1425057246.db2.gz OMRAJCIDGMKAPI-UHFFFAOYSA-N 1 2 383.452 3.044 20 5 GGBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC000171091710 1425478376 /nfs/dbraw/zinc/47/83/76/1425478376.db2.gz OIWSEAZEPWPMNI-UHFFFAOYSA-N 1 2 399.856 3.089 20 5 GGBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000171434201 1425676831 /nfs/dbraw/zinc/67/68/31/1425676831.db2.gz VCUWDQRXHNBHFS-MRXNPFEDSA-N 1 2 398.463 3.192 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000171586139 1425745916 /nfs/dbraw/zinc/74/59/16/1425745916.db2.gz JZOXCGQHCCOYMT-AWEZNQCLSA-N 1 2 387.411 3.262 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000171588676 1425749934 /nfs/dbraw/zinc/74/99/34/1425749934.db2.gz HPHCLKXSNRFFGH-INIZCTEOSA-N 1 2 383.448 3.431 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000171590121 1425750645 /nfs/dbraw/zinc/75/06/45/1425750645.db2.gz YMPBHLBZZUYPFY-INIZCTEOSA-N 1 2 383.448 3.051 20 5 GGBDLO O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172081957 1425892539 /nfs/dbraw/zinc/89/25/39/1425892539.db2.gz WJEMRFZEZZTZSI-KRWDZBQOSA-N 1 2 391.431 3.179 20 5 GGBDLO CCOc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1OC ZINC000172150364 1425922382 /nfs/dbraw/zinc/92/23/82/1425922382.db2.gz ZJPGFHIHLDEEPQ-UHFFFAOYSA-N 1 2 396.403 3.118 20 5 GGBDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C1 ZINC000172183794 1425937609 /nfs/dbraw/zinc/93/76/09/1425937609.db2.gz OSNKJLDEFDQDRV-UHFFFAOYSA-N 1 2 375.450 3.430 20 5 GGBDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C1 ZINC000172183794 1425937616 /nfs/dbraw/zinc/93/76/16/1425937616.db2.gz OSNKJLDEFDQDRV-UHFFFAOYSA-N 1 2 375.450 3.430 20 5 GGBDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCc4c3cccc4[N+](=O)[O-])cn2c1 ZINC000172360964 1426013973 /nfs/dbraw/zinc/01/39/73/1426013973.db2.gz RCQVXVHTFMQDAW-UHFFFAOYSA-N 1 2 382.445 3.373 20 5 GGBDLO O=C(Oc1cccc(-n2cccn2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172419429 1426035555 /nfs/dbraw/zinc/03/55/55/1426035555.db2.gz DIGUBBGJZDMKQV-UHFFFAOYSA-N 1 2 375.344 3.185 20 5 GGBDLO CN1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000172429694 1426041710 /nfs/dbraw/zinc/04/17/10/1426041710.db2.gz STVTWBKSNJAKJU-UHFFFAOYSA-N 1 2 377.404 3.267 20 5 GGBDLO O=[N+]([O-])c1ccc(CCCCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000172614775 1426114328 /nfs/dbraw/zinc/11/43/28/1426114328.db2.gz WYNKAUYRIWZCEU-QGZVFWFLSA-N 1 2 385.468 3.028 20 5 GGBDLO O=[N+]([O-])c1ccc(CCCCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000172614775 1426114336 /nfs/dbraw/zinc/11/43/36/1426114336.db2.gz WYNKAUYRIWZCEU-QGZVFWFLSA-N 1 2 385.468 3.028 20 5 GGBDLO COc1ccc2c(c1)N(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000172717735 1426157958 /nfs/dbraw/zinc/15/79/58/1426157958.db2.gz PMWFTJNHAGSWGG-CYBMUJFWSA-N 1 2 394.387 3.217 20 5 GGBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000172742837 1426169981 /nfs/dbraw/zinc/16/99/81/1426169981.db2.gz NIMNMWSKURAOQO-ZDUSSCGKSA-N 1 2 384.367 3.117 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000172824203 1426206134 /nfs/dbraw/zinc/20/61/34/1426206134.db2.gz ALRATPUAKFOYIT-IYBDPMFKSA-N 1 2 383.448 3.385 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000172824203 1426206143 /nfs/dbraw/zinc/20/61/43/1426206143.db2.gz ALRATPUAKFOYIT-IYBDPMFKSA-N 1 2 383.448 3.385 20 5 GGBDLO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000173428930 1426610944 /nfs/dbraw/zinc/61/09/44/1426610944.db2.gz MBSKYUARHAFARK-UHFFFAOYSA-N 1 2 378.454 3.222 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000173466086 1426640697 /nfs/dbraw/zinc/64/06/97/1426640697.db2.gz SIKLDKNHNZZDCM-CYBMUJFWSA-N 1 2 382.449 3.195 20 5 GGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000173466086 1426640708 /nfs/dbraw/zinc/64/07/08/1426640708.db2.gz SIKLDKNHNZZDCM-CYBMUJFWSA-N 1 2 382.449 3.195 20 5 GGBDLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470400 1426645265 /nfs/dbraw/zinc/64/52/65/1426645265.db2.gz KRKDCDXMOICCIZ-KRWDZBQOSA-N 1 2 384.436 3.278 20 5 GGBDLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470400 1426645268 /nfs/dbraw/zinc/64/52/68/1426645268.db2.gz KRKDCDXMOICCIZ-KRWDZBQOSA-N 1 2 384.436 3.278 20 5 GGBDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471365 1426645870 /nfs/dbraw/zinc/64/58/70/1426645870.db2.gz NDJYCYBLDDAOIO-HOCLYGCPSA-N 1 2 394.435 3.211 20 5 GGBDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471365 1426645883 /nfs/dbraw/zinc/64/58/83/1426645883.db2.gz NDJYCYBLDDAOIO-HOCLYGCPSA-N 1 2 394.435 3.211 20 5 GGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000173690233 1426822138 /nfs/dbraw/zinc/82/21/38/1426822138.db2.gz GVPYKOOQLPDIFR-KRWDZBQOSA-N 1 2 398.444 3.092 20 5 GGBDLO CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000174080479 1426991439 /nfs/dbraw/zinc/99/14/39/1426991439.db2.gz YVXOSCRTOQBKKN-MRXNPFEDSA-N 1 2 375.469 3.290 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000174199083 1427046415 /nfs/dbraw/zinc/04/64/15/1427046415.db2.gz FSCGEPLIVIGORL-UHFFFAOYSA-N 1 2 386.427 3.199 20 5 GGBDLO Cc1c(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cccc1[N+](=O)[O-] ZINC000174202531 1427048205 /nfs/dbraw/zinc/04/82/05/1427048205.db2.gz FAVVBBPSPKTPBW-UHFFFAOYSA-N 1 2 382.464 3.368 20 5 GGBDLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243891 1427066367 /nfs/dbraw/zinc/06/63/67/1427066367.db2.gz PWSLVXXPKXWKPS-UHFFFAOYSA-N 1 2 399.447 3.394 20 5 GGBDLO C[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000174243694 1427066409 /nfs/dbraw/zinc/06/64/09/1427066409.db2.gz GKFPQGQWPISQJY-CQSZACIVSA-N 1 2 389.477 3.377 20 5 GGBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000174539408 1427210833 /nfs/dbraw/zinc/21/08/33/1427210833.db2.gz SQOJKTWYZZBBKH-UHFFFAOYSA-N 1 2 379.800 3.033 20 5 GGBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000174539408 1427210843 /nfs/dbraw/zinc/21/08/43/1427210843.db2.gz SQOJKTWYZZBBKH-UHFFFAOYSA-N 1 2 379.800 3.033 20 5 GGBDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1O ZINC000174540144 1427212072 /nfs/dbraw/zinc/21/20/72/1427212072.db2.gz LDQJLLCGMPLDRM-UHFFFAOYSA-N 1 2 379.800 3.033 20 5 GGBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1O ZINC000174540144 1427212082 /nfs/dbraw/zinc/21/20/82/1427212082.db2.gz LDQJLLCGMPLDRM-UHFFFAOYSA-N 1 2 379.800 3.033 20 5 GGBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175048403 1427519192 /nfs/dbraw/zinc/51/91/92/1427519192.db2.gz ASAQGJSNPFHWRA-UHFFFAOYSA-N 1 2 389.839 3.010 20 5 GGBDLO CC(C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000175252423 1427626516 /nfs/dbraw/zinc/62/65/16/1427626516.db2.gz VRMPVXSPZMJPIU-QGZVFWFLSA-N 1 2 379.420 3.345 20 5 GGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175265289 1427634889 /nfs/dbraw/zinc/63/48/89/1427634889.db2.gz IPBMFVLUUKAFIW-UHFFFAOYSA-N 1 2 397.479 3.438 20 5 GGBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175415576 1427742811 /nfs/dbraw/zinc/74/28/11/1427742811.db2.gz RCQXSGKDQDXIPY-PFUSGODGSA-N 1 2 390.461 3.392 20 5 GGBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175415576 1427742814 /nfs/dbraw/zinc/74/28/14/1427742814.db2.gz RCQXSGKDQDXIPY-PFUSGODGSA-N 1 2 390.461 3.392 20 5 GGBDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175415512 1427742820 /nfs/dbraw/zinc/74/28/20/1427742820.db2.gz RCQXSGKDQDXIPY-CEXHIMGSSA-N 1 2 390.461 3.392 20 5 GGBDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175415512 1427742822 /nfs/dbraw/zinc/74/28/22/1427742822.db2.gz RCQXSGKDQDXIPY-CEXHIMGSSA-N 1 2 390.461 3.392 20 5 GGBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)CC1 ZINC000175803692 1427898642 /nfs/dbraw/zinc/89/86/42/1427898642.db2.gz LSPFZWUSFPCFIM-UHFFFAOYSA-N 1 2 388.855 3.248 20 5 GGBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175820440 1427909992 /nfs/dbraw/zinc/90/99/92/1427909992.db2.gz KQGXLFGLFPYTSH-UHFFFAOYSA-N 1 2 375.812 3.333 20 5 GGBDLO Cc1nn(C[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000176151295 1428120879 /nfs/dbraw/zinc/12/08/79/1428120879.db2.gz DQQLWUKHGWZWPH-OAHLLOKOSA-N 1 2 383.493 3.237 20 5 GGBDLO Cc1nn(C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000176151295 1428120884 /nfs/dbraw/zinc/12/08/84/1428120884.db2.gz DQQLWUKHGWZWPH-OAHLLOKOSA-N 1 2 383.493 3.237 20 5 GGBDLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000180423419 1429864987 /nfs/dbraw/zinc/86/49/87/1429864987.db2.gz QYHJYOGLKXQWCS-GFCCVEGCSA-N 1 2 389.433 3.380 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000180506516 1429885223 /nfs/dbraw/zinc/88/52/23/1429885223.db2.gz YLVIQPAEKYBSCQ-INIZCTEOSA-N 1 2 387.440 3.109 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000180506516 1429885224 /nfs/dbraw/zinc/88/52/24/1429885224.db2.gz YLVIQPAEKYBSCQ-INIZCTEOSA-N 1 2 387.440 3.109 20 5 GGBDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000180509745 1429885765 /nfs/dbraw/zinc/88/57/65/1429885765.db2.gz CZDMCEHOMGHZEA-INIZCTEOSA-N 1 2 379.338 3.249 20 5 GGBDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000180509745 1429885767 /nfs/dbraw/zinc/88/57/67/1429885767.db2.gz CZDMCEHOMGHZEA-INIZCTEOSA-N 1 2 379.338 3.249 20 5 GGBDLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1[N+](=O)[O-] ZINC000180714363 1429995597 /nfs/dbraw/zinc/99/55/97/1429995597.db2.gz MSUUJRGVXOHJHB-UHFFFAOYSA-N 1 2 375.450 3.428 20 5 GGBDLO Cc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1[N+](=O)[O-] ZINC000180714363 1429995602 /nfs/dbraw/zinc/99/56/02/1429995602.db2.gz MSUUJRGVXOHJHB-UHFFFAOYSA-N 1 2 375.450 3.428 20 5 GGBDLO CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000180852577 1430070682 /nfs/dbraw/zinc/07/06/82/1430070682.db2.gz RMOGGNQRRRVLND-LPHOPBHVSA-N 1 2 386.452 3.494 20 5 GGBDLO CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000180852558 1430070764 /nfs/dbraw/zinc/07/07/64/1430070764.db2.gz RMOGGNQRRRVLND-VQIMIIECSA-N 1 2 386.452 3.494 20 5 GGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181192716 1430244222 /nfs/dbraw/zinc/24/42/22/1430244222.db2.gz HJELNYVPAUTTJB-UHFFFAOYSA-N 1 2 386.751 3.415 20 5 GGBDLO CC[C@@H](C)Oc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000181434052 1430298260 /nfs/dbraw/zinc/29/82/60/1430298260.db2.gz YDTHZEAVXLZTHL-CQSZACIVSA-N 1 2 395.419 3.283 20 5 GGBDLO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1[N+](=O)[O-] ZINC000181836619 1430369899 /nfs/dbraw/zinc/36/98/99/1430369899.db2.gz HRAJJCVGNMXKRZ-AWEZNQCLSA-N 1 2 393.465 3.132 20 5 GGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1[N+](=O)[O-] ZINC000181836603 1430369980 /nfs/dbraw/zinc/36/99/80/1430369980.db2.gz HRAJJCVGNMXKRZ-CQSZACIVSA-N 1 2 393.465 3.132 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000181915564 1430382634 /nfs/dbraw/zinc/38/26/34/1430382634.db2.gz RPVAPFSDPANMAK-WWMYMODYSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000181915564 1430382638 /nfs/dbraw/zinc/38/26/38/1430382638.db2.gz RPVAPFSDPANMAK-WWMYMODYSA-N 1 2 386.448 3.105 20 5 GGBDLO O=C(NCCCNc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182085908 1430408978 /nfs/dbraw/zinc/40/89/78/1430408978.db2.gz ZSGQFUYKRKPNCP-UHFFFAOYSA-N 1 2 383.383 3.152 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182198204 1430428301 /nfs/dbraw/zinc/42/83/01/1430428301.db2.gz TTXFAOHTXOOISC-IBGZPJMESA-N 1 2 390.461 3.214 20 5 GGBDLO COc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182198204 1430428305 /nfs/dbraw/zinc/42/83/05/1430428305.db2.gz TTXFAOHTXOOISC-IBGZPJMESA-N 1 2 390.461 3.214 20 5 GGBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000182397931 1430459667 /nfs/dbraw/zinc/45/96/67/1430459667.db2.gz MPMMKICJZRPIRT-BXUZGUMPSA-N 1 2 380.351 3.116 20 5 GGBDLO Cc1cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000182415981 1430464051 /nfs/dbraw/zinc/46/40/51/1430464051.db2.gz HPULFDZXOGUDOQ-UHFFFAOYSA-N 1 2 393.403 3.381 20 5 GGBDLO CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182841826 1430551799 /nfs/dbraw/zinc/55/17/99/1430551799.db2.gz KGLYPXFKWFRZHI-UHFFFAOYSA-N 1 2 394.431 3.194 20 5 GGBDLO C[S@](=O)C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000183139896 1430626670 /nfs/dbraw/zinc/62/66/70/1430626670.db2.gz LWMQDZKUDWWXTG-CLYVBNDRSA-N 1 2 385.445 3.459 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4cccc(F)c4)C3)n2)c1 ZINC000183387078 1430697742 /nfs/dbraw/zinc/69/77/42/1430697742.db2.gz LNMODCIDAQZMGE-QGZVFWFLSA-N 1 2 384.367 3.437 20 5 GGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)n2)c1 ZINC000183387078 1430697751 /nfs/dbraw/zinc/69/77/51/1430697751.db2.gz LNMODCIDAQZMGE-QGZVFWFLSA-N 1 2 384.367 3.437 20 5 GGBDLO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000183973228 1430821195 /nfs/dbraw/zinc/82/11/95/1430821195.db2.gz WKKWUTRYXIFOEX-UHFFFAOYSA-N 1 2 378.454 3.222 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183981249 1430822975 /nfs/dbraw/zinc/82/29/75/1430822975.db2.gz LXDVFJAFEBWWTM-LLVKDONJSA-N 1 2 378.454 3.220 20 5 GGBDLO CC(C)COC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000184162178 1430849091 /nfs/dbraw/zinc/84/90/91/1430849091.db2.gz LNYUBDSJKACUIX-KRWDZBQOSA-N 1 2 387.436 3.080 20 5 GGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000184381506 1430881110 /nfs/dbraw/zinc/88/11/10/1430881110.db2.gz RMZIOLOLROEGKD-HNNXBMFYSA-N 1 2 389.477 3.331 20 5 GGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000184381527 1430881116 /nfs/dbraw/zinc/88/11/16/1430881116.db2.gz RMZIOLOLROEGKD-OAHLLOKOSA-N 1 2 389.477 3.331 20 5 GGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000184467453 1430890879 /nfs/dbraw/zinc/89/08/79/1430890879.db2.gz MVDQQVRSIUZZDZ-AWEZNQCLSA-N 1 2 388.424 3.199 20 5 GGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000184467453 1430890880 /nfs/dbraw/zinc/89/08/80/1430890880.db2.gz MVDQQVRSIUZZDZ-AWEZNQCLSA-N 1 2 388.424 3.199 20 5 GGBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000184718941 1430952436 /nfs/dbraw/zinc/95/24/36/1430952436.db2.gz VSWGXPNZOWGBNQ-ZDUSSCGKSA-N 1 2 375.450 3.004 20 5 GGBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000184718941 1430952439 /nfs/dbraw/zinc/95/24/39/1430952439.db2.gz VSWGXPNZOWGBNQ-ZDUSSCGKSA-N 1 2 375.450 3.004 20 5 GGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000184792319 1430978667 /nfs/dbraw/zinc/97/86/67/1430978667.db2.gz CYJRTTFJMWXPII-PKOBYXMFSA-N 1 2 396.491 3.464 20 5 GGBDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000184832594 1430995836 /nfs/dbraw/zinc/99/58/36/1430995836.db2.gz PLGSFTPJYBDESX-XJKSGUPXSA-N 1 2 375.425 3.363 20 5 GGBDLO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ncc(-c2ccccc2)o1 ZINC000184874302 1431009285 /nfs/dbraw/zinc/00/92/85/1431009285.db2.gz IYUMSHRFWVWWDP-CQSZACIVSA-N 1 2 392.415 3.490 20 5 GGBDLO C[C@@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000184921195 1431021984 /nfs/dbraw/zinc/02/19/84/1431021984.db2.gz RXAGFSNKIXTTFC-OAHLLOKOSA-N 1 2 396.422 3.441 20 5 GGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000185121434 1431065455 /nfs/dbraw/zinc/06/54/55/1431065455.db2.gz GHUNTCIXCXENET-GOSISDBHSA-N 1 2 382.464 3.475 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185185311 1431079439 /nfs/dbraw/zinc/07/94/39/1431079439.db2.gz SCQITXVGJMQZKF-GFCCVEGCSA-N 1 2 375.429 3.263 20 5 GGBDLO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000185215004 1431086748 /nfs/dbraw/zinc/08/67/48/1431086748.db2.gz VYIIHIUQZBZFPM-BBRMVZONSA-N 1 2 390.440 3.116 20 5 GGBDLO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000185276214 1431098161 /nfs/dbraw/zinc/09/81/61/1431098161.db2.gz DJQUHIWRVVDDPS-DZGCQCFKSA-N 1 2 390.440 3.116 20 5 GGBDLO CN(C(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000185314449 1431110527 /nfs/dbraw/zinc/11/05/27/1431110527.db2.gz OZFSESUAHXCYAN-ZDUSSCGKSA-N 1 2 375.375 3.325 20 5 GGBDLO CN(C(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000185314449 1431110531 /nfs/dbraw/zinc/11/05/31/1431110531.db2.gz OZFSESUAHXCYAN-ZDUSSCGKSA-N 1 2 375.375 3.325 20 5 GGBDLO CN(C(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000185314469 1431110858 /nfs/dbraw/zinc/11/08/58/1431110858.db2.gz OZFSESUAHXCYAN-CYBMUJFWSA-N 1 2 375.375 3.325 20 5 GGBDLO CN(C(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000185314469 1431110860 /nfs/dbraw/zinc/11/08/60/1431110860.db2.gz OZFSESUAHXCYAN-CYBMUJFWSA-N 1 2 375.375 3.325 20 5 GGBDLO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000185381728 1431130945 /nfs/dbraw/zinc/13/09/45/1431130945.db2.gz MPSTZVHDAOJZII-CQSZACIVSA-N 1 2 395.419 3.248 20 5 GGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000185524546 1431164389 /nfs/dbraw/zinc/16/43/89/1431164389.db2.gz MNTJAPALEVHFNT-KRWDZBQOSA-N 1 2 398.463 3.342 20 5 GGBDLO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185614895 1431184408 /nfs/dbraw/zinc/18/44/08/1431184408.db2.gz CJVSEHCUQMDCIV-QGZVFWFLSA-N 1 2 399.447 3.133 20 5 GGBDLO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185614895 1431184409 /nfs/dbraw/zinc/18/44/09/1431184409.db2.gz CJVSEHCUQMDCIV-QGZVFWFLSA-N 1 2 399.447 3.133 20 5 GGBDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185638856 1431192027 /nfs/dbraw/zinc/19/20/27/1431192027.db2.gz KGGGDKOWFOSJQI-UHFFFAOYSA-N 1 2 382.420 3.373 20 5 GGBDLO CN1Cc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000185940142 1431287819 /nfs/dbraw/zinc/28/78/19/1431287819.db2.gz OZHKHIDYUIKPIV-UHFFFAOYSA-N 1 2 392.375 3.010 20 5 GGBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000186426424 1431415400 /nfs/dbraw/zinc/41/54/00/1431415400.db2.gz YCPFXRXDWHGONM-OAHLLOKOSA-N 1 2 381.436 3.403 20 5 GGBDLO CSc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000186454763 1431423754 /nfs/dbraw/zinc/42/37/54/1431423754.db2.gz RQIGWIDARWOSRD-UHFFFAOYSA-N 1 2 382.445 3.492 20 5 GGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186816008 1431525859 /nfs/dbraw/zinc/52/58/59/1431525859.db2.gz CVQQFYGKKYCBGE-GFCCVEGCSA-N 1 2 399.900 3.173 20 5 GGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186816008 1431525867 /nfs/dbraw/zinc/52/58/67/1431525867.db2.gz CVQQFYGKKYCBGE-GFCCVEGCSA-N 1 2 399.900 3.173 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000187009538 1431588273 /nfs/dbraw/zinc/58/82/73/1431588273.db2.gz BRHYPXXEPUMDHV-NRFANRHFSA-N 1 2 390.399 3.052 20 5 GGBDLO COc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc([N+](=O)[O-])c1C ZINC000188325127 1431873390 /nfs/dbraw/zinc/87/33/90/1431873390.db2.gz IPFABHSXASPORY-UHFFFAOYSA-N 1 2 380.404 3.087 20 5 GGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189143770 1432052047 /nfs/dbraw/zinc/05/20/47/1432052047.db2.gz UJEOZXGLFGJVIF-YVEFUNNKSA-N 1 2 381.860 3.466 20 5 GGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189143749 1432052163 /nfs/dbraw/zinc/05/21/63/1432052163.db2.gz UJEOZXGLFGJVIF-PXAZEXFGSA-N 1 2 381.860 3.466 20 5 GGBDLO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccco1 ZINC000189750042 1432223395 /nfs/dbraw/zinc/22/33/95/1432223395.db2.gz CYNJUIBYZIDYEC-HNNXBMFYSA-N 1 2 381.454 3.086 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000190973404 1432541028 /nfs/dbraw/zinc/54/10/28/1432541028.db2.gz UQMLNTAFWXYHDN-AWEZNQCLSA-N 1 2 391.468 3.354 20 5 GGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC3(CCCC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000190973404 1432541030 /nfs/dbraw/zinc/54/10/30/1432541030.db2.gz UQMLNTAFWXYHDN-AWEZNQCLSA-N 1 2 391.468 3.354 20 5 GGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(c1ccccc1)[C@H]1CCOC1 ZINC000192070336 1432792718 /nfs/dbraw/zinc/79/27/18/1432792718.db2.gz UBXVVDVYCGZIQC-KRWDZBQOSA-N 1 2 378.388 3.216 20 5 GGBDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192988993 1432918148 /nfs/dbraw/zinc/91/81/48/1432918148.db2.gz CDXAOEXFMXGBRW-ROUUACIJSA-N 1 2 396.491 3.291 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193129233 1432941164 /nfs/dbraw/zinc/94/11/64/1432941164.db2.gz LYCBBCIAMIUKCN-UHFFFAOYSA-N 1 2 385.424 3.310 20 5 GGBDLO COc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1[N+](=O)[O-] ZINC000193176916 1432951582 /nfs/dbraw/zinc/95/15/82/1432951582.db2.gz MSUYJAFUDWJLIT-UHFFFAOYSA-N 1 2 376.438 3.298 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2noc(CNc3ccccc3C[NH+]3CCOCC3)n2)cc1 ZINC000193573470 1433021889 /nfs/dbraw/zinc/02/18/89/1433021889.db2.gz MJISRPLUCQOWQY-UHFFFAOYSA-N 1 2 395.419 3.089 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000193777645 1433057338 /nfs/dbraw/zinc/05/73/38/1433057338.db2.gz GQQYGHFCBGIEKP-UHFFFAOYSA-N 1 2 398.463 3.144 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000193777645 1433057343 /nfs/dbraw/zinc/05/73/43/1433057343.db2.gz GQQYGHFCBGIEKP-UHFFFAOYSA-N 1 2 398.463 3.144 20 5 GGBDLO O=C1CCc2cc([N+](=O)[O-])c(NCc3cc[nH+]c(N4CCCCC4)c3)cc2N1 ZINC000194040224 1433105804 /nfs/dbraw/zinc/10/58/04/1433105804.db2.gz IYVYEDKXJUKOKR-UHFFFAOYSA-N 1 2 381.436 3.477 20 5 GGBDLO Cc1nn(C)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1[N+](=O)[O-] ZINC000194106649 1433118744 /nfs/dbraw/zinc/11/87/44/1433118744.db2.gz DXNJZKKWXFMMJB-UHFFFAOYSA-N 1 2 380.408 3.089 20 5 GGBDLO COc1cccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000194124159 1433121698 /nfs/dbraw/zinc/12/16/98/1433121698.db2.gz DDCHIKZYSMAUQC-UHFFFAOYSA-N 1 2 382.376 3.131 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000194335043 1433163294 /nfs/dbraw/zinc/16/32/94/1433163294.db2.gz YJYLFVHTAHXLPA-UHFFFAOYSA-N 1 2 379.457 3.069 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(OCCC(C)C)CC1 ZINC000194335161 1433163337 /nfs/dbraw/zinc/16/33/37/1433163337.db2.gz XBNIZUCMNLVGDP-OAHLLOKOSA-N 1 2 393.484 3.458 20 5 GGBDLO C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000194481531 1433185157 /nfs/dbraw/zinc/18/51/57/1433185157.db2.gz WWWDGLJSZDSEHB-HNNXBMFYSA-N 1 2 379.420 3.400 20 5 GGBDLO C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000194481546 1433185159 /nfs/dbraw/zinc/18/51/59/1433185159.db2.gz WWWDGLJSZDSEHB-OAHLLOKOSA-N 1 2 379.420 3.400 20 5 GGBDLO C[C@@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194554585 1433196358 /nfs/dbraw/zinc/19/63/58/1433196358.db2.gz ZGNLDKUSAUFBJR-QGZVFWFLSA-N 1 2 398.463 3.062 20 5 GGBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000194594152 1433203111 /nfs/dbraw/zinc/20/31/11/1433203111.db2.gz QYMHFUHSESITDO-INIZCTEOSA-N 1 2 383.448 3.431 20 5 GGBDLO CSc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000194860683 1433250581 /nfs/dbraw/zinc/25/05/81/1433250581.db2.gz HZNSQPBUPNVHCM-UHFFFAOYSA-N 1 2 387.461 3.401 20 5 GGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c([N+](=O)[O-])c1 ZINC000194871799 1433253171 /nfs/dbraw/zinc/25/31/71/1433253171.db2.gz COGYUFBOCHMXIY-UHFFFAOYSA-N 1 2 376.344 3.081 20 5 GGBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000195061479 1433287060 /nfs/dbraw/zinc/28/70/60/1433287060.db2.gz NAGJKSYXQYVSAW-SJLPKXTDSA-N 1 2 385.445 3.170 20 5 GGBDLO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195220345 1433308594 /nfs/dbraw/zinc/30/85/94/1433308594.db2.gz QGVGZNXDXGGNGZ-SFHVURJKSA-N 1 2 398.419 3.249 20 5 GGBDLO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195220345 1433308596 /nfs/dbraw/zinc/30/85/96/1433308596.db2.gz QGVGZNXDXGGNGZ-SFHVURJKSA-N 1 2 398.419 3.249 20 5 GGBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000195317006 1433318455 /nfs/dbraw/zinc/31/84/55/1433318455.db2.gz UXCDRUSQOVHNSO-UHFFFAOYSA-N 1 2 391.468 3.356 20 5 GGBDLO COc1cc(CNC[C@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237426788 1433402529 /nfs/dbraw/zinc/40/25/29/1433402529.db2.gz XSXMYRWHJHOEES-MRXNPFEDSA-N 1 2 375.425 3.132 20 5 GGBDLO COc1cc(CNC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237451138 1433403571 /nfs/dbraw/zinc/40/35/71/1433403571.db2.gz XSXMYRWHJHOEES-INIZCTEOSA-N 1 2 375.425 3.132 20 5 GGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nnc3n2CCC3)ccc1Oc1ccc(F)cc1 ZINC000237883987 1433431472 /nfs/dbraw/zinc/43/14/72/1433431472.db2.gz AKWXSOWGPASQTE-UHFFFAOYSA-N 1 2 383.383 3.354 20 5 GGBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000237937764 1433435942 /nfs/dbraw/zinc/43/59/42/1433435942.db2.gz DZELSXONPRJNBC-UHFFFAOYSA-N 1 2 389.477 3.059 20 5 GGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245400259 1433460467 /nfs/dbraw/zinc/46/04/67/1433460467.db2.gz XSPSEJXYZIQEDB-CJNGLKHVSA-N 1 2 396.403 3.478 20 5 GGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245400259 1433460470 /nfs/dbraw/zinc/46/04/70/1433460470.db2.gz XSPSEJXYZIQEDB-CJNGLKHVSA-N 1 2 396.403 3.478 20 5 GGBDLO C[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000245421312 1433464682 /nfs/dbraw/zinc/46/46/82/1433464682.db2.gz NQJZPTSOWPRTTF-ZACQAIPSSA-N 1 2 399.495 3.340 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245473386 1433474741 /nfs/dbraw/zinc/47/47/41/1433474741.db2.gz PYBDIYJDVUWWPS-LOKFHWFJSA-N 1 2 389.477 3.272 20 5 GGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245473386 1433474742 /nfs/dbraw/zinc/47/47/42/1433474742.db2.gz PYBDIYJDVUWWPS-LOKFHWFJSA-N 1 2 389.477 3.272 20 5 GGBDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000245798639 1433519426 /nfs/dbraw/zinc/51/94/26/1433519426.db2.gz YSAPVCPHFBNLFL-BBRMVZONSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccc(Cl)cc2)C1 ZINC000245798639 1433519429 /nfs/dbraw/zinc/51/94/29/1433519429.db2.gz YSAPVCPHFBNLFL-BBRMVZONSA-N 1 2 395.868 3.111 20 5 GGBDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000245800256 1433520224 /nfs/dbraw/zinc/52/02/24/1433520224.db2.gz ZDXFKBLFGMGAPP-MSOLQXFVSA-N 1 2 389.839 3.050 20 5 GGBDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000245800256 1433520225 /nfs/dbraw/zinc/52/02/25/1433520225.db2.gz ZDXFKBLFGMGAPP-MSOLQXFVSA-N 1 2 389.839 3.050 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246064590 1433563906 /nfs/dbraw/zinc/56/39/06/1433563906.db2.gz BNLQWECCHLCBBH-WBVHZDCISA-N 1 2 379.482 3.292 20 5 GGBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246064590 1433563910 /nfs/dbraw/zinc/56/39/10/1433563910.db2.gz BNLQWECCHLCBBH-WBVHZDCISA-N 1 2 379.482 3.292 20 5 GGBDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246535576 1433626622 /nfs/dbraw/zinc/62/66/22/1433626622.db2.gz PVJQZRRMEOVSKR-DYVFJYSZSA-N 1 2 375.450 3.447 20 5 GGBDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246535576 1433626628 /nfs/dbraw/zinc/62/66/28/1433626628.db2.gz PVJQZRRMEOVSKR-DYVFJYSZSA-N 1 2 375.450 3.447 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000247548781 1433736322 /nfs/dbraw/zinc/73/63/22/1433736322.db2.gz PSBGHSZZZNZMEM-CDXJDZJCSA-N 1 2 386.448 3.105 20 5 GGBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000247548781 1433736331 /nfs/dbraw/zinc/73/63/31/1433736331.db2.gz PSBGHSZZZNZMEM-CDXJDZJCSA-N 1 2 386.448 3.105 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000248146263 1433774477 /nfs/dbraw/zinc/77/44/77/1433774477.db2.gz SNABIWNZZKPDDE-UHFFFAOYSA-N 1 2 387.411 3.091 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000248146263 1433774478 /nfs/dbraw/zinc/77/44/78/1433774478.db2.gz SNABIWNZZKPDDE-UHFFFAOYSA-N 1 2 387.411 3.091 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248533878 1433807435 /nfs/dbraw/zinc/80/74/35/1433807435.db2.gz IWHQAOWWZRPHDS-FXAWDEMLSA-N 1 2 395.459 3.427 20 5 GGBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248533878 1433807437 /nfs/dbraw/zinc/80/74/37/1433807437.db2.gz IWHQAOWWZRPHDS-FXAWDEMLSA-N 1 2 395.459 3.427 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000248750190 1433819963 /nfs/dbraw/zinc/81/99/63/1433819963.db2.gz SPQBPBCFMKCQHH-VFNWGFHPSA-N 1 2 381.432 3.362 20 5 GGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000248750190 1433819964 /nfs/dbraw/zinc/81/99/64/1433819964.db2.gz SPQBPBCFMKCQHH-VFNWGFHPSA-N 1 2 381.432 3.362 20 5 GGBDLO CCOC(=O)c1ccc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000254955882 1433873012 /nfs/dbraw/zinc/87/30/12/1433873012.db2.gz ZHLHGKMRNJKJDK-ALCCZGGFSA-N 1 2 396.447 3.002 20 5 GGBDLO O=C(N=c1ccccn1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000255111397 1433876523 /nfs/dbraw/zinc/87/65/23/1433876523.db2.gz KHTGLQNWYSMUKW-UHFFFAOYSA-N 1 2 399.410 3.371 20 5 GGBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255712079 1433888251 /nfs/dbraw/zinc/88/82/51/1433888251.db2.gz RRPHPNKEPMMCOL-UITAMQMPSA-N 1 2 380.448 3.135 20 5 GGBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000255734345 1433888793 /nfs/dbraw/zinc/88/87/93/1433888793.db2.gz WTKCQKIEQLVCHK-HYXAFXHYSA-N 1 2 381.461 3.435 20 5 GGBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000255887986 1433891033 /nfs/dbraw/zinc/89/10/33/1433891033.db2.gz GPJKULNNVXYTFT-XGICHPGQSA-N 1 2 394.475 3.459 20 5 GGBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1OCCc2ccccc21 ZINC000263658301 1434016497 /nfs/dbraw/zinc/01/64/97/1434016497.db2.gz DBARNUSFYBHTPK-SFHVURJKSA-N 1 2 380.404 3.391 20 5 GGBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1OCCc2ccccc21 ZINC000263658301 1434016501 /nfs/dbraw/zinc/01/65/01/1434016501.db2.gz DBARNUSFYBHTPK-SFHVURJKSA-N 1 2 380.404 3.391 20 5 GGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1SC ZINC000264015148 1434062167 /nfs/dbraw/zinc/06/21/67/1434062167.db2.gz HEWIHDDPGLHUAE-UHFFFAOYSA-N 1 2 394.478 3.022 20 5 GGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1SC ZINC000264015148 1434062169 /nfs/dbraw/zinc/06/21/69/1434062169.db2.gz HEWIHDDPGLHUAE-UHFFFAOYSA-N 1 2 394.478 3.022 20 5 GGBDLO C[C@H](c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264176285 1434078549 /nfs/dbraw/zinc/07/85/49/1434078549.db2.gz DBWFMFMMSUFCOH-OAHLLOKOSA-N 1 2 385.420 3.006 20 5 GGBDLO C[C@@H](c1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264270572 1434090474 /nfs/dbraw/zinc/09/04/74/1434090474.db2.gz RPZZOGCABTUZHI-INIZCTEOSA-N 1 2 399.447 3.396 20 5 GGBDLO CC(=O)NC1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCCCC1 ZINC000264638566 1434138462 /nfs/dbraw/zinc/13/84/62/1434138462.db2.gz UZDPMQCJORSNQI-UHFFFAOYSA-N 1 2 396.407 3.126 20 5 GGBDLO COc1cc(F)c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000265166874 1434192970 /nfs/dbraw/zinc/19/29/70/1434192970.db2.gz SRGXXSINIHOBBR-NSHDSACASA-N 1 2 392.383 3.468 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)cc1OC(F)F ZINC000266410976 1434332540 /nfs/dbraw/zinc/33/25/40/1434332540.db2.gz QMRXWPGUEPQCGD-UHFFFAOYSA-N 1 2 384.408 3.365 20 5 GGBDLO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)cc1OC(F)F ZINC000266410976 1434332542 /nfs/dbraw/zinc/33/25/42/1434332542.db2.gz QMRXWPGUEPQCGD-UHFFFAOYSA-N 1 2 384.408 3.365 20 5 GGBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000266508722 1434345111 /nfs/dbraw/zinc/34/51/11/1434345111.db2.gz MLLFKAKGJYRSGK-UHFFFAOYSA-N 1 2 383.452 3.022 20 5 GGBDLO Cn1cc([C@H]2C[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000267626924 1434450973 /nfs/dbraw/zinc/45/09/73/1434450973.db2.gz RRVCLXJZDXTJHT-HXUWFJFHSA-N 1 2 375.428 3.253 20 5 GGBDLO Cn1cc([C@H]2C[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000267626924 1434450974 /nfs/dbraw/zinc/45/09/74/1434450974.db2.gz RRVCLXJZDXTJHT-HXUWFJFHSA-N 1 2 375.428 3.253 20 5 GGBDLO Cc1ccc([C@@H](C)NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000267914361 1434476547 /nfs/dbraw/zinc/47/65/47/1434476547.db2.gz WBMKGKUWJRFDOW-MRXNPFEDSA-N 1 2 383.448 3.226 20 5 GGBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268188763 1434500726 /nfs/dbraw/zinc/50/07/26/1434500726.db2.gz RWDOOYBYLFRCHT-UHFFFAOYSA-N 1 2 389.843 3.243 20 5 GGBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000269197647 1434605938 /nfs/dbraw/zinc/60/59/38/1434605938.db2.gz SADXZBCMVBQLCL-UHFFFAOYSA-N 1 2 380.404 3.161 20 5 GGBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269340021 1434627301 /nfs/dbraw/zinc/62/73/01/1434627301.db2.gz VLDPYNUHRWRGGC-UHFFFAOYSA-N 1 2 382.376 3.133 20 5 GGBDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2c([N+](=O)[O-])ncn2C)cc1 ZINC000269381140 1434635030 /nfs/dbraw/zinc/63/50/30/1434635030.db2.gz SEVGFJSFABSMFG-UHFFFAOYSA-N 1 2 384.440 3.020 20 5 GGBDLO Cc1c(CC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000269657448 1434667170 /nfs/dbraw/zinc/66/71/70/1434667170.db2.gz FPAXKCIXLODLTP-MRXNPFEDSA-N 1 2 383.448 3.478 20 5 GGBDLO COc1cc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)ccc1O ZINC000270613068 1434750627 /nfs/dbraw/zinc/75/06/27/1434750627.db2.gz MKYVHBFKDATVLU-UHFFFAOYSA-N 1 2 386.404 3.340 20 5 GGBDLO COc1cc(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)ccc1O ZINC000270613068 1434750630 /nfs/dbraw/zinc/75/06/30/1434750630.db2.gz MKYVHBFKDATVLU-UHFFFAOYSA-N 1 2 386.404 3.340 20 5 GGBDLO COc1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000271161124 1434805395 /nfs/dbraw/zinc/80/53/95/1434805395.db2.gz PWJHOZSLJNEKRF-UHFFFAOYSA-N 1 2 380.441 3.166 20 5 GGBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc2c(c1)CC(=O)N2C ZINC000271855294 1434854978 /nfs/dbraw/zinc/85/49/78/1434854978.db2.gz SCIHIZHLQZOVIC-LBPRGKRZSA-N 1 2 393.403 3.015 20 5 GGBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc2c(c1)CC(=O)N2C ZINC000271856994 1434855214 /nfs/dbraw/zinc/85/52/14/1434855214.db2.gz SPWOLMLAPVGLIS-LBPRGKRZSA-N 1 2 393.403 3.015 20 5 GGBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)C1 ZINC000272355328 1434889992 /nfs/dbraw/zinc/88/99/92/1434889992.db2.gz AUTWJFOWKIMKKY-ZDUSSCGKSA-N 1 2 386.330 3.445 20 5 GGBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)C1 ZINC000272355328 1434889993 /nfs/dbraw/zinc/88/99/93/1434889993.db2.gz AUTWJFOWKIMKKY-ZDUSSCGKSA-N 1 2 386.330 3.445 20 5 GGBDLO Cn1ccnc1[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000272514101 1434902709 /nfs/dbraw/zinc/90/27/09/1434902709.db2.gz JSLDALLACAALJN-LJQANCHMSA-N 1 2 397.504 3.127 20 5 GGBDLO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000272522359 1434904008 /nfs/dbraw/zinc/90/40/08/1434904008.db2.gz YLXMFAUSAGAACW-UHFFFAOYSA-N 1 2 397.334 3.445 20 5 GGBDLO COc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000272637279 1434918213 /nfs/dbraw/zinc/91/82/13/1434918213.db2.gz LFJPBBAAGNWFAL-SFHVURJKSA-N 1 2 396.403 3.227 20 5 GGBDLO COc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1[N+](=O)[O-] ZINC000272637279 1434918216 /nfs/dbraw/zinc/91/82/16/1434918216.db2.gz LFJPBBAAGNWFAL-SFHVURJKSA-N 1 2 396.403 3.227 20 5 GGBDLO CC(C)c1[nH]nc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1[N+](=O)[O-] ZINC000272681261 1434922216 /nfs/dbraw/zinc/92/22/16/1434922216.db2.gz RZGWFAQPLDBXCR-AWEZNQCLSA-N 1 2 398.423 3.065 20 5 GGBDLO CC(C)c1[nH]nc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1[N+](=O)[O-] ZINC000272681261 1434922219 /nfs/dbraw/zinc/92/22/19/1434922219.db2.gz RZGWFAQPLDBXCR-AWEZNQCLSA-N 1 2 398.423 3.065 20 5 GGBDLO Cc1ccnc(OC2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000272944209 1434942836 /nfs/dbraw/zinc/94/28/36/1434942836.db2.gz LLZKYMVRTAXSCJ-UHFFFAOYSA-N 1 2 385.420 3.208 20 5 GGBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000273134798 1434965172 /nfs/dbraw/zinc/96/51/72/1434965172.db2.gz COCSYCLODXNZEX-WOJBJXKFSA-N 1 2 380.448 3.001 20 5 GGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000276898350 1435241289 /nfs/dbraw/zinc/24/12/89/1435241289.db2.gz DSRDUOCITGAJFQ-CQSZACIVSA-N 1 2 385.420 3.249 20 5 GGBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000277712070 1435323863 /nfs/dbraw/zinc/32/38/63/1435323863.db2.gz OYWZMMFMQWJDQO-UHFFFAOYSA-N 1 2 387.411 3.435 20 5 GGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3ncccc3F)CC2)c2c(c1)COCO2 ZINC000278035358 1435352507 /nfs/dbraw/zinc/35/25/07/1435352507.db2.gz BSXZIEFKCSUOFX-UHFFFAOYSA-N 1 2 389.383 3.039 20 5 GGBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1N1CCCC1 ZINC000278120177 1435361520 /nfs/dbraw/zinc/36/15/20/1435361520.db2.gz QHJWWJNJXAIEQF-MAUKXSAKSA-N 1 2 399.451 3.171 20 5 GGBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1N1CCCC1 ZINC000278120177 1435361522 /nfs/dbraw/zinc/36/15/22/1435361522.db2.gz QHJWWJNJXAIEQF-MAUKXSAKSA-N 1 2 399.451 3.171 20 5 GGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Oc4ncccc4F)CC3)o2)cc1 ZINC000278341877 1435381713 /nfs/dbraw/zinc/38/17/13/1435381713.db2.gz PLSKILJWJFEAIZ-UHFFFAOYSA-N 1 2 399.382 3.222 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278418125 1435389407 /nfs/dbraw/zinc/38/94/07/1435389407.db2.gz REFXIBSCYUGZQC-TVQRCGJNSA-N 1 2 384.301 3.331 20 5 GGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278418125 1435389409 /nfs/dbraw/zinc/38/94/09/1435389409.db2.gz REFXIBSCYUGZQC-TVQRCGJNSA-N 1 2 384.301 3.331 20 5 GGBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278863869 1435432852 /nfs/dbraw/zinc/43/28/52/1435432852.db2.gz FCIDABAIASLPBZ-GFCCVEGCSA-N 1 2 397.357 3.426 20 5 GGBDLO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278863872 1435432950 /nfs/dbraw/zinc/43/29/50/1435432950.db2.gz FCIDABAIASLPBZ-LBPRGKRZSA-N 1 2 397.357 3.426 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c2c(c1)COCO2 ZINC000278957778 1435445374 /nfs/dbraw/zinc/44/53/74/1435445374.db2.gz ZQTFMFSJCGLFOP-INIZCTEOSA-N 1 2 389.383 3.039 20 5 GGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c2c(c1)COCO2 ZINC000278957778 1435445377 /nfs/dbraw/zinc/44/53/77/1435445377.db2.gz ZQTFMFSJCGLFOP-INIZCTEOSA-N 1 2 389.383 3.039 20 5 GGBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279051486 1435455757 /nfs/dbraw/zinc/45/57/57/1435455757.db2.gz YKRODRJQWCPCPD-QGZVFWFLSA-N 1 2 377.828 3.167 20 5 GGBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279051486 1435455759 /nfs/dbraw/zinc/45/57/59/1435455759.db2.gz YKRODRJQWCPCPD-QGZVFWFLSA-N 1 2 377.828 3.167 20 5 GGBDLO C[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000279360071 1435491012 /nfs/dbraw/zinc/49/10/12/1435491012.db2.gz SPPOLRTYYVVPCD-ZBEGNZNMSA-N 1 2 380.807 3.236 20 5 GGBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279478756 1435503556 /nfs/dbraw/zinc/50/35/56/1435503556.db2.gz HIXOUWPRWWZTHP-UHFFFAOYSA-N 1 2 394.435 3.024 20 5 GGBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000280153100 1435600442 /nfs/dbraw/zinc/60/04/42/1435600442.db2.gz XJEUXIFRNAPXEB-UHFFFAOYSA-N 1 2 397.479 3.259 20 5 GGBDLO C[C@H](C(=O)OC(C)(C)C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000280447397 1435662644 /nfs/dbraw/zinc/66/26/44/1435662644.db2.gz DBTDNJPSKNGMOK-NSHDSACASA-N 1 2 385.380 3.276 20 5 GGBDLO C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC2(CCOCC2)O1 ZINC000280467681 1435665811 /nfs/dbraw/zinc/66/58/11/1435665811.db2.gz MVDMLAANUQAOQR-CQSZACIVSA-N 1 2 389.477 3.488 20 5 GGBDLO C[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC2(CCOCC2)O1 ZINC000280467681 1435665812 /nfs/dbraw/zinc/66/58/12/1435665812.db2.gz MVDMLAANUQAOQR-CQSZACIVSA-N 1 2 389.477 3.488 20 5 GGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280820705 1435726265 /nfs/dbraw/zinc/72/62/65/1435726265.db2.gz NGPYSRIVXBRJLS-IFXJQAMLSA-N 1 2 392.477 3.176 20 5 GGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281650491 1435817056 /nfs/dbraw/zinc/81/70/56/1435817056.db2.gz RTWJFYBZLWHVFV-UHFFFAOYSA-N 1 2 388.468 3.370 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000281882649 1435825404 /nfs/dbraw/zinc/82/54/04/1435825404.db2.gz GLAUUKFXHKNHME-HNNXBMFYSA-N 1 2 399.451 3.299 20 5 GGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000281882653 1435825441 /nfs/dbraw/zinc/82/54/41/1435825441.db2.gz GLAUUKFXHKNHME-OAHLLOKOSA-N 1 2 399.451 3.299 20 5 GGBDLO Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000282578462 1435852293 /nfs/dbraw/zinc/85/22/93/1435852293.db2.gz VVCWYPBVWNFRNE-ACJLOTCBSA-N 1 2 380.441 3.306 20 5 GGBDLO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000283017813 1435870623 /nfs/dbraw/zinc/87/06/23/1435870623.db2.gz LXZWUGFGJJWLAM-WOJBJXKFSA-N 1 2 380.448 3.358 20 5 GGBDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283444096 1435890126 /nfs/dbraw/zinc/89/01/26/1435890126.db2.gz HAZIWXFVTPNOGO-UHFFFAOYSA-N 1 2 396.440 3.038 20 5 GGBDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283444096 1435890127 /nfs/dbraw/zinc/89/01/27/1435890127.db2.gz HAZIWXFVTPNOGO-UHFFFAOYSA-N 1 2 396.440 3.038 20 5 GGBDLO C[C@]12CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000284559368 1436030169 /nfs/dbraw/zinc/03/01/69/1436030169.db2.gz QHTPEBQZOFUYRE-ZBFHGGJFSA-N 1 2 395.246 3.436 20 5 GGBDLO C[C@@]12CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@@H]1C2(Cl)Cl ZINC000284557461 1436030198 /nfs/dbraw/zinc/03/01/98/1436030198.db2.gz QHTPEBQZOFUYRE-GOEBONIOSA-N 1 2 395.246 3.436 20 5 GGBDLO O=[N+]([O-])c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164668997 719493489 /nfs/dbraw/zinc/49/34/89/719493489.db2.gz SGQMWORYAFPRIG-UHFFFAOYSA-N 1 2 386.427 3.000 20 5 GGBDLO O=[N+]([O-])c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164668997 719493494 /nfs/dbraw/zinc/49/34/94/719493494.db2.gz SGQMWORYAFPRIG-UHFFFAOYSA-N 1 2 386.427 3.000 20 5 GGBDLO