smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000009156035 204301216 /nfs/dbraw/zinc/30/12/16/204301216.db2.gz LPCHAMIIUOFQKK-AWEZNQCLSA-N 1 2 393.440 3.415 10 5 GGBELO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000009156035 204301220 /nfs/dbraw/zinc/30/12/20/204301220.db2.gz LPCHAMIIUOFQKK-AWEZNQCLSA-N 1 2 393.440 3.415 10 5 GGBELO CC1CC[NH+]([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000036067091 205003652 /nfs/dbraw/zinc/00/36/52/205003652.db2.gz GSNUGPKLNMXGPY-IBGZPJMESA-N 1 2 389.452 3.155 10 5 GGBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000040153694 205060045 /nfs/dbraw/zinc/06/00/45/205060045.db2.gz IYKIKJKJAKNLOC-MJGOQNOKSA-N 1 2 392.839 3.061 10 5 GGBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000040153694 205060047 /nfs/dbraw/zinc/06/00/47/205060047.db2.gz IYKIKJKJAKNLOC-MJGOQNOKSA-N 1 2 392.839 3.061 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000225384970 206045430 /nfs/dbraw/zinc/04/54/30/206045430.db2.gz DURNGRGZAUNRDK-DYESRHJHSA-N 1 2 394.475 3.079 10 5 GGBELO CC[NH+]1CCN(C(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)CC1 ZINC000058056202 521671199 /nfs/dbraw/zinc/67/11/99/521671199.db2.gz UYDQWKGNQWQLMD-UHFFFAOYSA-N 1 2 399.476 3.057 10 5 GGBELO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000119722915 564285214 /nfs/dbraw/zinc/28/52/14/564285214.db2.gz OQJKCERKSNEOHA-UHFFFAOYSA-N 1 2 388.225 3.432 10 5 GGBELO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000121447537 564369690 /nfs/dbraw/zinc/36/96/90/564369690.db2.gz AGBJUPVJJWPLRN-CYBMUJFWSA-N 1 2 384.845 3.196 10 5 GGBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121908164 564392176 /nfs/dbraw/zinc/39/21/76/564392176.db2.gz UKZMQZCEVFTAOY-UHFFFAOYSA-N 1 2 381.230 3.140 10 5 GGBELO Cc1c(Br)cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000133230690 564766500 /nfs/dbraw/zinc/76/65/00/564766500.db2.gz BMDURZRUSSJQRJ-CYBMUJFWSA-N 1 2 393.241 3.167 10 5 GGBELO CC(C)n1cc[nH+]c1CS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000153879754 565015094 /nfs/dbraw/zinc/01/50/94/565015094.db2.gz FMFKNNFHNHAYAW-UHFFFAOYSA-N 1 2 388.243 3.109 10 5 GGBELO COc1cc(C[NH2+][C@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC000184397126 565133407 /nfs/dbraw/zinc/13/34/07/565133407.db2.gz WVWJZQCVDCKCTE-CQSZACIVSA-N 1 2 399.216 3.328 10 5 GGBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000371308364 565185644 /nfs/dbraw/zinc/18/56/44/565185644.db2.gz NRUCBDVDHLTGJG-MRVPVSSYSA-N 1 2 399.632 3.021 10 5 GGBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000371308364 565185647 /nfs/dbraw/zinc/18/56/47/565185647.db2.gz NRUCBDVDHLTGJG-MRVPVSSYSA-N 1 2 399.632 3.021 10 5 GGBELO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301521037 565492122 /nfs/dbraw/zinc/49/21/22/565492122.db2.gz GXBYUEUFSMACOL-ZDUSSCGKSA-N 1 2 391.269 3.463 10 5 GGBELO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301521037 565492125 /nfs/dbraw/zinc/49/21/25/565492125.db2.gz GXBYUEUFSMACOL-ZDUSSCGKSA-N 1 2 391.269 3.463 10 5 GGBELO O=[N+]([O-])c1cc(Br)cnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301691804 565504381 /nfs/dbraw/zinc/50/43/81/565504381.db2.gz NYGHYVFHEMNBQW-UHFFFAOYSA-N 1 2 378.230 3.228 10 5 GGBELO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1n1cc[nH+]c1 ZINC000192366651 565683587 /nfs/dbraw/zinc/68/35/87/565683587.db2.gz CVSDWMLIBBQCDC-FZMZJTMJSA-N 1 2 393.241 3.277 10 5 GGBELO Cn1nccc1C1=CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000285505732 565911972 /nfs/dbraw/zinc/91/19/72/565911972.db2.gz FPSSBLXLZBBRMT-UHFFFAOYSA-N 1 2 377.242 3.380 10 5 GGBELO Cn1nccc1C1=CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000285505732 565911977 /nfs/dbraw/zinc/91/19/77/565911977.db2.gz FPSSBLXLZBBRMT-UHFFFAOYSA-N 1 2 377.242 3.380 10 5 GGBELO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000180121582 566034361 /nfs/dbraw/zinc/03/43/61/566034361.db2.gz LIZJJBJWKKYHMV-LLVKDONJSA-N 1 2 384.845 3.196 10 5 GGBELO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000366933392 566176461 /nfs/dbraw/zinc/17/64/61/566176461.db2.gz LGZWQVBTGPITGC-UHFFFAOYSA-N 1 2 393.241 3.409 10 5 GGBELO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000366933392 566176464 /nfs/dbraw/zinc/17/64/64/566176464.db2.gz LGZWQVBTGPITGC-UHFFFAOYSA-N 1 2 393.241 3.409 10 5 GGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000183326002 566244254 /nfs/dbraw/zinc/24/42/54/566244254.db2.gz LSOXFUUWZJHGDS-UHFFFAOYSA-N 1 2 393.241 3.131 10 5 GGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000183326002 566244257 /nfs/dbraw/zinc/24/42/57/566244257.db2.gz LSOXFUUWZJHGDS-UHFFFAOYSA-N 1 2 393.241 3.131 10 5 GGBELO Cc1cc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c([N+](=O)[O-])s1 ZINC000601964015 566434207 /nfs/dbraw/zinc/43/42/07/566434207.db2.gz WMRUNPMBLGXGKN-UHFFFAOYSA-N 1 2 381.357 3.117 10 5 GGBELO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000538138024 566495353 /nfs/dbraw/zinc/49/53/53/566495353.db2.gz MWUFLBXBGMQFSH-BMIGLBTASA-N 1 2 378.226 3.235 10 5 GGBELO O=[N+]([O-])c1cc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)cs1 ZINC000609564483 566771308 /nfs/dbraw/zinc/77/13/08/566771308.db2.gz YZQOJTWPCQPVMX-INIZCTEOSA-N 1 2 381.885 3.161 10 5 GGBELO Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000427782915 566797563 /nfs/dbraw/zinc/79/75/63/566797563.db2.gz LJOFOOHZPNBZMH-UHFFFAOYSA-N 1 2 381.841 3.303 10 5 GGBELO Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000427782915 566797565 /nfs/dbraw/zinc/79/75/65/566797565.db2.gz LJOFOOHZPNBZMH-UHFFFAOYSA-N 1 2 381.841 3.303 10 5 GGBELO Cc1cn2cc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000610032137 566800318 /nfs/dbraw/zinc/80/03/18/566800318.db2.gz DVGRVORAESEPJV-UHFFFAOYSA-N 1 2 380.813 3.314 10 5 GGBELO Cc1c(Br)c(NCc2[nH+]ccn2CC(F)(F)F)ncc1[N+](=O)[O-] ZINC000542506987 566806782 /nfs/dbraw/zinc/80/67/82/566806782.db2.gz VDCURDVAGLTLGZ-UHFFFAOYSA-N 1 2 394.151 3.432 10 5 GGBELO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000610808767 566866730 /nfs/dbraw/zinc/86/67/30/566866730.db2.gz AYNUVVYDVMBDFE-UHFFFAOYSA-N 1 2 377.242 3.075 10 5 GGBELO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000610808783 566866957 /nfs/dbraw/zinc/86/69/57/566866957.db2.gz NLRMMSYFJNKAGV-UHFFFAOYSA-N 1 2 377.242 3.075 10 5 GGBELO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612286192 566963029 /nfs/dbraw/zinc/96/30/29/566963029.db2.gz DQTBSKUTAUHYHC-ZDUSSCGKSA-N 1 2 380.857 3.401 10 5 GGBELO O=[N+]([O-])c1cc(C[N@H+](CCO)Cc2cc(Br)cs2)cs1 ZINC000494253777 566978357 /nfs/dbraw/zinc/97/83/57/566978357.db2.gz KOUORZUWWJSBPP-UHFFFAOYSA-N 1 2 377.285 3.475 10 5 GGBELO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2cc(Br)cs2)cs1 ZINC000494253777 566978363 /nfs/dbraw/zinc/97/83/63/566978363.db2.gz KOUORZUWWJSBPP-UHFFFAOYSA-N 1 2 377.285 3.475 10 5 GGBELO CCOc1cc(C[NH2+][C@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000432986635 567212513 /nfs/dbraw/zinc/21/25/13/567212513.db2.gz AUCOGOGSKROREP-SNVBAGLBSA-N 1 2 381.230 3.397 10 5 GGBELO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455397648 567270847 /nfs/dbraw/zinc/27/08/47/567270847.db2.gz GLHHAXQZMFDVOE-PRHODGIISA-N 1 2 380.202 3.381 10 5 GGBELO C[N@@H+]1CCO[C@H](CSc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000591953174 567305373 /nfs/dbraw/zinc/30/53/73/567305373.db2.gz FOJMQJJBNZIPGH-QMMMGPOBSA-N 1 2 387.330 3.067 10 5 GGBELO C[N@H+]1CCO[C@H](CSc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000591953174 567305379 /nfs/dbraw/zinc/30/53/79/567305379.db2.gz FOJMQJJBNZIPGH-QMMMGPOBSA-N 1 2 387.330 3.067 10 5 GGBELO Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)cc1[N+](=O)[O-] ZINC000435176802 567345641 /nfs/dbraw/zinc/34/56/41/567345641.db2.gz KICPLOPKIVJERU-UHFFFAOYSA-N 1 2 380.813 3.244 10 5 GGBELO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501104580 567364732 /nfs/dbraw/zinc/36/47/32/567364732.db2.gz GJVJBKCANXNJEZ-UHFFFAOYSA-N 1 2 390.197 3.327 10 5 GGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1 ZINC000593029822 567379943 /nfs/dbraw/zinc/37/99/43/567379943.db2.gz YFFUSFWMJZDFCG-JTQLQIEISA-N 1 2 394.225 3.390 10 5 GGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000549610445 567402058 /nfs/dbraw/zinc/40/20/58/567402058.db2.gz MFPCDLBIFVBEHK-UHFFFAOYSA-N 1 2 387.255 3.119 10 5 GGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000549610445 567402064 /nfs/dbraw/zinc/40/20/64/567402064.db2.gz MFPCDLBIFVBEHK-UHFFFAOYSA-N 1 2 387.255 3.119 10 5 GGBELO C[NH+](C)Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Br ZINC000552187487 567565947 /nfs/dbraw/zinc/56/59/47/567565947.db2.gz ZVHKUMQWFNWKCR-UHFFFAOYSA-N 1 2 394.225 3.377 10 5 GGBELO Cc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1[N+](=O)[O-] ZINC000506192181 567614099 /nfs/dbraw/zinc/61/40/99/567614099.db2.gz UINPZENKUPZLQH-UHFFFAOYSA-N 1 2 391.269 3.383 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012846603 570265210 /nfs/dbraw/zinc/26/52/10/570265210.db2.gz DCYOIZABNOOFMO-CABCVRRESA-N 1 2 396.447 3.352 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000012846603 570265212 /nfs/dbraw/zinc/26/52/12/570265212.db2.gz DCYOIZABNOOFMO-CABCVRRESA-N 1 2 396.447 3.352 10 5 GGBELO Cc1c(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000012876479 570275155 /nfs/dbraw/zinc/27/51/55/570275155.db2.gz ZIVQDMKJDJGTNS-UHFFFAOYSA-N 1 2 396.447 3.192 10 5 GGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000095446794 1410311398 /nfs/dbraw/zinc/31/13/98/1410311398.db2.gz IXDSUYJKFPGFEN-CYBMUJFWSA-N 1 2 382.424 3.299 10 5 GGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000095446794 1410311404 /nfs/dbraw/zinc/31/14/04/1410311404.db2.gz IXDSUYJKFPGFEN-CYBMUJFWSA-N 1 2 382.424 3.299 10 5 GGBELO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124689799 1415022587 /nfs/dbraw/zinc/02/25/87/1415022587.db2.gz APPJMMUPAFIVAC-UHFFFAOYSA-N 1 2 391.497 3.325 10 5 GGBELO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124689799 1415022593 /nfs/dbraw/zinc/02/25/93/1415022593.db2.gz APPJMMUPAFIVAC-UHFFFAOYSA-N 1 2 391.497 3.325 10 5 GGBELO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1SC ZINC000125667421 1415249611 /nfs/dbraw/zinc/24/96/11/1415249611.db2.gz HFLZUGUKQURDDY-SWLSCSKDSA-N 1 2 390.465 3.245 10 5 GGBELO O=C1C[C@H]([NH+]2CCC(c3ccsc3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000185936308 1431286075 /nfs/dbraw/zinc/28/60/75/1431286075.db2.gz BGRKNQUVGPYNTH-KRWDZBQOSA-N 1 2 385.445 3.168 10 5 GGBELO C[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000272347882 1434889180 /nfs/dbraw/zinc/88/91/80/1434889180.db2.gz COCUMPLXNGKLBX-DYVFJYSZSA-N 1 2 391.859 3.280 10 5 GGBELO C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000272347885 1434889401 /nfs/dbraw/zinc/88/94/01/1434889401.db2.gz COCUMPLXNGKLBX-GUYCJALGSA-N 1 2 391.859 3.280 10 5 GGBELO Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C(C)C)c(C)[nH+]1 ZINC000000697444 206318289 /nfs/dbraw/zinc/31/82/89/206318289.db2.gz PSLMPNUSEXWFKV-UHFFFAOYSA-N 1 2 383.452 3.087 10 5 GGBELO C[NH+]1CCN(C(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000020663561 207208951 /nfs/dbraw/zinc/20/89/51/207208951.db2.gz GPUJCRDRVGYYFM-UHFFFAOYSA-N 1 2 375.425 3.273 10 5 GGBELO Cc1cc(N(CCCO)Cc2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000095428368 208181007 /nfs/dbraw/zinc/18/10/07/208181007.db2.gz WKOURWOOBZKMCJ-UHFFFAOYSA-N 1 2 379.420 3.144 10 5 GGBELO Cc1c(Br)cc(C(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000125144198 564504586 /nfs/dbraw/zinc/50/45/86/564504586.db2.gz SXLLMPKYKAHPLB-UHFFFAOYSA-N 1 2 395.257 3.448 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000048375078 564538590 /nfs/dbraw/zinc/53/85/90/564538590.db2.gz LPIWRYAUTKPBJX-GFCCVEGCSA-N 1 2 392.257 3.031 10 5 GGBELO COc1cc(C[N@@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131362896 564709639 /nfs/dbraw/zinc/70/96/39/564709639.db2.gz HVVZJJGOWNCXQR-SNVBAGLBSA-N 1 2 380.388 3.482 10 5 GGBELO COc1cc(C[N@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131362896 564709641 /nfs/dbraw/zinc/70/96/41/564709641.db2.gz HVVZJJGOWNCXQR-SNVBAGLBSA-N 1 2 380.388 3.482 10 5 GGBELO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)s1 ZINC000132324224 564740324 /nfs/dbraw/zinc/74/03/24/564740324.db2.gz OGRBWLMZUSBZGN-UHFFFAOYSA-N 1 2 381.479 3.095 10 5 GGBELO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267952347 565135768 /nfs/dbraw/zinc/13/57/68/565135768.db2.gz WTSRKKAWXGLEDX-UHFFFAOYSA-N 1 2 397.204 3.239 10 5 GGBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000371308365 565186509 /nfs/dbraw/zinc/18/65/09/565186509.db2.gz NRUCBDVDHLTGJG-QMMMGPOBSA-N 1 2 399.632 3.021 10 5 GGBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000371308365 565186511 /nfs/dbraw/zinc/18/65/11/565186511.db2.gz NRUCBDVDHLTGJG-QMMMGPOBSA-N 1 2 399.632 3.021 10 5 GGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000161667545 565290435 /nfs/dbraw/zinc/29/04/35/565290435.db2.gz NCSDRZCIEKRFBC-UHFFFAOYSA-N 1 2 388.225 3.187 10 5 GGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000161667545 565290441 /nfs/dbraw/zinc/29/04/41/565290441.db2.gz NCSDRZCIEKRFBC-UHFFFAOYSA-N 1 2 388.225 3.187 10 5 GGBELO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000375522993 565393556 /nfs/dbraw/zinc/39/35/56/565393556.db2.gz JOWPWICTUALOKH-SNVBAGLBSA-N 1 2 394.229 3.492 10 5 GGBELO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000375522983 565393598 /nfs/dbraw/zinc/39/35/98/565393598.db2.gz JOWPWICTUALOKH-JTQLQIEISA-N 1 2 394.229 3.492 10 5 GGBELO CN(C)c1[nH+]cccc1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000301067602 565463088 /nfs/dbraw/zinc/46/30/88/565463088.db2.gz CDSOBVRDTAORET-UHFFFAOYSA-N 1 2 398.204 3.273 10 5 GGBELO O=[N+]([O-])c1cncc(Br)c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301847598 565514266 /nfs/dbraw/zinc/51/42/66/565514266.db2.gz VANLEQGFYBMPIU-UHFFFAOYSA-N 1 2 378.230 3.228 10 5 GGBELO Cn1ncc(Br)c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278876099 565582952 /nfs/dbraw/zinc/58/29/52/565582952.db2.gz ZBZHLMCQOJGWLQ-UHFFFAOYSA-N 1 2 393.163 3.399 10 5 GGBELO Cc1c(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000280813378 565698178 /nfs/dbraw/zinc/69/81/78/565698178.db2.gz SQPPAUKELRTZCC-SECBINFHSA-N 1 2 382.218 3.072 10 5 GGBELO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000180121600 566034008 /nfs/dbraw/zinc/03/40/08/566034008.db2.gz LIZJJBJWKKYHMV-NSHDSACASA-N 1 2 384.845 3.196 10 5 GGBELO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364659803 566062230 /nfs/dbraw/zinc/06/22/30/566062230.db2.gz PYKFLDFOYBNVEG-UHFFFAOYSA-N 1 2 380.857 3.470 10 5 GGBELO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364659803 566062236 /nfs/dbraw/zinc/06/22/36/566062236.db2.gz PYKFLDFOYBNVEG-UHFFFAOYSA-N 1 2 380.857 3.470 10 5 GGBELO Cc1c(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000367977486 566226644 /nfs/dbraw/zinc/22/66/44/566226644.db2.gz QHSOZLDIAGYKFI-SNVBAGLBSA-N 1 2 394.229 3.068 10 5 GGBELO Cc1c(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000367977486 566226648 /nfs/dbraw/zinc/22/66/48/566226648.db2.gz QHSOZLDIAGYKFI-SNVBAGLBSA-N 1 2 394.229 3.068 10 5 GGBELO CN(C)c1[nH+]cccc1N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183034112 566235925 /nfs/dbraw/zinc/23/59/25/566235925.db2.gz QMKCFRFFTFMCBQ-UHFFFAOYSA-N 1 2 380.857 3.464 10 5 GGBELO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000183464052 566247528 /nfs/dbraw/zinc/24/75/28/566247528.db2.gz WSMAESAHWNJMIP-CYBMUJFWSA-N 1 2 380.857 3.228 10 5 GGBELO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1Cl ZINC000481885242 566261215 /nfs/dbraw/zinc/26/12/15/566261215.db2.gz GEMSQDKMMYHBIA-UHFFFAOYSA-N 1 2 375.859 3.172 10 5 GGBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000599915981 566303460 /nfs/dbraw/zinc/30/34/60/566303460.db2.gz AJOWKLOMTFGSCG-JTQLQIEISA-N 1 2 379.214 3.063 10 5 GGBELO CCn1c2ccc(F)cc2[nH+]c1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000446563198 566356045 /nfs/dbraw/zinc/35/60/45/566356045.db2.gz FNGSENPPNDUDMA-UHFFFAOYSA-N 1 2 395.188 3.076 10 5 GGBELO C[C@](CO)([NH2+]Cc1cc(O)ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148883 566393936 /nfs/dbraw/zinc/39/39/36/566393936.db2.gz HFXIKRSVGMODOL-MRXNPFEDSA-N 1 2 381.226 3.060 10 5 GGBELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425403298 566640158 /nfs/dbraw/zinc/64/01/58/566640158.db2.gz UENRULATYVDLOX-AWEZNQCLSA-N 1 2 384.274 3.190 10 5 GGBELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425403298 566640162 /nfs/dbraw/zinc/64/01/62/566640162.db2.gz UENRULATYVDLOX-AWEZNQCLSA-N 1 2 384.274 3.190 10 5 GGBELO Cn1nccc1C1=CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425463132 566645405 /nfs/dbraw/zinc/64/54/05/566645405.db2.gz XLONINAMGVFBAN-UHFFFAOYSA-N 1 2 377.242 3.380 10 5 GGBELO Cn1nccc1C1=CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425463132 566645413 /nfs/dbraw/zinc/64/54/13/566645413.db2.gz XLONINAMGVFBAN-UHFFFAOYSA-N 1 2 377.242 3.380 10 5 GGBELO Cc1c(Br)c(NCc2cn3cc(Cl)ccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000542506456 566807500 /nfs/dbraw/zinc/80/75/00/566807500.db2.gz LJBLNEGHSZYFDL-UHFFFAOYSA-N 1 2 396.632 3.396 10 5 GGBELO O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc2[nH+]ccn2c1 ZINC000610667294 566852827 /nfs/dbraw/zinc/85/28/27/566852827.db2.gz KKZYNZGWFFQXHT-UHFFFAOYSA-N 1 2 375.182 3.186 10 5 GGBELO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c(F)c1 ZINC000491064039 566892107 /nfs/dbraw/zinc/89/21/07/566892107.db2.gz FXQCSXXGPOBQBU-UHFFFAOYSA-N 1 2 395.232 3.214 10 5 GGBELO C[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CCS1 ZINC000563653748 566903522 /nfs/dbraw/zinc/90/35/22/566903522.db2.gz BSZYQHYATYLPLT-SECBINFHSA-N 1 2 378.235 3.137 10 5 GGBELO C[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CCS1 ZINC000563653748 566903528 /nfs/dbraw/zinc/90/35/28/566903528.db2.gz BSZYQHYATYLPLT-SECBINFHSA-N 1 2 378.235 3.137 10 5 GGBELO CCOc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000453311301 567074798 /nfs/dbraw/zinc/07/47/98/567074798.db2.gz SKINAFYBGXFPKA-JTQLQIEISA-N 1 2 383.246 3.340 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000589258222 567170324 /nfs/dbraw/zinc/17/03/24/567170324.db2.gz VIWSOMSYUHWHQF-SECBINFHSA-N 1 2 382.148 3.286 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000589258222 567170325 /nfs/dbraw/zinc/17/03/25/567170325.db2.gz VIWSOMSYUHWHQF-SECBINFHSA-N 1 2 382.148 3.286 10 5 GGBELO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000566999687 567209986 /nfs/dbraw/zinc/20/99/86/567209986.db2.gz QVLJTLSXHKDWBG-UHFFFAOYSA-N 1 2 378.186 3.040 10 5 GGBELO CO[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000567032436 567212152 /nfs/dbraw/zinc/21/21/52/567212152.db2.gz REVJPPPAYYHIBU-IINYFYTJSA-N 1 2 390.221 3.056 10 5 GGBELO CO[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000567032436 567212159 /nfs/dbraw/zinc/21/21/59/567212159.db2.gz REVJPPPAYYHIBU-IINYFYTJSA-N 1 2 390.221 3.056 10 5 GGBELO CCOc1cc(C[NH2+][C@@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000432986633 567212609 /nfs/dbraw/zinc/21/26/09/567212609.db2.gz AUCOGOGSKROREP-JTQLQIEISA-N 1 2 381.230 3.397 10 5 GGBELO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000501072390 567362234 /nfs/dbraw/zinc/36/22/34/567362234.db2.gz NCTSGFWICRFJNR-UHFFFAOYSA-N 1 2 394.229 3.492 10 5 GGBELO C[C@](CO)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000550098126 567427638 /nfs/dbraw/zinc/42/76/38/567427638.db2.gz ZBWMDSBJSKOJFU-MRXNPFEDSA-N 1 2 381.226 3.060 10 5 GGBELO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Br ZINC000436841419 567455797 /nfs/dbraw/zinc/45/57/97/567455797.db2.gz RTOQHRINELRIHI-UHFFFAOYSA-N 1 2 394.225 3.377 10 5 GGBELO Cc1noc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1[N+](=O)[O-] ZINC000595359144 567557285 /nfs/dbraw/zinc/55/72/85/567557285.db2.gz GYIXNGJVYKJUBH-UHFFFAOYSA-N 1 2 396.241 3.449 10 5 GGBELO C[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595780995 567583091 /nfs/dbraw/zinc/58/30/91/567583091.db2.gz ODIXBDSYJAWYLI-MNOVXSKESA-N 1 2 390.221 3.199 10 5 GGBELO C[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595780995 567583096 /nfs/dbraw/zinc/58/30/96/567583096.db2.gz ODIXBDSYJAWYLI-MNOVXSKESA-N 1 2 390.221 3.199 10 5 GGBELO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH+](CC(F)F)CC1 ZINC000552395443 567587196 /nfs/dbraw/zinc/58/71/96/567587196.db2.gz IFQJMKLLXOGAQK-UHFFFAOYSA-N 1 2 392.200 3.273 10 5 GGBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C(F)F)C2CCCCC2)cc1 ZINC000598648591 567781449 /nfs/dbraw/zinc/78/14/49/567781449.db2.gz GPNFBBUQDJDIEF-OAHLLOKOSA-N 1 2 376.425 3.172 10 5 GGBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C(F)F)C2CCCCC2)cc1 ZINC000598648589 567781512 /nfs/dbraw/zinc/78/15/12/567781512.db2.gz GPNFBBUQDJDIEF-HNNXBMFYSA-N 1 2 376.425 3.172 10 5 GGBELO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444224701 567797879 /nfs/dbraw/zinc/79/78/79/567797879.db2.gz KXFSLNZYICCXPE-LLVKDONJSA-N 1 2 378.479 3.094 10 5 GGBELO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444224701 567797884 /nfs/dbraw/zinc/79/78/84/567797884.db2.gz KXFSLNZYICCXPE-LLVKDONJSA-N 1 2 378.479 3.094 10 5 GGBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCc4nccc(Br)c4C3)nc2c1 ZINC000598945949 567799918 /nfs/dbraw/zinc/79/99/18/567799918.db2.gz MFDATWTWVNWDEV-UHFFFAOYSA-N 1 2 388.225 3.187 10 5 GGBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCc4nccc(Br)c4C3)nc2c1 ZINC000598945949 567799922 /nfs/dbraw/zinc/79/99/22/567799922.db2.gz MFDATWTWVNWDEV-UHFFFAOYSA-N 1 2 388.225 3.187 10 5 GGBELO O=[N+]([O-])c1ccccc1NCCNc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000009220922 1398855358 /nfs/dbraw/zinc/85/53/58/1398855358.db2.gz ITWPDFVXSMUUON-UHFFFAOYSA-N 1 2 393.382 3.387 10 5 GGBELO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000151229845 1417898140 /nfs/dbraw/zinc/89/81/40/1417898140.db2.gz DRRDKRFYLXQUII-XHDPSFHLSA-N 1 2 398.872 3.025 10 5 GGBELO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC001660387350 1126264248 /nfs/dbraw/zinc/26/42/48/1126264248.db2.gz DYBSLOGJWXZDTG-QGZVFWFLSA-N 1 2 395.253 3.146 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012846608 210017470 /nfs/dbraw/zinc/01/74/70/210017470.db2.gz DCYOIZABNOOFMO-GJZGRUSLSA-N 1 2 396.447 3.352 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012846608 210017473 /nfs/dbraw/zinc/01/74/73/210017473.db2.gz DCYOIZABNOOFMO-GJZGRUSLSA-N 1 2 396.447 3.352 10 5 GGBELO COc1cc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000048290849 210849725 /nfs/dbraw/zinc/84/97/25/210849725.db2.gz QHOLMVAAOMEFCV-UHFFFAOYSA-N 1 2 384.436 3.309 10 5 GGBELO C[NH+]1CCN(C(=O)c2ccc(SCc3ccccc3F)c([N+](=O)[O-])c2)CC1 ZINC000020663497 210355338 /nfs/dbraw/zinc/35/53/38/210355338.db2.gz UQBDFCSAAOZAAF-UHFFFAOYSA-N 1 2 389.452 3.414 10 5 GGBELO COc1ccc(Sc2ccc(C(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000020663962 210354806 /nfs/dbraw/zinc/35/48/06/210354806.db2.gz HINQJDVDULYMDO-UHFFFAOYSA-N 1 2 387.461 3.142 10 5 GGBELO O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000003325908 564195213 /nfs/dbraw/zinc/19/52/13/564195213.db2.gz FPBGUSAURBXZAB-UHFFFAOYSA-N 1 2 377.857 3.162 10 5 GGBELO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000119735771 564285803 /nfs/dbraw/zinc/28/58/03/564285803.db2.gz IESFDXKDEDAGLS-UHFFFAOYSA-N 1 2 388.225 3.432 10 5 GGBELO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000124294048 564477627 /nfs/dbraw/zinc/47/76/27/564477627.db2.gz FETYBZXQXUUQJF-NHYWBVRUSA-N 1 2 393.241 3.277 10 5 GGBELO Cc1cccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000065522593 564744042 /nfs/dbraw/zinc/74/40/42/564744042.db2.gz KZDOSNATLGARBJ-UHFFFAOYSA-N 1 2 389.209 3.243 10 5 GGBELO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1 ZINC000101558122 564917647 /nfs/dbraw/zinc/91/76/47/564917647.db2.gz JYEDUYHOFBCVAA-UHFFFAOYSA-N 1 2 377.242 3.075 10 5 GGBELO Cc1c(Br)cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000269971033 565204507 /nfs/dbraw/zinc/20/45/07/565204507.db2.gz KVNOLPHNMQSIHH-UHFFFAOYSA-N 1 2 393.241 3.409 10 5 GGBELO Cc1c(Br)cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000372195881 565225646 /nfs/dbraw/zinc/22/56/46/565225646.db2.gz MDEQWOQGHIMKFI-UHFFFAOYSA-N 1 2 393.241 3.409 10 5 GGBELO Cc1c(Br)cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000372195881 565225650 /nfs/dbraw/zinc/22/56/50/565225650.db2.gz MDEQWOQGHIMKFI-UHFFFAOYSA-N 1 2 393.241 3.409 10 5 GGBELO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375541835 565394777 /nfs/dbraw/zinc/39/47/77/565394777.db2.gz SXRVVCOIVBBWOQ-JTQLQIEISA-N 1 2 394.229 3.112 10 5 GGBELO Cc1cc2c(ncnc2N2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)s1 ZINC000189525394 565471895 /nfs/dbraw/zinc/47/18/95/565471895.db2.gz DGTHTAFSVVIOQG-UHFFFAOYSA-N 1 2 375.479 3.292 10 5 GGBELO NC(=O)c1ccc(C[N@@H+]2CCc3cccc(Br)c3C2)c([N+](=O)[O-])c1 ZINC000172405240 565483952 /nfs/dbraw/zinc/48/39/52/565483952.db2.gz LHFOPOPETOVMRF-UHFFFAOYSA-N 1 2 390.237 3.015 10 5 GGBELO NC(=O)c1ccc(C[N@H+]2CCc3cccc(Br)c3C2)c([N+](=O)[O-])c1 ZINC000172405240 565483954 /nfs/dbraw/zinc/48/39/54/565483954.db2.gz LHFOPOPETOVMRF-UHFFFAOYSA-N 1 2 390.237 3.015 10 5 GGBELO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000302227841 565538106 /nfs/dbraw/zinc/53/81/06/565538106.db2.gz QNFLGKNXBUKKIV-UHFFFAOYSA-N 1 2 382.251 3.056 10 5 GGBELO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1n1cc[nH+]c1 ZINC000192366656 565683568 /nfs/dbraw/zinc/68/35/68/565683568.db2.gz CVSDWMLIBBQCDC-BXUZGUMPSA-N 1 2 393.241 3.277 10 5 GGBELO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3cnccn3)CC2)ccc1Br ZINC000365942252 566127243 /nfs/dbraw/zinc/12/72/43/566127243.db2.gz TYAPFYNDYGEQFW-UHFFFAOYSA-N 1 2 393.241 3.191 10 5 GGBELO CN(C)c1[nH+]cccc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182194542 566189762 /nfs/dbraw/zinc/18/97/62/566189762.db2.gz IAZYSDFEWQYQHX-UHFFFAOYSA-N 1 2 380.857 3.118 10 5 GGBELO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)c2cccc(Br)c2)c(F)c1 ZINC000508993067 566254162 /nfs/dbraw/zinc/25/41/62/566254162.db2.gz WSNOPQPGDJDEMP-HNNXBMFYSA-N 1 2 387.180 3.459 10 5 GGBELO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])nc1 ZINC000599450123 566265448 /nfs/dbraw/zinc/26/54/48/566265448.db2.gz NCSMBBRNYGLNRA-UHFFFAOYSA-N 1 2 394.225 3.171 10 5 GGBELO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])nc1 ZINC000599450123 566265453 /nfs/dbraw/zinc/26/54/53/566265453.db2.gz NCSMBBRNYGLNRA-UHFFFAOYSA-N 1 2 394.225 3.171 10 5 GGBELO Cc1cn2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccc2[nH+]1 ZINC000446148839 566331694 /nfs/dbraw/zinc/33/16/94/566331694.db2.gz GVUSWWMSTZJJEZ-UHFFFAOYSA-N 1 2 389.209 3.495 10 5 GGBELO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000446127871 566332771 /nfs/dbraw/zinc/33/27/71/566332771.db2.gz UAVUEEXYQALOKP-UHFFFAOYSA-N 1 2 393.241 3.029 10 5 GGBELO C[C@@](CO)([NH2+]Cc1cc(O)ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148879 566393758 /nfs/dbraw/zinc/39/37/58/566393758.db2.gz HFXIKRSVGMODOL-INIZCTEOSA-N 1 2 381.226 3.060 10 5 GGBELO C[C@@](CO)([NH2+]Cc1cccc(O)c1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148851 566393787 /nfs/dbraw/zinc/39/37/87/566393787.db2.gz GWPMUQYTQSPWCJ-INIZCTEOSA-N 1 2 381.226 3.060 10 5 GGBELO C[C@@](CO)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000511588703 566475713 /nfs/dbraw/zinc/47/57/13/566475713.db2.gz QIUSWHAXEHKUMA-INIZCTEOSA-N 1 2 383.217 3.494 10 5 GGBELO O=[N+]([O-])c1cnc(NCc2[nH+]ccn2CC(F)(F)F)c(Br)c1 ZINC000485204106 566482818 /nfs/dbraw/zinc/48/28/18/566482818.db2.gz JUHRZJVNEXNWGZ-UHFFFAOYSA-N 1 2 380.124 3.123 10 5 GGBELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425403299 566639011 /nfs/dbraw/zinc/63/90/11/566639011.db2.gz UENRULATYVDLOX-CQSZACIVSA-N 1 2 384.274 3.190 10 5 GGBELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425403299 566639020 /nfs/dbraw/zinc/63/90/20/566639020.db2.gz UENRULATYVDLOX-CQSZACIVSA-N 1 2 384.274 3.190 10 5 GGBELO CCc1nnc(C2CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000425444606 566643138 /nfs/dbraw/zinc/64/31/38/566643138.db2.gz MHQNFICBEVNZSU-UHFFFAOYSA-N 1 2 394.273 3.417 10 5 GGBELO CCc1n[nH]c(C2CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)n1 ZINC000425444606 566643141 /nfs/dbraw/zinc/64/31/41/566643141.db2.gz MHQNFICBEVNZSU-UHFFFAOYSA-N 1 2 394.273 3.417 10 5 GGBELO CCc1nc(C2CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000425444606 566643149 /nfs/dbraw/zinc/64/31/49/566643149.db2.gz MHQNFICBEVNZSU-UHFFFAOYSA-N 1 2 394.273 3.417 10 5 GGBELO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000540337621 566646744 /nfs/dbraw/zinc/64/67/44/566646744.db2.gz JQBUTSXISILDTM-BMIGLBTASA-N 1 2 378.226 3.235 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000425471802 566647172 /nfs/dbraw/zinc/64/71/72/566647172.db2.gz HIPIQCLVHMOIDC-UHFFFAOYSA-N 1 2 393.241 3.191 10 5 GGBELO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cs1 ZINC000492223868 566927858 /nfs/dbraw/zinc/92/78/58/566927858.db2.gz IATQCWOQXQINNO-GFCCVEGCSA-N 1 2 375.219 3.381 10 5 GGBELO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000585808807 567091328 /nfs/dbraw/zinc/09/13/28/567091328.db2.gz WKSKAHXFIJUVCW-ZDUSSCGKSA-N 1 2 394.229 3.423 10 5 GGBELO CO[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000567032435 567212549 /nfs/dbraw/zinc/21/25/49/567212549.db2.gz REVJPPPAYYHIBU-HZMBPMFUSA-N 1 2 390.221 3.056 10 5 GGBELO CO[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000567032435 567212551 /nfs/dbraw/zinc/21/25/51/567212551.db2.gz REVJPPPAYYHIBU-HZMBPMFUSA-N 1 2 390.221 3.056 10 5 GGBELO C[N@@H+]1CCO[C@@H](CSc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000591953172 567305125 /nfs/dbraw/zinc/30/51/25/567305125.db2.gz FOJMQJJBNZIPGH-MRVPVSSYSA-N 1 2 387.330 3.067 10 5 GGBELO C[N@H+]1CCO[C@@H](CSc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000591953172 567305133 /nfs/dbraw/zinc/30/51/33/567305133.db2.gz FOJMQJJBNZIPGH-MRVPVSSYSA-N 1 2 387.330 3.067 10 5 GGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccc(Br)cc1)CC2 ZINC000570366269 567479407 /nfs/dbraw/zinc/47/94/07/567479407.db2.gz WPDMVYOMHDJLIJ-UHFFFAOYSA-N 1 2 378.226 3.189 10 5 GGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccc(Br)cc1)CC2 ZINC000570366269 567479410 /nfs/dbraw/zinc/47/94/10/567479410.db2.gz WPDMVYOMHDJLIJ-UHFFFAOYSA-N 1 2 378.226 3.189 10 5 GGBELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595627124 567575182 /nfs/dbraw/zinc/57/51/82/567575182.db2.gz NCJKLTXWICLIKT-MNOVXSKESA-N 1 2 380.750 3.422 10 5 GGBELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595627124 567575191 /nfs/dbraw/zinc/57/51/91/567575191.db2.gz NCJKLTXWICLIKT-MNOVXSKESA-N 1 2 380.750 3.422 10 5 GGBELO COCCC1(C)C[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000459630955 567644653 /nfs/dbraw/zinc/64/46/53/567644653.db2.gz HJDIRNVYNZIGDS-UHFFFAOYSA-N 1 2 390.221 3.058 10 5 GGBELO O=[N+]([O-])c1ccc(Nc2nc(NC3CCCCC3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000005590629 570665977 /nfs/dbraw/zinc/66/59/77/570665977.db2.gz SCNUEZLRJLDXFE-UHFFFAOYSA-N 1 2 399.455 3.105 10 5 GGBELO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025514812 570756916 /nfs/dbraw/zinc/75/69/16/570756916.db2.gz USPWFJXZYJSGPH-HNAYVOBHSA-N 1 2 384.436 3.178 10 5 GGBELO Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000007050244 570764800 /nfs/dbraw/zinc/76/48/00/570764800.db2.gz BUDDJYQOGCSQKD-CQSZACIVSA-N 1 2 386.433 3.128 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000104239402 570898489 /nfs/dbraw/zinc/89/84/89/570898489.db2.gz DCYOIZABNOOFMO-HUUCEWRRSA-N 1 2 396.447 3.352 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000104239402 570898494 /nfs/dbraw/zinc/89/84/94/570898494.db2.gz DCYOIZABNOOFMO-HUUCEWRRSA-N 1 2 396.447 3.352 10 5 GGBELO O=[N+]([O-])c1ccc(NCCNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000009335634 1398856755 /nfs/dbraw/zinc/85/67/55/1398856755.db2.gz NZTRIFBOPGSEDU-UHFFFAOYSA-N 1 2 393.382 3.387 10 5 GGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000121601432 1414195821 /nfs/dbraw/zinc/19/58/21/1414195821.db2.gz ZTNHUHXSJGJYGS-LJQANCHMSA-N 1 2 385.420 3.011 10 5 GGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000121601432 1414195835 /nfs/dbraw/zinc/19/58/35/1414195835.db2.gz ZTNHUHXSJGJYGS-LJQANCHMSA-N 1 2 385.420 3.011 10 5 GGBELO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1SC ZINC000125666725 1415249558 /nfs/dbraw/zinc/24/95/58/1415249558.db2.gz HFLZUGUKQURDDY-DOMZBBRYSA-N 1 2 390.465 3.245 10 5 GGBELO C[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000272347880 1434889154 /nfs/dbraw/zinc/88/91/54/1434889154.db2.gz COCUMPLXNGKLBX-CXAGYDPISA-N 1 2 391.859 3.280 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000016695034 221368837 /nfs/dbraw/zinc/36/88/37/221368837.db2.gz OICYYRJLNSLGTB-HNNXBMFYSA-N 1 2 380.448 3.428 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000016695034 221368839 /nfs/dbraw/zinc/36/88/39/221368839.db2.gz OICYYRJLNSLGTB-HNNXBMFYSA-N 1 2 380.448 3.428 10 5 GGBELO C[C@@H]1CCC[N@@H+]([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000017245368 221382001 /nfs/dbraw/zinc/38/20/01/221382001.db2.gz HIPHZGNFRQKINA-BFUOFWGJSA-N 1 2 389.452 3.155 10 5 GGBELO C[C@@H]1CCC[N@H+]([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000017245368 221382006 /nfs/dbraw/zinc/38/20/06/221382006.db2.gz HIPHZGNFRQKINA-BFUOFWGJSA-N 1 2 389.452 3.155 10 5 GGBELO Cc1ccn2cc(CNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[nH+]c2c1 ZINC000065505326 136164081 /nfs/dbraw/zinc/16/40/81/136164081.db2.gz HBSRYOWZSFRRKG-UHFFFAOYSA-N 1 2 393.447 3.084 10 5 GGBELO COc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000096505281 136187331 /nfs/dbraw/zinc/18/73/31/136187331.db2.gz KCMQZTHFYCWTFK-UHFFFAOYSA-N 1 2 395.415 3.032 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000024864443 564333807 /nfs/dbraw/zinc/33/38/07/564333807.db2.gz WNGYTFJMTLCCBD-LLVKDONJSA-N 1 2 393.241 3.384 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000024864443 564333809 /nfs/dbraw/zinc/33/38/09/564333809.db2.gz WNGYTFJMTLCCBD-LLVKDONJSA-N 1 2 393.241 3.384 10 5 GGBELO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000044230284 564464573 /nfs/dbraw/zinc/46/45/73/564464573.db2.gz BNUSSHUSXHTGRK-UHFFFAOYSA-N 1 2 376.825 3.304 10 5 GGBELO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000124294537 564477717 /nfs/dbraw/zinc/47/77/17/564477717.db2.gz FETYBZXQXUUQJF-XHDPSFHLSA-N 1 2 393.241 3.277 10 5 GGBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000124294334 564478066 /nfs/dbraw/zinc/47/80/66/564478066.db2.gz FETYBZXQXUUQJF-IAQYHMDHSA-N 1 2 393.241 3.277 10 5 GGBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000130972294 564697885 /nfs/dbraw/zinc/69/78/85/564697885.db2.gz AAGMHXCDKLNCRP-UHFFFAOYSA-N 1 2 381.230 3.140 10 5 GGBELO O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)s1 ZINC000151943162 564941752 /nfs/dbraw/zinc/94/17/52/564941752.db2.gz XIENGOLKZRBGGO-UHFFFAOYSA-N 1 2 375.431 3.447 10 5 GGBELO CCn1cc[nH+]c1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000297131329 565357654 /nfs/dbraw/zinc/35/76/54/565357654.db2.gz OHWXIXOJRJDFDT-UHFFFAOYSA-N 1 2 382.218 3.204 10 5 GGBELO O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C1CC[NH+](CC(F)F)CC1 ZINC000298018603 565396410 /nfs/dbraw/zinc/39/64/10/565396410.db2.gz TZBICCYDJDQWKQ-UHFFFAOYSA-N 1 2 392.200 3.273 10 5 GGBELO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000301509716 565491440 /nfs/dbraw/zinc/49/14/40/565491440.db2.gz CSEPQZWBEGWEIP-UHFFFAOYSA-N 1 2 377.242 3.075 10 5 GGBELO Cc1c(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000280813380 565698006 /nfs/dbraw/zinc/69/80/06/565698006.db2.gz SQPPAUKELRTZCC-VIFPVBQESA-N 1 2 382.218 3.072 10 5 GGBELO Cc1ccc(C2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000363668876 566015868 /nfs/dbraw/zinc/01/58/68/566015868.db2.gz AZGCJHUPFUJQTA-UHFFFAOYSA-N 1 2 381.479 3.147 10 5 GGBELO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364746422 566067519 /nfs/dbraw/zinc/06/75/19/566067519.db2.gz OPQCMCAUQCBESI-UHFFFAOYSA-N 1 2 379.214 3.100 10 5 GGBELO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364746422 566067524 /nfs/dbraw/zinc/06/75/24/566067524.db2.gz OPQCMCAUQCBESI-UHFFFAOYSA-N 1 2 379.214 3.100 10 5 GGBELO Cc1cnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000481814616 566253954 /nfs/dbraw/zinc/25/39/54/566253954.db2.gz JMIJYKIWACWMBP-UHFFFAOYSA-N 1 2 391.269 3.383 10 5 GGBELO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccsc3Br)CC2)cn1 ZINC000600109915 566316230 /nfs/dbraw/zinc/31/62/30/566316230.db2.gz RXNIXHDUARWPMA-UHFFFAOYSA-N 1 2 383.271 3.136 10 5 GGBELO Cc1cccn2cc(CC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[nH+]c12 ZINC000557157526 566368463 /nfs/dbraw/zinc/36/84/63/566368463.db2.gz PYGSQKUMEROCCV-UHFFFAOYSA-N 1 2 389.209 3.495 10 5 GGBELO C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000538138027 566495770 /nfs/dbraw/zinc/49/57/70/566495770.db2.gz MWUFLBXBGMQFSH-ZUZCIYMTSA-N 1 2 378.226 3.235 10 5 GGBELO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000579500852 566614720 /nfs/dbraw/zinc/61/47/20/566614720.db2.gz CGIPKJIHGFIZOR-UHFFFAOYSA-N 1 2 395.257 3.448 10 5 GGBELO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000540337623 566647416 /nfs/dbraw/zinc/64/74/16/566647416.db2.gz JQBUTSXISILDTM-BONVTDFDSA-N 1 2 378.226 3.235 10 5 GGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCO[C@]4(CCSC4)C3)cs2)c1 ZINC000514863967 566675046 /nfs/dbraw/zinc/67/50/46/566675046.db2.gz NXSBMDMNTBNMOG-QGZVFWFLSA-N 1 2 377.491 3.426 10 5 GGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCO[C@]4(CCSC4)C3)cs2)c1 ZINC000514863967 566675052 /nfs/dbraw/zinc/67/50/52/566675052.db2.gz NXSBMDMNTBNMOG-QGZVFWFLSA-N 1 2 377.491 3.426 10 5 GGBELO O=[N+]([O-])c1cc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)cs1 ZINC000609564484 566771840 /nfs/dbraw/zinc/77/18/40/566771840.db2.gz YZQOJTWPCQPVMX-MRXNPFEDSA-N 1 2 381.885 3.161 10 5 GGBELO C[NH+](C)Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Br ZINC000469485565 566794162 /nfs/dbraw/zinc/79/41/62/566794162.db2.gz ICNRFJCYXWALGC-UHFFFAOYSA-N 1 2 394.225 3.377 10 5 GGBELO Cn1ncc(Br)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000494950605 567036055 /nfs/dbraw/zinc/03/60/55/567036055.db2.gz AJIHSYRVVVROPI-UHFFFAOYSA-N 1 2 395.257 3.134 10 5 GGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cc(Br)cn2C)c1 ZINC000589505335 567181944 /nfs/dbraw/zinc/18/19/44/567181944.db2.gz GDRKOWHGPZULMU-UHFFFAOYSA-N 1 2 396.241 3.114 10 5 GGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cc(Br)cn2C)c1 ZINC000589505335 567181951 /nfs/dbraw/zinc/18/19/51/567181951.db2.gz GDRKOWHGPZULMU-UHFFFAOYSA-N 1 2 396.241 3.114 10 5 GGBELO Cc1c(Br)cc(-c2nc(Cc3c[nH+]cn3C)no2)cc1[N+](=O)[O-] ZINC000547246342 567193381 /nfs/dbraw/zinc/19/33/81/567193381.db2.gz ZMRUCFRSZSYNPK-UHFFFAOYSA-N 1 2 378.186 3.040 10 5 GGBELO C[C@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455397652 567271175 /nfs/dbraw/zinc/27/11/75/567271175.db2.gz GLHHAXQZMFDVOE-UFBFGSQYSA-N 1 2 380.202 3.381 10 5 GGBELO CN(C)c1[nH+]cccc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501082422 567363323 /nfs/dbraw/zinc/36/33/23/567363323.db2.gz DOWOUJVYZNVFSZ-UHFFFAOYSA-N 1 2 394.229 3.140 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593115211 567387206 /nfs/dbraw/zinc/38/72/06/567387206.db2.gz AJLOHIDPAQMIIW-GFCCVEGCSA-N 1 2 394.159 3.431 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593115211 567387214 /nfs/dbraw/zinc/38/72/14/567387214.db2.gz AJLOHIDPAQMIIW-GFCCVEGCSA-N 1 2 394.159 3.431 10 5 GGBELO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000595291305 567551834 /nfs/dbraw/zinc/55/18/34/567551834.db2.gz JLPCDANQHXALHO-UHFFFAOYSA-N 1 2 395.232 3.214 10 5 GGBELO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000505858672 567599979 /nfs/dbraw/zinc/59/99/79/567599979.db2.gz IBYBOSGZEBMSKQ-UHFFFAOYSA-N 1 2 395.232 3.214 10 5 GGBELO Cc1c(NC(=O)N[C@@H](C)c2[nH+]ccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000596888370 567662403 /nfs/dbraw/zinc/66/24/03/567662403.db2.gz POWVXABQGITOFA-VIFPVBQESA-N 1 2 382.218 3.282 10 5 GGBELO O=C(C[N@@H+]1CCCSCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000534130480 567800315 /nfs/dbraw/zinc/80/03/15/567800315.db2.gz ALQFUFBUVBKWDT-UHFFFAOYSA-N 1 2 378.479 3.096 10 5 GGBELO O=C(C[N@H+]1CCCSCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000534130480 567800320 /nfs/dbraw/zinc/80/03/20/567800320.db2.gz ALQFUFBUVBKWDT-UHFFFAOYSA-N 1 2 378.479 3.096 10 5 GGBELO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1OC ZINC000006753557 570570474 /nfs/dbraw/zinc/57/04/74/570570474.db2.gz CFHGAYKMFWHRNE-UHFFFAOYSA-N 1 2 393.827 3.336 10 5 GGBELO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1OC ZINC000006753557 570570477 /nfs/dbraw/zinc/57/04/77/570570477.db2.gz CFHGAYKMFWHRNE-UHFFFAOYSA-N 1 2 393.827 3.336 10 5 GGBELO CC1CC[NH+]([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000036067092 570667643 /nfs/dbraw/zinc/66/76/43/570667643.db2.gz GSNUGPKLNMXGPY-LJQANCHMSA-N 1 2 389.452 3.155 10 5 GGBELO CC(C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000034681489 570690402 /nfs/dbraw/zinc/69/04/02/570690402.db2.gz PVQXUHVENXNZQD-UHFFFAOYSA-N 1 2 397.479 3.297 10 5 GGBELO CC(C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000034681488 570690422 /nfs/dbraw/zinc/69/04/22/570690422.db2.gz BLKRDSHDWGZKBW-UHFFFAOYSA-N 1 2 397.479 3.297 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000036410171 570696482 /nfs/dbraw/zinc/69/64/82/570696482.db2.gz DCYOIZABNOOFMO-LSDHHAIUSA-N 1 2 396.447 3.352 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000036410171 570696485 /nfs/dbraw/zinc/69/64/85/570696485.db2.gz DCYOIZABNOOFMO-LSDHHAIUSA-N 1 2 396.447 3.352 10 5 GGBELO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000025421545 570751124 /nfs/dbraw/zinc/75/11/24/570751124.db2.gz XIJNNINRRMFFHM-KRWDZBQOSA-N 1 2 397.431 3.450 10 5 GGBELO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000025421545 570751128 /nfs/dbraw/zinc/75/11/28/570751128.db2.gz XIJNNINRRMFFHM-KRWDZBQOSA-N 1 2 397.431 3.450 10 5 GGBELO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025514807 570756883 /nfs/dbraw/zinc/75/68/83/570756883.db2.gz USPWFJXZYJSGPH-DNVCBOLYSA-N 1 2 384.436 3.178 10 5 GGBELO C[NH+](C)Cc1nnc([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)o1 ZINC000583621973 570802392 /nfs/dbraw/zinc/80/23/92/570802392.db2.gz NFBAQBCGYILVFG-CQSZACIVSA-N 1 2 393.831 3.060 10 5 GGBELO Cc1nn(CC(=O)Nc2c3ccccc3[nH+]c3c2CCCC3)c(C)c1[N+](=O)[O-] ZINC000032801970 570820692 /nfs/dbraw/zinc/82/06/92/570820692.db2.gz GVHDFEOGOQOPAA-UHFFFAOYSA-N 1 2 379.420 3.474 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007356481 570833250 /nfs/dbraw/zinc/83/32/50/570833250.db2.gz VSRQDZKQYUGSHL-INIZCTEOSA-N 1 2 398.463 3.063 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007356481 570833253 /nfs/dbraw/zinc/83/32/53/570833253.db2.gz VSRQDZKQYUGSHL-INIZCTEOSA-N 1 2 398.463 3.063 10 5 GGBELO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1C ZINC000025790012 570959147 /nfs/dbraw/zinc/95/91/47/570959147.db2.gz DDJIYZZIRSJDGK-UHFFFAOYSA-N 1 2 385.420 3.053 10 5 GGBELO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1C ZINC000025790012 570959152 /nfs/dbraw/zinc/95/91/52/570959152.db2.gz DDJIYZZIRSJDGK-UHFFFAOYSA-N 1 2 385.420 3.053 10 5 GGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000095446793 1410311330 /nfs/dbraw/zinc/31/13/30/1410311330.db2.gz IXDSUYJKFPGFEN-ZDUSSCGKSA-N 1 2 382.424 3.299 10 5 GGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000095446793 1410311336 /nfs/dbraw/zinc/31/13/36/1410311336.db2.gz IXDSUYJKFPGFEN-ZDUSSCGKSA-N 1 2 382.424 3.299 10 5 GGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000121601267 1414195301 /nfs/dbraw/zinc/19/53/01/1414195301.db2.gz ZTNHUHXSJGJYGS-IBGZPJMESA-N 1 2 385.420 3.011 10 5 GGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000121601267 1414195304 /nfs/dbraw/zinc/19/53/04/1414195304.db2.gz ZTNHUHXSJGJYGS-IBGZPJMESA-N 1 2 385.420 3.011 10 5 GGBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129433504 1416208677 /nfs/dbraw/zinc/20/86/77/1416208677.db2.gz CKQXDMDFYLPOIN-IGCXYCKISA-N 1 2 391.859 3.355 10 5 GGBELO COc1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000007977056 204256376 /nfs/dbraw/zinc/25/63/76/204256376.db2.gz CYAWTJFLJLHIMM-UHFFFAOYSA-N 1 2 395.362 3.275 10 5 GGBELO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000007977056 204256381 /nfs/dbraw/zinc/25/63/81/204256381.db2.gz CYAWTJFLJLHIMM-UHFFFAOYSA-N 1 2 395.362 3.275 10 5 GGBELO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000009156036 204300666 /nfs/dbraw/zinc/30/06/66/204300666.db2.gz LPCHAMIIUOFQKK-CQSZACIVSA-N 1 2 393.440 3.415 10 5 GGBELO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000009156036 204300669 /nfs/dbraw/zinc/30/06/69/204300669.db2.gz LPCHAMIIUOFQKK-CQSZACIVSA-N 1 2 393.440 3.415 10 5 GGBELO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011148933 204342686 /nfs/dbraw/zinc/34/26/86/204342686.db2.gz YEUKQCHGMLTGHT-OAHLLOKOSA-N 1 2 380.828 3.129 10 5 GGBELO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011148933 204342689 /nfs/dbraw/zinc/34/26/89/204342689.db2.gz YEUKQCHGMLTGHT-OAHLLOKOSA-N 1 2 380.828 3.129 10 5 GGBELO Cc1cc(NCCc2nnc3ccccn32)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000058144659 205165042 /nfs/dbraw/zinc/16/50/42/205165042.db2.gz XUOBAOYQWOCWIB-UHFFFAOYSA-N 1 2 375.392 3.058 10 5 GGBELO Nc1[nH+]ccc(Oc2cc(F)c([N+](=O)[O-])cc2F)c1I ZINC000098177798 205602156 /nfs/dbraw/zinc/60/21/56/205602156.db2.gz SXICRIWEINJGAA-UHFFFAOYSA-N 1 2 393.087 3.247 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000225385005 206046090 /nfs/dbraw/zinc/04/60/90/206046090.db2.gz DURNGRGZAUNRDK-UTKZUKDTSA-N 1 2 394.475 3.079 10 5 GGBELO Cc1cccn2cc(COC(=O)/C=C/c3cc4c(cc3[N+](=O)[O-])OCO4)[nH+]c12 ZINC000010376283 221102688 /nfs/dbraw/zinc/10/26/88/221102688.db2.gz VPFTXEASOIFXEU-SNAWJCMRSA-N 1 2 381.344 3.036 10 5 GGBELO CN(C)c1[nH+]cccc1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000119314400 564264953 /nfs/dbraw/zinc/26/49/53/564264953.db2.gz QOHYWBDRXMTACS-UHFFFAOYSA-N 1 2 393.241 3.024 10 5 GGBELO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Br ZINC000119679678 564283105 /nfs/dbraw/zinc/28/31/05/564283105.db2.gz ZTOHFPURGINWSX-JTQLQIEISA-N 1 2 378.226 3.307 10 5 GGBELO O=[N+]([O-])c1cccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000119730367 564285772 /nfs/dbraw/zinc/28/57/72/564285772.db2.gz UXHVQIABWJVKSA-UHFFFAOYSA-N 1 2 388.225 3.432 10 5 GGBELO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000030200883 564377122 /nfs/dbraw/zinc/37/71/22/564377122.db2.gz SKTGZGAWDGQGPC-UHFFFAOYSA-N 1 2 377.242 3.075 10 5 GGBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000124293814 564477924 /nfs/dbraw/zinc/47/79/24/564477924.db2.gz FETYBZXQXUUQJF-ABAIWWIYSA-N 1 2 393.241 3.277 10 5 GGBELO CCn1c2ccc(F)cc2[nH+]c1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000132610685 564747802 /nfs/dbraw/zinc/74/78/02/564747802.db2.gz URFPZDXQQPASHR-UHFFFAOYSA-N 1 2 395.188 3.076 10 5 GGBELO O=C(Nc1cncc(Br)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000155807305 565071757 /nfs/dbraw/zinc/07/17/57/565071757.db2.gz DGUXTFPARKVUEQ-UHFFFAOYSA-N 1 2 388.181 3.190 10 5 GGBELO COc1cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC000184397100 565133114 /nfs/dbraw/zinc/13/31/14/565133114.db2.gz WVWJZQCVDCKCTE-AWEZNQCLSA-N 1 2 399.216 3.328 10 5 GGBELO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371077225 565176385 /nfs/dbraw/zinc/17/63/85/565176385.db2.gz WKCODIRZTKXHSO-UHFFFAOYSA-N 1 2 394.229 3.492 10 5 GGBELO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371077225 565176390 /nfs/dbraw/zinc/17/63/90/565176390.db2.gz WKCODIRZTKXHSO-UHFFFAOYSA-N 1 2 394.229 3.492 10 5 GGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000185578332 565209608 /nfs/dbraw/zinc/20/96/08/565209608.db2.gz WRNRYNIRGNBGIH-MRXNPFEDSA-N 1 2 392.253 3.324 10 5 GGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000185578332 565209611 /nfs/dbraw/zinc/20/96/11/565209611.db2.gz WRNRYNIRGNBGIH-MRXNPFEDSA-N 1 2 392.253 3.324 10 5 GGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000185578319 565209784 /nfs/dbraw/zinc/20/97/84/565209784.db2.gz WRNRYNIRGNBGIH-INIZCTEOSA-N 1 2 392.253 3.324 10 5 GGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000185578319 565209786 /nfs/dbraw/zinc/20/97/86/565209786.db2.gz WRNRYNIRGNBGIH-INIZCTEOSA-N 1 2 392.253 3.324 10 5 GGBELO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000273190838 565311654 /nfs/dbraw/zinc/31/16/54/565311654.db2.gz IBQNFNCKRYBLQY-UHFFFAOYSA-N 1 2 379.214 3.100 10 5 GGBELO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000375559485 565395154 /nfs/dbraw/zinc/39/51/54/565395154.db2.gz FGYWAJXVEPVQNN-UHFFFAOYSA-N 1 2 394.229 3.423 10 5 GGBELO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000375560866 565395817 /nfs/dbraw/zinc/39/58/17/565395817.db2.gz OBBKVMZZAKBRSR-UHFFFAOYSA-N 1 2 394.229 3.492 10 5 GGBELO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000375560866 565395822 /nfs/dbraw/zinc/39/58/22/565395822.db2.gz OBBKVMZZAKBRSR-UHFFFAOYSA-N 1 2 394.229 3.492 10 5 GGBELO Cc1cc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)ncc1[N+](=O)[O-] ZINC000301733154 565507793 /nfs/dbraw/zinc/50/77/93/565507793.db2.gz YTLZISHZYRPMMO-UHFFFAOYSA-N 1 2 391.269 3.383 10 5 GGBELO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1n1cc[nH+]c1 ZINC000192366661 565683300 /nfs/dbraw/zinc/68/33/00/565683300.db2.gz CVSDWMLIBBQCDC-SMDDNHRTSA-N 1 2 393.241 3.277 10 5 GGBELO Cc1c(NC(=O)NCCCn2cc[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000280865127 565700988 /nfs/dbraw/zinc/70/09/88/565700988.db2.gz YIOQQKAESXSNBJ-UHFFFAOYSA-N 1 2 382.218 3.074 10 5 GGBELO Cc1c(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000367977485 566225859 /nfs/dbraw/zinc/22/58/59/566225859.db2.gz QHSOZLDIAGYKFI-JTQLQIEISA-N 1 2 394.229 3.068 10 5 GGBELO Cc1c(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000367977485 566225862 /nfs/dbraw/zinc/22/58/62/566225862.db2.gz QHSOZLDIAGYKFI-JTQLQIEISA-N 1 2 394.229 3.068 10 5 GGBELO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000481812077 566253960 /nfs/dbraw/zinc/25/39/60/566253960.db2.gz HYKYWODNCRITRZ-UHFFFAOYSA-N 1 2 391.269 3.383 10 5 GGBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599571288 566276012 /nfs/dbraw/zinc/27/60/12/566276012.db2.gz BCEJELPPOVZDPM-UHFFFAOYSA-N 1 2 381.230 3.140 10 5 GGBELO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599573091 566276189 /nfs/dbraw/zinc/27/61/89/566276189.db2.gz MCRRGENXTFWDLF-HNNXBMFYSA-N 1 2 395.257 3.400 10 5 GGBELO COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599573091 566276201 /nfs/dbraw/zinc/27/62/01/566276201.db2.gz MCRRGENXTFWDLF-HNNXBMFYSA-N 1 2 395.257 3.400 10 5 GGBELO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000599915982 566302457 /nfs/dbraw/zinc/30/24/57/566302457.db2.gz AJOWKLOMTFGSCG-SNVBAGLBSA-N 1 2 379.214 3.063 10 5 GGBELO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443463 566304284 /nfs/dbraw/zinc/30/42/84/566304284.db2.gz XXGROMAWVHQQEW-JTQLQIEISA-N 1 2 396.296 3.054 10 5 GGBELO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443463 566304286 /nfs/dbraw/zinc/30/42/86/566304286.db2.gz XXGROMAWVHQQEW-JTQLQIEISA-N 1 2 396.296 3.054 10 5 GGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)cs2)c1 ZINC000600209764 566325453 /nfs/dbraw/zinc/32/54/53/566325453.db2.gz VXTKCCJIVJUSGE-TWKFVSLJSA-N 1 2 377.491 3.204 10 5 GGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)cs2)c1 ZINC000600209764 566325460 /nfs/dbraw/zinc/32/54/60/566325460.db2.gz VXTKCCJIVJUSGE-TWKFVSLJSA-N 1 2 377.491 3.204 10 5 GGBELO C[C@](CO)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000511588704 566475589 /nfs/dbraw/zinc/47/55/89/566475589.db2.gz QIUSWHAXEHKUMA-MRXNPFEDSA-N 1 2 383.217 3.494 10 5 GGBELO C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000538138025 566495980 /nfs/dbraw/zinc/49/59/80/566495980.db2.gz MWUFLBXBGMQFSH-BONVTDFDSA-N 1 2 378.226 3.235 10 5 GGBELO C[C@](CO)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000425455039 566644919 /nfs/dbraw/zinc/64/49/19/566644919.db2.gz FVMRQQKYUHGHQL-MRXNPFEDSA-N 1 2 381.226 3.060 10 5 GGBELO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000425449750 566645787 /nfs/dbraw/zinc/64/57/87/566645787.db2.gz TXIOABNORJONSV-UHFFFAOYSA-N 1 2 398.213 3.157 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000425490422 566648440 /nfs/dbraw/zinc/64/84/40/566648440.db2.gz KYGFXWZFWSRIEL-CABZTGNLSA-N 1 2 383.164 3.102 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000425490422 566648445 /nfs/dbraw/zinc/64/84/45/566648445.db2.gz KYGFXWZFWSRIEL-CABZTGNLSA-N 1 2 383.164 3.102 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000425490419 566649482 /nfs/dbraw/zinc/64/94/82/566649482.db2.gz KYGFXWZFWSRIEL-BXKDBHETSA-N 1 2 383.164 3.102 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000425490419 566649489 /nfs/dbraw/zinc/64/94/89/566649489.db2.gz KYGFXWZFWSRIEL-BXKDBHETSA-N 1 2 383.164 3.102 10 5 GGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCO[C@@]4(CCSC4)C3)cs2)c1 ZINC000514863957 566674584 /nfs/dbraw/zinc/67/45/84/566674584.db2.gz NXSBMDMNTBNMOG-KRWDZBQOSA-N 1 2 377.491 3.426 10 5 GGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCO[C@@]4(CCSC4)C3)cs2)c1 ZINC000514863957 566674594 /nfs/dbraw/zinc/67/45/94/566674594.db2.gz NXSBMDMNTBNMOG-KRWDZBQOSA-N 1 2 377.491 3.426 10 5 GGBELO O=C(NCc1[nH+]ccn1CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609042995 566747756 /nfs/dbraw/zinc/74/77/56/566747756.db2.gz PSVGMDKANBJAHJ-UHFFFAOYSA-N 1 2 377.710 3.329 10 5 GGBELO CS[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000451320824 566796137 /nfs/dbraw/zinc/79/61/37/566796137.db2.gz MJFDSFYZQGEUSS-CYBMUJFWSA-N 1 2 378.479 3.094 10 5 GGBELO CS[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000451320824 566796143 /nfs/dbraw/zinc/79/61/43/566796143.db2.gz MJFDSFYZQGEUSS-CYBMUJFWSA-N 1 2 378.479 3.094 10 5 GGBELO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000565939509 567113345 /nfs/dbraw/zinc/11/33/45/567113345.db2.gz AQRLLWPOFDFPMR-UHFFFAOYSA-N 1 2 393.241 3.057 10 5 GGBELO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455402771 567270596 /nfs/dbraw/zinc/27/05/96/567270596.db2.gz OSPDJIKFXKETNE-VIFPVBQESA-N 1 2 382.218 3.456 10 5 GGBELO C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455397650 567270960 /nfs/dbraw/zinc/27/09/60/567270960.db2.gz GLHHAXQZMFDVOE-QPUJVOFHSA-N 1 2 380.202 3.381 10 5 GGBELO CN(C)c1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000501080075 567363336 /nfs/dbraw/zinc/36/33/36/567363336.db2.gz CCLAFZAJYQJKAP-UHFFFAOYSA-N 1 2 394.229 3.140 10 5 GGBELO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501130973 567367772 /nfs/dbraw/zinc/36/77/72/567367772.db2.gz WWQWJDOJSHMZKM-UHFFFAOYSA-N 1 2 382.218 3.108 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593115212 567386770 /nfs/dbraw/zinc/38/67/70/567386770.db2.gz AJLOHIDPAQMIIW-LBPRGKRZSA-N 1 2 394.159 3.431 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593115212 567386775 /nfs/dbraw/zinc/38/67/75/567386775.db2.gz AJLOHIDPAQMIIW-LBPRGKRZSA-N 1 2 394.159 3.431 10 5 GGBELO C[C@@](CO)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000550098125 567427743 /nfs/dbraw/zinc/42/77/43/567427743.db2.gz ZBWMDSBJSKOJFU-INIZCTEOSA-N 1 2 381.226 3.060 10 5 GGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000571109009 567538065 /nfs/dbraw/zinc/53/80/65/567538065.db2.gz IKWCZKOSJOTMTD-UHFFFAOYSA-N 1 2 387.255 3.119 10 5 GGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000571109009 567538073 /nfs/dbraw/zinc/53/80/73/567538073.db2.gz IKWCZKOSJOTMTD-UHFFFAOYSA-N 1 2 387.255 3.119 10 5 GGBELO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)c1C ZINC000461220627 567726424 /nfs/dbraw/zinc/72/64/24/567726424.db2.gz UEUYBFMIBYZHON-UHFFFAOYSA-N 1 2 378.435 3.260 10 5 GGBELO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000575011047 567809052 /nfs/dbraw/zinc/80/90/52/567809052.db2.gz NFQNIUXZNXWPRT-UHFFFAOYSA-N 1 2 388.181 3.190 10 5 GGBELO Cc1ccc(C(=O)N2CCN(c3nc(C)[nH+]c(C)c3C(C)C)CC2)cc1[N+](=O)[O-] ZINC000000697457 570293261 /nfs/dbraw/zinc/29/32/61/570293261.db2.gz SUNZGVGSUOLURZ-UHFFFAOYSA-N 1 2 397.479 3.396 10 5 GGBELO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025514820 570756908 /nfs/dbraw/zinc/75/69/08/570756908.db2.gz USPWFJXZYJSGPH-KXBFYZLASA-N 1 2 384.436 3.178 10 5 GGBELO C[C@H]1CCC[N@@H+]([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000036644163 570781837 /nfs/dbraw/zinc/78/18/37/570781837.db2.gz HIPHZGNFRQKINA-DJJJIMSYSA-N 1 2 389.452 3.155 10 5 GGBELO C[C@H]1CCC[N@H+]([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000036644163 570781839 /nfs/dbraw/zinc/78/18/39/570781839.db2.gz HIPHZGNFRQKINA-DJJJIMSYSA-N 1 2 389.452 3.155 10 5 GGBELO C[C@@H]1CCC[N@@H+]([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000036644161 570781871 /nfs/dbraw/zinc/78/18/71/570781871.db2.gz HIPHZGNFRQKINA-YJYMSZOUSA-N 1 2 389.452 3.155 10 5 GGBELO C[C@@H]1CCC[N@H+]([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000036644161 570781875 /nfs/dbraw/zinc/78/18/75/570781875.db2.gz HIPHZGNFRQKINA-YJYMSZOUSA-N 1 2 389.452 3.155 10 5 GGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012939781 1399066723 /nfs/dbraw/zinc/06/67/23/1399066723.db2.gz CVBJHGZKZXEVQL-MRXNPFEDSA-N 1 2 396.447 3.192 10 5 GGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012939781 1399066728 /nfs/dbraw/zinc/06/67/28/1399066728.db2.gz CVBJHGZKZXEVQL-MRXNPFEDSA-N 1 2 396.447 3.192 10 5 GGBELO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1SC ZINC000125667254 1415249629 /nfs/dbraw/zinc/24/96/29/1415249629.db2.gz HFLZUGUKQURDDY-IUODEOHRSA-N 1 2 390.465 3.245 10 5 GGBELO O=C1C[C@@H]([NH+]2CCC(c3ccsc3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000185936325 1431286468 /nfs/dbraw/zinc/28/64/68/1431286468.db2.gz BGRKNQUVGPYNTH-QGZVFWFLSA-N 1 2 385.445 3.168 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000016695033 207076817 /nfs/dbraw/zinc/07/68/17/207076817.db2.gz OICYYRJLNSLGTB-OAHLLOKOSA-N 1 2 380.448 3.428 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000016695033 207076821 /nfs/dbraw/zinc/07/68/21/207076821.db2.gz OICYYRJLNSLGTB-OAHLLOKOSA-N 1 2 380.448 3.428 10 5 GGBELO C[C@H]1CCC[N@@H+]([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000017245372 207088517 /nfs/dbraw/zinc/08/85/17/207088517.db2.gz HIPHZGNFRQKINA-ORAYPTAESA-N 1 2 389.452 3.155 10 5 GGBELO C[C@H]1CCC[N@H+]([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000017245372 207088522 /nfs/dbraw/zinc/08/85/22/207088522.db2.gz HIPHZGNFRQKINA-ORAYPTAESA-N 1 2 389.452 3.155 10 5 GGBELO O=C(CSc1ccsc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000020355528 207189042 /nfs/dbraw/zinc/18/90/42/207189042.db2.gz WHCJLBKDIBDNEC-UHFFFAOYSA-N 1 2 377.491 3.093 10 5 GGBELO O=[N+]([O-])c1cccc(-c2nnn(C[NH+]3CCC(Cc4ccccc4)CC3)n2)c1 ZINC000020446762 207192994 /nfs/dbraw/zinc/19/29/94/207192994.db2.gz YHWKJSSUNURHNY-UHFFFAOYSA-N 1 2 378.436 3.161 10 5 GGBELO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025514816 207304888 /nfs/dbraw/zinc/30/48/88/207304888.db2.gz USPWFJXZYJSGPH-BEFAXECRSA-N 1 2 384.436 3.178 10 5 GGBELO CC[N@@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H]1COc2ccccc2O1 ZINC000031173468 207379511 /nfs/dbraw/zinc/37/95/11/207379511.db2.gz FHLDKZJTINAYHC-OAHLLOKOSA-N 1 2 385.420 3.004 10 5 GGBELO CC[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H]1COc2ccccc2O1 ZINC000031173468 207379515 /nfs/dbraw/zinc/37/95/15/207379515.db2.gz FHLDKZJTINAYHC-OAHLLOKOSA-N 1 2 385.420 3.004 10 5 GGBELO COC(=O)C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000095462543 208189475 /nfs/dbraw/zinc/18/94/75/208189475.db2.gz ORWIUGFTGOXFFO-MRXNPFEDSA-N 1 2 382.376 3.039 10 5 GGBELO CC(=O)N1CCN(c2nc(C(C)C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096316925 136186383 /nfs/dbraw/zinc/18/63/83/136186383.db2.gz BRPAYQZVJHAJCT-UHFFFAOYSA-N 1 2 397.479 3.076 10 5 GGBELO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Br ZINC000119679827 564283123 /nfs/dbraw/zinc/28/31/23/564283123.db2.gz ZTOHFPURGINWSX-SNVBAGLBSA-N 1 2 378.226 3.307 10 5 GGBELO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000030203715 564377130 /nfs/dbraw/zinc/37/71/30/564377130.db2.gz WBTRNVOQCMAOFT-UHFFFAOYSA-N 1 2 377.242 3.075 10 5 GGBELO Cc1c(Br)cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000133230892 564766790 /nfs/dbraw/zinc/76/67/90/564766790.db2.gz BMDURZRUSSJQRJ-ZDUSSCGKSA-N 1 2 393.241 3.167 10 5 GGBELO CCn1c2ccc(F)cc2[nH+]c1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000153447551 564995163 /nfs/dbraw/zinc/99/51/63/564995163.db2.gz FFJWUEKDXSUYNA-UHFFFAOYSA-N 1 2 395.188 3.076 10 5 GGBELO Cc1ccc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000187435460 565332760 /nfs/dbraw/zinc/33/27/60/565332760.db2.gz PNQFYLHZKSIDIT-UHFFFAOYSA-N 1 2 385.239 3.343 10 5 GGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000276620763 565455600 /nfs/dbraw/zinc/45/56/00/565455600.db2.gz QXISXZVKXRRVKA-UHFFFAOYSA-N 1 2 379.869 3.406 10 5 GGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000276620763 565455606 /nfs/dbraw/zinc/45/56/06/565455606.db2.gz QXISXZVKXRRVKA-UHFFFAOYSA-N 1 2 379.869 3.406 10 5 GGBELO Cc1nc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301718839 565507022 /nfs/dbraw/zinc/50/70/22/565507022.db2.gz OXKDGLVXXCHKLV-UHFFFAOYSA-N 1 2 391.269 3.383 10 5 GGBELO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000301724303 565507289 /nfs/dbraw/zinc/50/72/89/565507289.db2.gz SZSZTOIRANKXHU-UHFFFAOYSA-N 1 2 391.269 3.383 10 5 GGBELO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378076414 565511336 /nfs/dbraw/zinc/51/13/36/565511336.db2.gz LNBIPSVSLBRPBN-UHFFFAOYSA-N 1 2 379.214 3.100 10 5 GGBELO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378076414 565511339 /nfs/dbraw/zinc/51/13/39/565511339.db2.gz LNBIPSVSLBRPBN-UHFFFAOYSA-N 1 2 379.214 3.100 10 5 GGBELO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364335169 566045012 /nfs/dbraw/zinc/04/50/12/566045012.db2.gz DTEVKLCOPANBJJ-UHFFFAOYSA-N 1 2 379.214 3.100 10 5 GGBELO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364335169 566045015 /nfs/dbraw/zinc/04/50/15/566045015.db2.gz DTEVKLCOPANBJJ-UHFFFAOYSA-N 1 2 379.214 3.100 10 5 GGBELO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599573092 566276301 /nfs/dbraw/zinc/27/63/01/566276301.db2.gz MCRRGENXTFWDLF-OAHLLOKOSA-N 1 2 395.257 3.400 10 5 GGBELO COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599573092 566276307 /nfs/dbraw/zinc/27/63/07/566276307.db2.gz MCRRGENXTFWDLF-OAHLLOKOSA-N 1 2 395.257 3.400 10 5 GGBELO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443464 566304234 /nfs/dbraw/zinc/30/42/34/566304234.db2.gz XXGROMAWVHQQEW-SNVBAGLBSA-N 1 2 396.296 3.054 10 5 GGBELO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443464 566304239 /nfs/dbraw/zinc/30/42/39/566304239.db2.gz XXGROMAWVHQQEW-SNVBAGLBSA-N 1 2 396.296 3.054 10 5 GGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000446090850 566329328 /nfs/dbraw/zinc/32/93/28/566329328.db2.gz NNEYCMVHPOPVLI-UHFFFAOYSA-N 1 2 376.722 3.245 10 5 GGBELO CCc1ncc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000449611902 566585885 /nfs/dbraw/zinc/58/58/85/566585885.db2.gz ZIEJWOYDTSWGDG-UHFFFAOYSA-N 1 2 387.177 3.040 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000425420334 566641303 /nfs/dbraw/zinc/64/13/03/566641303.db2.gz PASNUNHZQPJJAK-MRXNPFEDSA-N 1 2 398.301 3.044 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000425420334 566641308 /nfs/dbraw/zinc/64/13/08/566641308.db2.gz PASNUNHZQPJJAK-MRXNPFEDSA-N 1 2 398.301 3.044 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000425420333 566641817 /nfs/dbraw/zinc/64/18/17/566641817.db2.gz PASNUNHZQPJJAK-INIZCTEOSA-N 1 2 398.301 3.044 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000425420333 566641821 /nfs/dbraw/zinc/64/18/21/566641821.db2.gz PASNUNHZQPJJAK-INIZCTEOSA-N 1 2 398.301 3.044 10 5 GGBELO C[C@@](CO)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000425455038 566645061 /nfs/dbraw/zinc/64/50/61/566645061.db2.gz FVMRQQKYUHGHQL-INIZCTEOSA-N 1 2 381.226 3.060 10 5 GGBELO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cs1 ZINC000492223870 566928222 /nfs/dbraw/zinc/92/82/22/566928222.db2.gz IATQCWOQXQINNO-LBPRGKRZSA-N 1 2 375.219 3.381 10 5 GGBELO Cn1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nn1 ZINC000611930469 566944311 /nfs/dbraw/zinc/94/43/11/566944311.db2.gz JDVAMBKHLRPGDA-UHFFFAOYSA-N 1 2 392.213 3.036 10 5 GGBELO CCOc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000453311302 567074311 /nfs/dbraw/zinc/07/43/11/567074311.db2.gz SKINAFYBGXFPKA-SNVBAGLBSA-N 1 2 383.246 3.340 10 5 GGBELO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000585808806 567091300 /nfs/dbraw/zinc/09/13/00/567091300.db2.gz WKSKAHXFIJUVCW-CYBMUJFWSA-N 1 2 394.229 3.423 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000589319553 567175380 /nfs/dbraw/zinc/17/53/80/567175380.db2.gz CXGROULICJOMMM-LLVKDONJSA-N 1 2 382.148 3.477 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000589319555 567175573 /nfs/dbraw/zinc/17/55/73/567175573.db2.gz CXGROULICJOMMM-NSHDSACASA-N 1 2 382.148 3.477 10 5 GGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(Br)o2)c1 ZINC000589494940 567182067 /nfs/dbraw/zinc/18/20/67/567182067.db2.gz AHDINLUWLHINKY-UHFFFAOYSA-N 1 2 383.198 3.369 10 5 GGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(Br)o2)c1 ZINC000589494940 567182072 /nfs/dbraw/zinc/18/20/72/567182072.db2.gz AHDINLUWLHINKY-UHFFFAOYSA-N 1 2 383.198 3.369 10 5 GGBELO O=[N+]([O-])c1cc(Br)cnc1NCc1[nH+]ccn1CC(F)(F)F ZINC000474789219 567198755 /nfs/dbraw/zinc/19/87/55/567198755.db2.gz ITVFZPIIMWURAG-UHFFFAOYSA-N 1 2 380.124 3.123 10 5 GGBELO CO[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1C ZINC000567032437 567212364 /nfs/dbraw/zinc/21/23/64/567212364.db2.gz REVJPPPAYYHIBU-QMTHXVAHSA-N 1 2 390.221 3.056 10 5 GGBELO CO[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1C ZINC000567032437 567212365 /nfs/dbraw/zinc/21/23/65/567212365.db2.gz REVJPPPAYYHIBU-QMTHXVAHSA-N 1 2 390.221 3.056 10 5 GGBELO Cc1c(NC(=O)N(C)CCCn2cc[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000435322406 567355286 /nfs/dbraw/zinc/35/52/86/567355286.db2.gz CKMVPKRODDTKGH-UHFFFAOYSA-N 1 2 396.245 3.416 10 5 GGBELO O=C(NCc1cn2ccccc2[nH+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501070410 567362601 /nfs/dbraw/zinc/36/26/01/567362601.db2.gz KGXNEDGVVBAPEA-UHFFFAOYSA-N 1 2 390.197 3.327 10 5 GGBELO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000593690361 567434963 /nfs/dbraw/zinc/43/49/63/567434963.db2.gz QVXQLGUBNRDMOO-UHFFFAOYSA-N 1 2 379.214 3.071 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437245092 567484898 /nfs/dbraw/zinc/48/48/98/567484898.db2.gz OLSCDBHGEXXDKF-JTQLQIEISA-N 1 2 377.344 3.030 10 5 GGBELO Cc1c(NC(=O)NCCCCn2cc[nH+]c2)cc(Br)cc1[N+](=O)[O-] ZINC000571622039 567576256 /nfs/dbraw/zinc/57/62/56/567576256.db2.gz WBHCYUCHMLVMOQ-UHFFFAOYSA-N 1 2 396.245 3.464 10 5 GGBELO C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000507755277 567703311 /nfs/dbraw/zinc/70/33/11/567703311.db2.gz CMSKYAUEQLWFRQ-LLVKDONJSA-N 1 2 378.479 3.094 10 5 GGBELO C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCS1 ZINC000507755277 567703317 /nfs/dbraw/zinc/70/33/17/567703317.db2.gz CMSKYAUEQLWFRQ-LLVKDONJSA-N 1 2 378.479 3.094 10 5 GGBELO Cc1sc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1[N+](=O)[O-] ZINC000443571148 567767018 /nfs/dbraw/zinc/76/70/18/567767018.db2.gz YEHFAKQOEGCKFP-UHFFFAOYSA-N 1 2 379.869 3.406 10 5 GGBELO Cc1sc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1[N+](=O)[O-] ZINC000443571148 567767024 /nfs/dbraw/zinc/76/70/24/567767024.db2.gz YEHFAKQOEGCKFP-UHFFFAOYSA-N 1 2 379.869 3.406 10 5 GGBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000598946015 567800094 /nfs/dbraw/zinc/80/00/94/567800094.db2.gz NWFACPGFODCVKD-UHFFFAOYSA-N 1 2 378.226 3.189 10 5 GGBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000598946015 567800098 /nfs/dbraw/zinc/80/00/98/567800098.db2.gz NWFACPGFODCVKD-UHFFFAOYSA-N 1 2 378.226 3.189 10 5 GGBELO COc1cc2nc(C[N@H+](C)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC ZINC000049581068 570271243 /nfs/dbraw/zinc/27/12/43/570271243.db2.gz YCRSYFQMOLQUPG-GFCCVEGCSA-N 1 2 398.419 3.042 10 5 GGBELO COc1cc2nc(C[N@@H+](C)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC ZINC000049581068 570271246 /nfs/dbraw/zinc/27/12/46/570271246.db2.gz YCRSYFQMOLQUPG-GFCCVEGCSA-N 1 2 398.419 3.042 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007356482 570833397 /nfs/dbraw/zinc/83/33/97/570833397.db2.gz VSRQDZKQYUGSHL-MRXNPFEDSA-N 1 2 398.463 3.063 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007356482 570833399 /nfs/dbraw/zinc/83/33/99/570833399.db2.gz VSRQDZKQYUGSHL-MRXNPFEDSA-N 1 2 398.463 3.063 10 5 GGBELO CS(=O)(=O)NCCCSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000065606807 570839568 /nfs/dbraw/zinc/83/95/68/570839568.db2.gz DXOKKEORTFEIQV-UHFFFAOYSA-N 1 2 386.502 3.067 10 5 GGBELO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000151229907 1417898472 /nfs/dbraw/zinc/89/84/72/1417898472.db2.gz DRRDKRFYLXQUII-IAQYHMDHSA-N 1 2 398.872 3.025 10 5 GGBELO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC001660387349 1126264148 /nfs/dbraw/zinc/26/41/48/1126264148.db2.gz DYBSLOGJWXZDTG-KRWDZBQOSA-N 1 2 395.253 3.146 10 5 GGBELO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nnc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000016515313 210191420 /nfs/dbraw/zinc/19/14/20/210191420.db2.gz IGMYQBVYRVUYFC-UHFFFAOYSA-N 1 2 383.383 3.106 10 5 GGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012939789 210034017 /nfs/dbraw/zinc/03/40/17/210034017.db2.gz CVBJHGZKZXEVQL-INIZCTEOSA-N 1 2 396.447 3.192 10 5 GGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012939789 210034020 /nfs/dbraw/zinc/03/40/20/210034020.db2.gz CVBJHGZKZXEVQL-INIZCTEOSA-N 1 2 396.447 3.192 10 5 GGBELO Cc1ccccc1-c1nnc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000020177789 210321584 /nfs/dbraw/zinc/32/15/84/210321584.db2.gz IKAKFDPRFAKKOS-UHFFFAOYSA-N 1 2 379.420 3.275 10 5 GGBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000117750070 564231348 /nfs/dbraw/zinc/23/13/48/564231348.db2.gz HDBKNIMATDTHJR-UHFFFAOYSA-N 1 2 379.203 3.408 10 5 GGBELO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120418788 564319224 /nfs/dbraw/zinc/31/92/24/564319224.db2.gz XIWZSSVSSJBQIL-UHFFFAOYSA-N 1 2 395.257 3.069 10 5 GGBELO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000121447693 564369970 /nfs/dbraw/zinc/36/99/70/564369970.db2.gz AGBJUPVJJWPLRN-ZDUSSCGKSA-N 1 2 384.845 3.196 10 5 GGBELO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000048059777 564530982 /nfs/dbraw/zinc/53/09/82/564530982.db2.gz GEISACMSFWUNCC-UHFFFAOYSA-N 1 2 377.242 3.075 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000048375077 564538029 /nfs/dbraw/zinc/53/80/29/564538029.db2.gz LPIWRYAUTKPBJX-LBPRGKRZSA-N 1 2 392.257 3.031 10 5 GGBELO O=[N+]([O-])c1c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc2sccn21 ZINC000058304068 564682215 /nfs/dbraw/zinc/68/22/15/564682215.db2.gz CUVZWZBEVZZGCW-UHFFFAOYSA-N 1 2 383.886 3.341 10 5 GGBELO COc1cc(C[N@@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131363100 564709010 /nfs/dbraw/zinc/70/90/10/564709010.db2.gz HVVZJJGOWNCXQR-JTQLQIEISA-N 1 2 380.388 3.482 10 5 GGBELO COc1cc(C[N@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131363100 564709012 /nfs/dbraw/zinc/70/90/12/564709012.db2.gz HVVZJJGOWNCXQR-JTQLQIEISA-N 1 2 380.388 3.482 10 5 GGBELO CC(=O)N1CCC([N@@H+](Cc2csc([N+](=O)[O-])c2)Cc2cncs2)CC1 ZINC000292475820 565117584 /nfs/dbraw/zinc/11/75/84/565117584.db2.gz RSFYJQICYLYQDA-UHFFFAOYSA-N 1 2 380.495 3.126 10 5 GGBELO CC(=O)N1CCC([N@H+](Cc2csc([N+](=O)[O-])c2)Cc2cncs2)CC1 ZINC000292475820 565117589 /nfs/dbraw/zinc/11/75/89/565117589.db2.gz RSFYJQICYLYQDA-UHFFFAOYSA-N 1 2 380.495 3.126 10 5 GGBELO Cc1c(Br)cc(C(=O)NCc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000164263926 565357400 /nfs/dbraw/zinc/35/74/00/565357400.db2.gz WSJFVUXNUGFXDF-UHFFFAOYSA-N 1 2 393.241 3.057 10 5 GGBELO O=[N+]([O-])c1cnc(NC2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000301530724 565493912 /nfs/dbraw/zinc/49/39/12/565493912.db2.gz KYFBGJWCQSXTRF-UHFFFAOYSA-N 1 2 378.230 3.228 10 5 GGBELO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1n1cc[nH+]c1 ZINC000192366647 565683783 /nfs/dbraw/zinc/68/37/83/565683783.db2.gz CVSDWMLIBBQCDC-RISCZKNCSA-N 1 2 393.241 3.277 10 5 GGBELO Cc1cn2c([nH+]1)CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CC2 ZINC000366771501 566167909 /nfs/dbraw/zinc/16/79/09/566167909.db2.gz PFLWYCPQKIZZKY-UHFFFAOYSA-N 1 2 394.229 3.218 10 5 GGBELO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)c2cccc(Br)c2)c(F)c1 ZINC000508993068 566254470 /nfs/dbraw/zinc/25/44/70/566254470.db2.gz WSNOPQPGDJDEMP-OAHLLOKOSA-N 1 2 387.180 3.459 10 5 GGBELO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000599654700 566284111 /nfs/dbraw/zinc/28/41/11/566284111.db2.gz SVPYZAKGHBPEOI-UHFFFAOYSA-N 1 2 379.214 3.100 10 5 GGBELO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000599654700 566284114 /nfs/dbraw/zinc/28/41/14/566284114.db2.gz SVPYZAKGHBPEOI-UHFFFAOYSA-N 1 2 379.214 3.100 10 5 GGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cs2)c1 ZINC000600209765 566324467 /nfs/dbraw/zinc/32/44/67/566324467.db2.gz VXTKCCJIVJUSGE-ITNZAGEZSA-N 1 2 377.491 3.204 10 5 GGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cs2)c1 ZINC000600209765 566324475 /nfs/dbraw/zinc/32/44/75/566324475.db2.gz VXTKCCJIVJUSGE-ITNZAGEZSA-N 1 2 377.491 3.204 10 5 GGBELO C[C@](CO)([NH2+]Cc1cccc(O)c1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148853 566393713 /nfs/dbraw/zinc/39/37/13/566393713.db2.gz GWPMUQYTQSPWCJ-MRXNPFEDSA-N 1 2 381.226 3.060 10 5 GGBELO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601410205 566405209 /nfs/dbraw/zinc/40/52/09/566405209.db2.gz BLAHSJBNAWFTEK-LBPRGKRZSA-N 1 2 384.483 3.097 10 5 GGBELO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000540337624 566646868 /nfs/dbraw/zinc/64/68/68/566646868.db2.gz JQBUTSXISILDTM-MEBBXXQBSA-N 1 2 378.226 3.235 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000425490428 566648460 /nfs/dbraw/zinc/64/84/60/566648460.db2.gz KYGFXWZFWSRIEL-SKDRFNHKSA-N 1 2 383.164 3.102 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000425490428 566648463 /nfs/dbraw/zinc/64/84/63/566648463.db2.gz KYGFXWZFWSRIEL-SKDRFNHKSA-N 1 2 383.164 3.102 10 5 GGBELO Cc1cc[nH+]cc1N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000543873841 566919982 /nfs/dbraw/zinc/91/99/82/566919982.db2.gz LBNWLJJCSREWIX-UHFFFAOYSA-N 1 2 377.242 3.387 10 5 GGBELO Cc1cn2c([nH+]1)CN(c1c3cc(Br)ccc3ncc1[N+](=O)[O-])CC2 ZINC000611764164 566937031 /nfs/dbraw/zinc/93/70/31/566937031.db2.gz DOFRRLLFZWFNDZ-UHFFFAOYSA-N 1 2 388.225 3.431 10 5 GGBELO Cc1cc[nH+]cc1N1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000584859908 567075697 /nfs/dbraw/zinc/07/56/97/567075697.db2.gz IFSKQTBRUAEFQL-UHFFFAOYSA-N 1 2 392.257 3.091 10 5 GGBELO Cc1sc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1[N+](=O)[O-] ZINC000588845850 567141018 /nfs/dbraw/zinc/14/10/18/567141018.db2.gz VVZYODKDHJOQLJ-UHFFFAOYSA-N 1 2 380.495 3.199 10 5 GGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000567061479 567214149 /nfs/dbraw/zinc/21/41/49/567214149.db2.gz YDYNYOYDBDLPQV-UHFFFAOYSA-N 1 2 375.803 3.264 10 5 GGBELO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000500794108 567345526 /nfs/dbraw/zinc/34/55/26/567345526.db2.gz KBFZRZHMGDWPHE-UHFFFAOYSA-N 1 2 375.859 3.172 10 5 GGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccc(Br)cn2)c1 ZINC000593029833 567379466 /nfs/dbraw/zinc/37/94/66/567379466.db2.gz YFFUSFWMJZDFCG-SNVBAGLBSA-N 1 2 394.225 3.390 10 5 GGBELO O=C(NCCCCn1cc[nH+]c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551966832 567546190 /nfs/dbraw/zinc/54/61/90/567546190.db2.gz HWKLTXSPNZWSHF-UHFFFAOYSA-N 1 2 382.218 3.156 10 5 GGBELO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444224702 567798230 /nfs/dbraw/zinc/79/82/30/567798230.db2.gz KXFSLNZYICCXPE-NSHDSACASA-N 1 2 378.479 3.094 10 5 GGBELO C[C@H]1CSCC[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444224702 567798234 /nfs/dbraw/zinc/79/82/34/567798234.db2.gz KXFSLNZYICCXPE-NSHDSACASA-N 1 2 378.479 3.094 10 5 GGBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(Br)cnc1OC ZINC000599004878 567802577 /nfs/dbraw/zinc/80/25/77/567802577.db2.gz VAEACPDJAGZZEU-UHFFFAOYSA-N 1 2 396.241 3.449 10 5 GGBELO COc1cc2nc(C[N@H+](C)[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC ZINC000049581067 570271137 /nfs/dbraw/zinc/27/11/37/570271137.db2.gz YCRSYFQMOLQUPG-LBPRGKRZSA-N 1 2 398.419 3.042 10 5 GGBELO COc1cc2nc(C[N@@H+](C)[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC ZINC000049581067 570271140 /nfs/dbraw/zinc/27/11/40/570271140.db2.gz YCRSYFQMOLQUPG-LBPRGKRZSA-N 1 2 398.419 3.042 10 5 GGBELO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000025421541 570751104 /nfs/dbraw/zinc/75/11/04/570751104.db2.gz XIJNNINRRMFFHM-QGZVFWFLSA-N 1 2 397.431 3.450 10 5 GGBELO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000025421541 570751107 /nfs/dbraw/zinc/75/11/07/570751107.db2.gz XIJNNINRRMFFHM-QGZVFWFLSA-N 1 2 397.431 3.450 10 5 GGBELO Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000007050243 570764706 /nfs/dbraw/zinc/76/47/06/570764706.db2.gz BUDDJYQOGCSQKD-AWEZNQCLSA-N 1 2 386.433 3.128 10 5 GGBELO C[NH+](C)Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)o1 ZINC000583621971 570802283 /nfs/dbraw/zinc/80/22/83/570802283.db2.gz NFBAQBCGYILVFG-AWEZNQCLSA-N 1 2 393.831 3.060 10 5 GGBELO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2c(c1)COCO2 ZINC000069036798 1409550158 /nfs/dbraw/zinc/55/01/58/1409550158.db2.gz GIGSWWPQQREXSH-UHFFFAOYSA-N 1 2 389.839 3.437 10 5 GGBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129433771 1416208802 /nfs/dbraw/zinc/20/88/02/1416208802.db2.gz CKQXDMDFYLPOIN-DCGLDWPTSA-N 1 2 391.859 3.355 10 5 GGBELO C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000272347887 1434889376 /nfs/dbraw/zinc/88/93/76/1434889376.db2.gz COCUMPLXNGKLBX-SUMWQHHRSA-N 1 2 391.859 3.280 10 5 GGBELO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011148930 221111268 /nfs/dbraw/zinc/11/12/68/221111268.db2.gz YEUKQCHGMLTGHT-HNNXBMFYSA-N 1 2 380.828 3.129 10 5 GGBELO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011148930 221111270 /nfs/dbraw/zinc/11/12/70/221111270.db2.gz YEUKQCHGMLTGHT-HNNXBMFYSA-N 1 2 380.828 3.129 10 5 GGBELO Cc1cc(N2CCN(C(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000024236872 221612236 /nfs/dbraw/zinc/61/22/36/221612236.db2.gz BWTCXKAOMXBZRV-UHFFFAOYSA-N 1 2 384.440 3.171 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000024864448 564333439 /nfs/dbraw/zinc/33/34/39/564333439.db2.gz WNGYTFJMTLCCBD-NSHDSACASA-N 1 2 393.241 3.384 10 5 GGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000024864448 564333442 /nfs/dbraw/zinc/33/34/42/564333442.db2.gz WNGYTFJMTLCCBD-NSHDSACASA-N 1 2 393.241 3.384 10 5 GGBELO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000126815629 564563624 /nfs/dbraw/zinc/56/36/24/564563624.db2.gz DRVVBXSRSMFJRS-CYBMUJFWSA-N 1 2 392.209 3.046 10 5 GGBELO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCCCC3)c2)s1 ZINC000153843050 565013992 /nfs/dbraw/zinc/01/39/92/565013992.db2.gz FINAKTNPLGECNY-UHFFFAOYSA-N 1 2 381.479 3.443 10 5 GGBELO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000153953146 565019405 /nfs/dbraw/zinc/01/94/05/565019405.db2.gz RYOOBMIQGPPKJI-UHFFFAOYSA-N 1 2 399.519 3.006 10 5 GGBELO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370356291 565139771 /nfs/dbraw/zinc/13/97/71/565139771.db2.gz ZNNJDQSBNFNHEX-UHFFFAOYSA-N 1 2 393.241 3.029 10 5 GGBELO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370356291 565139776 /nfs/dbraw/zinc/13/97/76/565139776.db2.gz ZNNJDQSBNFNHEX-UHFFFAOYSA-N 1 2 393.241 3.029 10 5 GGBELO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270015178 565205668 /nfs/dbraw/zinc/20/56/68/565205668.db2.gz ZDRSUPSRLYAJFM-UHFFFAOYSA-N 1 2 394.229 3.492 10 5 GGBELO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000273110655 565308230 /nfs/dbraw/zinc/30/82/30/565308230.db2.gz KVHKMPWFHHNMMN-UHFFFAOYSA-N 1 2 380.857 3.470 10 5 GGBELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375541837 565394877 /nfs/dbraw/zinc/39/48/77/565394877.db2.gz SXRVVCOIVBBWOQ-SNVBAGLBSA-N 1 2 394.229 3.112 10 5 GGBELO Cc1ccnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000301701011 565505517 /nfs/dbraw/zinc/50/55/17/565505517.db2.gz FSSIOBLDUIQGPK-UHFFFAOYSA-N 1 2 391.269 3.383 10 5 GGBELO Cc1c(NC(=O)N(C)Cc2[nH+]ccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000280412733 565670604 /nfs/dbraw/zinc/67/06/04/565670604.db2.gz AAVNHOFDBAGOGZ-UHFFFAOYSA-N 1 2 382.218 3.063 10 5 GGBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177345213 565844418 /nfs/dbraw/zinc/84/44/18/565844418.db2.gz XTFHSVXPTUSHLC-UHFFFAOYSA-N 1 2 381.230 3.140 10 5 GGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1cc(F)cc(Br)c1)CC2 ZINC000445815763 566312968 /nfs/dbraw/zinc/31/29/68/566312968.db2.gz OINICDDHKLBUBX-UHFFFAOYSA-N 1 2 396.216 3.329 10 5 GGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1cc(F)cc(Br)c1)CC2 ZINC000445815763 566312986 /nfs/dbraw/zinc/31/29/86/566312986.db2.gz OINICDDHKLBUBX-UHFFFAOYSA-N 1 2 396.216 3.329 10 5 GGBELO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601410204 566404232 /nfs/dbraw/zinc/40/42/32/566404232.db2.gz BLAHSJBNAWFTEK-GFCCVEGCSA-N 1 2 384.483 3.097 10 5 GGBELO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000538138026 566495524 /nfs/dbraw/zinc/49/55/24/566495524.db2.gz MWUFLBXBGMQFSH-MEBBXXQBSA-N 1 2 378.226 3.235 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000579289864 566596216 /nfs/dbraw/zinc/59/62/16/566596216.db2.gz PKPJMUUFLNQHPC-NSHDSACASA-N 1 2 398.147 3.013 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000579289864 566596222 /nfs/dbraw/zinc/59/62/22/566596222.db2.gz PKPJMUUFLNQHPC-NSHDSACASA-N 1 2 398.147 3.013 10 5 GGBELO O=C(C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000425386387 566637902 /nfs/dbraw/zinc/63/79/02/566637902.db2.gz PAEDMUGJHBGDCX-UHFFFAOYSA-N 1 2 396.285 3.192 10 5 GGBELO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425403044 566639419 /nfs/dbraw/zinc/63/94/19/566639419.db2.gz SPAWVLUUFKRAJT-UHFFFAOYSA-N 1 2 398.301 3.438 10 5 GGBELO Cc1cc[nH+]cc1N1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425450303 566644810 /nfs/dbraw/zinc/64/48/10/566644810.db2.gz XYZUKWXVZIGKQC-UHFFFAOYSA-N 1 2 391.269 3.383 10 5 GGBELO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000540337625 566647400 /nfs/dbraw/zinc/64/74/00/566647400.db2.gz JQBUTSXISILDTM-ZUZCIYMTSA-N 1 2 378.226 3.235 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000425490425 566649439 /nfs/dbraw/zinc/64/94/39/566649439.db2.gz KYGFXWZFWSRIEL-JOYOIKCWSA-N 1 2 383.164 3.102 10 5 GGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000425490425 566649447 /nfs/dbraw/zinc/64/94/47/566649447.db2.gz KYGFXWZFWSRIEL-JOYOIKCWSA-N 1 2 383.164 3.102 10 5 GGBELO Cc1cc(Br)cn2cc(CCNc3ccc([N+](=O)[O-])nc3)[nH+]c12 ZINC000514633502 566658986 /nfs/dbraw/zinc/65/89/86/566658986.db2.gz FXGFNHLWKSZPJG-UHFFFAOYSA-N 1 2 376.214 3.363 10 5 GGBELO CC(C)N(CC[NH+]1CCCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000450541811 566683165 /nfs/dbraw/zinc/68/31/65/566683165.db2.gz UCPDJSLAIXQQQM-UHFFFAOYSA-N 1 2 389.543 3.151 10 5 GGBELO CS[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000451320825 566795778 /nfs/dbraw/zinc/79/57/78/566795778.db2.gz MJFDSFYZQGEUSS-ZDUSSCGKSA-N 1 2 378.479 3.094 10 5 GGBELO CS[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000451320825 566795781 /nfs/dbraw/zinc/79/57/81/566795781.db2.gz MJFDSFYZQGEUSS-ZDUSSCGKSA-N 1 2 378.479 3.094 10 5 GGBELO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612286190 566963838 /nfs/dbraw/zinc/96/38/38/566963838.db2.gz DQTBSKUTAUHYHC-CYBMUJFWSA-N 1 2 380.857 3.401 10 5 GGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1cccc(Br)c1)CC2 ZINC000544442653 566964319 /nfs/dbraw/zinc/96/43/19/566964319.db2.gz RRZNTJXXANJIGR-UHFFFAOYSA-N 1 2 378.226 3.189 10 5 GGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1cccc(Br)c1)CC2 ZINC000544442653 566964325 /nfs/dbraw/zinc/96/43/25/566964325.db2.gz RRZNTJXXANJIGR-UHFFFAOYSA-N 1 2 378.226 3.189 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000589258223 567170442 /nfs/dbraw/zinc/17/04/42/567170442.db2.gz VIWSOMSYUHWHQF-VIFPVBQESA-N 1 2 382.148 3.286 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](C(F)F)C2)c1 ZINC000589258223 567170447 /nfs/dbraw/zinc/17/04/47/567170447.db2.gz VIWSOMSYUHWHQF-VIFPVBQESA-N 1 2 382.148 3.286 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCCSCC2)c1 ZINC000566766425 567188014 /nfs/dbraw/zinc/18/80/14/567188014.db2.gz MNKGEUWKSFFLQC-UHFFFAOYSA-N 1 2 378.235 3.138 10 5 GGBELO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCCSCC2)c1 ZINC000566766425 567188018 /nfs/dbraw/zinc/18/80/18/567188018.db2.gz MNKGEUWKSFFLQC-UHFFFAOYSA-N 1 2 378.235 3.138 10 5 GGBELO CO[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1C ZINC000567032438 567212483 /nfs/dbraw/zinc/21/24/83/567212483.db2.gz REVJPPPAYYHIBU-YGRLFVJLSA-N 1 2 390.221 3.056 10 5 GGBELO CO[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1C ZINC000567032438 567212486 /nfs/dbraw/zinc/21/24/86/567212486.db2.gz REVJPPPAYYHIBU-YGRLFVJLSA-N 1 2 390.221 3.056 10 5 GGBELO C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455397645 567271402 /nfs/dbraw/zinc/27/14/02/567271402.db2.gz GLHHAXQZMFDVOE-PELKAZGASA-N 1 2 380.202 3.381 10 5 GGBELO Cc1c(NC(=O)NCCNc2cccc[nH+]2)cc(Br)cc1[N+](=O)[O-] ZINC000435327338 567356372 /nfs/dbraw/zinc/35/63/72/567356372.db2.gz GPGOMKVKQSWNFO-UHFFFAOYSA-N 1 2 394.229 3.294 10 5 GGBELO O=C(Cc1cn2ccccc2[nH+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501302459 567378896 /nfs/dbraw/zinc/37/88/96/567378896.db2.gz KJHPSEZPKSRPMU-UHFFFAOYSA-N 1 2 375.182 3.186 10 5 GGBELO C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437245093 567485423 /nfs/dbraw/zinc/48/54/23/567485423.db2.gz OLSCDBHGEXXDKF-SNVBAGLBSA-N 1 2 377.344 3.030 10 5 GGBELO COc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596106542 567608807 /nfs/dbraw/zinc/60/88/07/567608807.db2.gz CEXWGHZDGLYZEX-UHFFFAOYSA-N 1 2 382.873 3.426 10 5 GGBELO COc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596106542 567608815 /nfs/dbraw/zinc/60/88/15/567608815.db2.gz CEXWGHZDGLYZEX-UHFFFAOYSA-N 1 2 382.873 3.426 10 5 GGBELO Cc1c(NC(=O)N[C@H](C)c2[nH+]ccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000596888369 567662263 /nfs/dbraw/zinc/66/22/63/567662263.db2.gz POWVXABQGITOFA-SECBINFHSA-N 1 2 382.218 3.282 10 5 GGBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2nccc(Br)c2C1 ZINC000598946826 567799860 /nfs/dbraw/zinc/79/98/60/567799860.db2.gz VXOTYVPYNBWIKF-UHFFFAOYSA-N 1 2 378.226 3.189 10 5 GGBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2nccc(Br)c2C1 ZINC000598946826 567799863 /nfs/dbraw/zinc/79/98/63/567799863.db2.gz VXOTYVPYNBWIKF-UHFFFAOYSA-N 1 2 378.226 3.189 10 5 GGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3nccc(Br)c3C2)c1 ZINC000598946414 567799999 /nfs/dbraw/zinc/79/99/99/567799999.db2.gz RAZXXFWQLGLMFR-UHFFFAOYSA-N 1 2 378.226 3.189 10 5 GGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3nccc(Br)c3C2)c1 ZINC000598946414 567800002 /nfs/dbraw/zinc/80/00/02/567800002.db2.gz RAZXXFWQLGLMFR-UHFFFAOYSA-N 1 2 378.226 3.189 10 5 GGBELO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccncc3Br)CC2)c1 ZINC000599266118 567812047 /nfs/dbraw/zinc/81/20/47/567812047.db2.gz YWSWVEDUXVLYEN-UHFFFAOYSA-N 1 2 377.242 3.075 10 5 GGBELO O=c1c2cc([N+](=O)[O-])ccc2nc(C[NH+]2CCCCC2)n1-c1ccccc1F ZINC000004917715 570365404 /nfs/dbraw/zinc/36/54/04/570365404.db2.gz FDTNTYDEAVMANA-UHFFFAOYSA-N 1 2 382.395 3.419 10 5 GGBELO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000012552923 570855805 /nfs/dbraw/zinc/85/58/05/570855805.db2.gz APCJCDURFNYYMT-UHFFFAOYSA-N 1 2 389.839 3.437 10 5 GGBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000032902289 570897985 /nfs/dbraw/zinc/89/79/85/570897985.db2.gz XNZOQXWBCDGFFG-UHFFFAOYSA-N 1 2 385.811 3.400 10 5 GGBELO CCNc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000025777513 1399836147 /nfs/dbraw/zinc/83/61/47/1399836147.db2.gz QYAMYRIECBMDCL-RMKNXTFCSA-N 1 2 394.475 3.498 10 5 GGBELO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000098101809 1410417099 /nfs/dbraw/zinc/41/70/99/1410417099.db2.gz FWFZZSSRQGYXII-UHFFFAOYSA-N 1 2 393.403 3.097 10 5 GGBELO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1SC ZINC000125666971 1415249564 /nfs/dbraw/zinc/24/95/64/1415249564.db2.gz HFLZUGUKQURDDY-WFASDCNBSA-N 1 2 390.465 3.245 10 5 GGBELO