smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132363 466492465 /nfs/dbraw/zinc/49/24/65/466492465.db2.gz LGLNETNOAKOGMQ-QZTJIDSGSA-N 1 1 347.415 2.245 40 5 EEBBMO CC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132363 466492470 /nfs/dbraw/zinc/49/24/70/466492470.db2.gz LGLNETNOAKOGMQ-QZTJIDSGSA-N 1 1 347.415 2.245 40 5 EEBBMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC[N@@H+]1CCOC ZINC000225819747 536161787 /nfs/dbraw/zinc/16/17/87/536161787.db2.gz CEIMSMXIYZHWAE-AWEZNQCLSA-N 1 1 335.404 2.344 40 5 EEBBMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC[N@H+]1CCOC ZINC000225819747 536161792 /nfs/dbraw/zinc/16/17/92/536161792.db2.gz CEIMSMXIYZHWAE-AWEZNQCLSA-N 1 1 335.404 2.344 40 5 EEBBMO COc1ccc([C@@H]([NH3+])c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000095533659 463106842 /nfs/dbraw/zinc/10/68/42/463106842.db2.gz MEBZARGQQRHIQJ-CQSZACIVSA-N 1 1 325.328 2.437 40 5 EEBBMO COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@@H]([NH3+])c2ccccc2)n1 ZINC000095533485 463106922 /nfs/dbraw/zinc/10/69/22/463106922.db2.gz XGTRHLXRSINJJF-AWEZNQCLSA-N 1 1 325.328 2.437 40 5 EEBBMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)nc1 ZINC000195531739 464073640 /nfs/dbraw/zinc/07/36/40/464073640.db2.gz QVCPVRBCIUJWAL-GDBMZVCRSA-N 1 1 328.372 2.210 40 5 EEBBMO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000054394527 214235275 /nfs/dbraw/zinc/23/52/75/214235275.db2.gz BLOAQDZDDZFWNX-CQSZACIVSA-N 1 1 349.387 2.259 40 5 EEBBMO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000054394527 214235279 /nfs/dbraw/zinc/23/52/79/214235279.db2.gz BLOAQDZDDZFWNX-CQSZACIVSA-N 1 1 349.387 2.259 40 5 EEBBMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096441442 463267026 /nfs/dbraw/zinc/26/70/26/463267026.db2.gz ULWPEEADTYOXOE-IFIJOSMWSA-N 1 1 348.378 2.169 40 5 EEBBMO Cc1ccc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)c(C)c1 ZINC000096445737 463271311 /nfs/dbraw/zinc/27/13/11/463271311.db2.gz UFNTYWSJRFAVCZ-KRWDZBQOSA-N 1 1 330.388 2.482 40 5 EEBBMO Cc1ccc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)c(C)c1 ZINC000096445737 463271316 /nfs/dbraw/zinc/27/13/16/463271316.db2.gz UFNTYWSJRFAVCZ-KRWDZBQOSA-N 1 1 330.388 2.482 40 5 EEBBMO C[C@H]1CCC[N@@H+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000058008410 463534684 /nfs/dbraw/zinc/53/46/84/463534684.db2.gz LZOQQDDDZKYOIM-AWEZNQCLSA-N 1 1 344.415 2.398 40 5 EEBBMO CC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132365 466492116 /nfs/dbraw/zinc/49/21/16/466492116.db2.gz LGLNETNOAKOGMQ-ZWKOTPCHSA-N 1 1 347.415 2.245 40 5 EEBBMO CC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132365 466492121 /nfs/dbraw/zinc/49/21/21/466492121.db2.gz LGLNETNOAKOGMQ-ZWKOTPCHSA-N 1 1 347.415 2.245 40 5 EEBBMO C[C@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000096485366 463283726 /nfs/dbraw/zinc/28/37/26/463283726.db2.gz FSFFLIYVPKEYQK-JSGCOSHPSA-N 1 1 332.404 2.062 40 5 EEBBMO C[C@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000096485368 463283964 /nfs/dbraw/zinc/28/39/64/463283964.db2.gz FSFFLIYVPKEYQK-GXTWGEPZSA-N 1 1 332.404 2.062 40 5 EEBBMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cnn(C)c1)[NH+](C)C ZINC000096410584 463244007 /nfs/dbraw/zinc/24/40/07/463244007.db2.gz UJPAQKOMBAVVAO-OAHLLOKOSA-N 1 1 346.391 2.061 40 5 EEBBMO COc1ccc([C@H]([NH3+])c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000095533658 463107501 /nfs/dbraw/zinc/10/75/01/463107501.db2.gz MEBZARGQQRHIQJ-AWEZNQCLSA-N 1 1 325.328 2.437 40 5 EEBBMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000252508195 464975798 /nfs/dbraw/zinc/97/57/98/464975798.db2.gz XFXJYTRQJSLVJP-MRXNPFEDSA-N 1 1 331.372 2.045 40 5 EEBBMO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421037 468143916 /nfs/dbraw/zinc/14/39/16/468143916.db2.gz MKYRTBRZTXTUCA-OAHLLOKOSA-N 1 1 326.418 2.240 40 5 EEBBMO CC(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421037 468143918 /nfs/dbraw/zinc/14/39/18/468143918.db2.gz MKYRTBRZTXTUCA-OAHLLOKOSA-N 1 1 326.418 2.240 40 5 EEBBMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000195531478 464072383 /nfs/dbraw/zinc/07/23/83/464072383.db2.gz ULWPEEADTYOXOE-HACGYAERSA-N 1 1 348.378 2.169 40 5 EEBBMO CCn1c(/C=C/[NH+](C)C)c(C(=O)OC)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC000255188359 244045621 /nfs/dbraw/zinc/04/56/21/244045621.db2.gz JNXRXPSIUSCNTL-CMDGGOBGSA-N 1 1 345.355 2.249 40 5 EEBBMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)nc1 ZINC000096443419 463268308 /nfs/dbraw/zinc/26/83/08/463268308.db2.gz QVCPVRBCIUJWAL-GOEBONIOSA-N 1 1 328.372 2.210 40 5 EEBBMO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000063749542 462669242 /nfs/dbraw/zinc/66/92/42/462669242.db2.gz UEHVLSZLDABFDD-ZIAGYGMSSA-N 1 1 335.404 2.210 40 5 EEBBMO COc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000095533665 463107167 /nfs/dbraw/zinc/10/71/67/463107167.db2.gz ZLKJAZMOLFAKIX-CQSZACIVSA-N 1 1 325.328 2.437 40 5 EEBBMO COc1cccc([C@H]([NH3+])c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000095533516 463106495 /nfs/dbraw/zinc/10/64/95/463106495.db2.gz IVKHRKAMPZRSEW-AWEZNQCLSA-N 1 1 325.328 2.437 40 5 EEBBMO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000575421035 468143981 /nfs/dbraw/zinc/14/39/81/468143981.db2.gz MKYRTBRZTXTUCA-HNNXBMFYSA-N 1 1 326.418 2.240 40 5 EEBBMO CC(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000575421035 468143982 /nfs/dbraw/zinc/14/39/82/468143982.db2.gz MKYRTBRZTXTUCA-HNNXBMFYSA-N 1 1 326.418 2.240 40 5 EEBBMO O=C(CC[N@H+]1CCOC[C@H]1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000097103498 463325542 /nfs/dbraw/zinc/32/55/42/463325542.db2.gz AKMGPNMJWSCHJO-HNNXBMFYSA-N 1 1 337.351 2.173 40 5 EEBBMO CC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132362 466492571 /nfs/dbraw/zinc/49/25/71/466492571.db2.gz LGLNETNOAKOGMQ-MSOLQXFVSA-N 1 1 347.415 2.245 40 5 EEBBMO CC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132362 466492576 /nfs/dbraw/zinc/49/25/76/466492576.db2.gz LGLNETNOAKOGMQ-MSOLQXFVSA-N 1 1 347.415 2.245 40 5 EEBBMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000195531477 464072173 /nfs/dbraw/zinc/07/21/73/464072173.db2.gz ULWPEEADTYOXOE-SUYBPPKGSA-N 1 1 348.378 2.169 40 5 EEBBMO C[C@H](c1cccnc1)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193433595 463712979 /nfs/dbraw/zinc/71/29/79/463712979.db2.gz PVFRUZGLDTVRGR-CYBMUJFWSA-N 1 1 327.388 2.455 40 5 EEBBMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1c([N+](=O)[O-])ncn1C ZINC000077236644 462957929 /nfs/dbraw/zinc/95/79/29/462957929.db2.gz ULMYBOVGMSPKTO-AWEZNQCLSA-N 1 1 329.404 2.429 40 5 EEBBMO CC(=O)N1CCO[C@]2(CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 ZINC000096268781 463232199 /nfs/dbraw/zinc/23/21/99/463232199.db2.gz AZXCAATZDZDMMX-SFHVURJKSA-N 1 1 347.415 2.117 40 5 EEBBMO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCOCC2)c2ccncc21 ZINC000160413199 463336011 /nfs/dbraw/zinc/33/60/11/463336011.db2.gz IJDGYSXALGIZHX-AWEZNQCLSA-N 1 1 342.399 2.444 40 5 EEBBMO CCOc1cc(N2CCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000160404015 201412083 /nfs/dbraw/zinc/41/20/83/201412083.db2.gz WNOOLMVKCHJTOR-HNNXBMFYSA-N 1 1 335.404 2.295 40 5 EEBBMO CC(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 ZINC000096268780 463231764 /nfs/dbraw/zinc/23/17/64/463231764.db2.gz AZXCAATZDZDMMX-GOSISDBHSA-N 1 1 347.415 2.117 40 5 EEBBMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000096501055 463291055 /nfs/dbraw/zinc/29/10/55/463291055.db2.gz AEGWSPHIRPVYKF-GFCCVEGCSA-N 1 1 330.344 2.313 40 5 EEBBMO COc1cccc([C@H]([NH3+])c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000095533526 463106804 /nfs/dbraw/zinc/10/68/04/463106804.db2.gz FGDIBULFHSMXBF-AWEZNQCLSA-N 1 1 325.328 2.437 40 5 EEBBMO C[N@H+](Cc1cccc2ccccc21)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096435738 463263584 /nfs/dbraw/zinc/26/35/84/463263584.db2.gz DMDCDFMMZYPFCL-KRWDZBQOSA-N 1 1 340.383 2.437 40 5 EEBBMO COc1ccc([C@H]([NH3+])c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000095533664 463106994 /nfs/dbraw/zinc/10/69/94/463106994.db2.gz ZLKJAZMOLFAKIX-AWEZNQCLSA-N 1 1 325.328 2.437 40 5 EEBBMO O=C(CC[N@H+]1CCOC[C@@H]1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000097103497 463324689 /nfs/dbraw/zinc/32/46/89/463324689.db2.gz AKMGPNMJWSCHJO-OAHLLOKOSA-N 1 1 337.351 2.173 40 5 EEBBMO COc1cccc([C@H]([NH3+])c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)c1 ZINC000095533522 463106601 /nfs/dbraw/zinc/10/66/01/463106601.db2.gz LBKWAVDGHRSPGD-AWEZNQCLSA-N 1 1 325.328 2.437 40 5 EEBBMO C[N@H+](Cc1cccc2ccccc21)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096435739 463263412 /nfs/dbraw/zinc/26/34/12/463263412.db2.gz DMDCDFMMZYPFCL-QGZVFWFLSA-N 1 1 340.383 2.437 40 5 EEBBMO COc1cccc([C@@H]([NH3+])c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000095533527 463106334 /nfs/dbraw/zinc/10/63/34/463106334.db2.gz FGDIBULFHSMXBF-CQSZACIVSA-N 1 1 325.328 2.437 40 5 EEBBMO C[C@H]1CCCC[N@@H+]1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000096487417 463284789 /nfs/dbraw/zinc/28/47/89/463284789.db2.gz GIHAORXPQTXSTD-LBPRGKRZSA-N 1 1 341.433 2.285 40 5 EEBBMO C[C@H]1CCCC[N@H+]1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000096487417 463284795 /nfs/dbraw/zinc/28/47/95/463284795.db2.gz GIHAORXPQTXSTD-LBPRGKRZSA-N 1 1 341.433 2.285 40 5 EEBBMO Cc1cccc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000195572313 464079328 /nfs/dbraw/zinc/07/93/28/464079328.db2.gz MWZJWGOVBMWUSF-UHFFFAOYSA-N 1 1 346.431 2.038 40 5 EEBBMO Cc1cccc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000195572313 464079331 /nfs/dbraw/zinc/07/93/31/464079331.db2.gz MWZJWGOVBMWUSF-UHFFFAOYSA-N 1 1 346.431 2.038 40 5 EEBBMO O=c1c(Br)cc([N+](=O)[O-])cn1CC[NH+]1CCCCC1 ZINC000239367086 464443099 /nfs/dbraw/zinc/44/30/99/464443099.db2.gz AHJCIJUSBBJBBK-UHFFFAOYSA-N 1 1 330.182 2.005 40 5 EEBBMO C[NH+]1CCN(c2c3sc(N)nc3c(Cl)cc2[N+](=O)[O-])CC1 ZINC000045891376 273899293 /nfs/dbraw/zinc/89/92/93/273899293.db2.gz XKJGERIGVGLIFV-UHFFFAOYSA-N 1 1 327.797 2.192 40 5 EEBBMO C[C@@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000096485365 463283817 /nfs/dbraw/zinc/28/38/17/463283817.db2.gz FSFFLIYVPKEYQK-OCCSQVGLSA-N 1 1 332.404 2.062 40 5 EEBBMO COC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000097095561 463321449 /nfs/dbraw/zinc/32/14/49/463321449.db2.gz XGSXEOSBJSOWPO-NSHDSACASA-N 1 1 341.795 2.041 40 5 EEBBMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cncnc23)cc1F ZINC000306137631 466493096 /nfs/dbraw/zinc/49/30/96/466493096.db2.gz RBWHFXCMQDWYDQ-KRWDZBQOSA-N 1 1 344.346 2.198 40 5 EEBBMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)COCc2cncnc23)cc1F ZINC000306137631 466493102 /nfs/dbraw/zinc/49/31/02/466493102.db2.gz RBWHFXCMQDWYDQ-KRWDZBQOSA-N 1 1 344.346 2.198 40 5 EEBBMO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000058158690 463545477 /nfs/dbraw/zinc/54/54/77/463545477.db2.gz UEHVLSZLDABFDD-KBPBESRZSA-N 1 1 335.404 2.210 40 5 EEBBMO C[C@@H](c1cccnc1)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193433580 274279234 /nfs/dbraw/zinc/27/92/34/274279234.db2.gz PVFRUZGLDTVRGR-ZDUSSCGKSA-N 1 1 327.388 2.455 40 5 EEBBMO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000054394529 214236349 /nfs/dbraw/zinc/23/63/49/214236349.db2.gz BLOAQDZDDZFWNX-AWEZNQCLSA-N 1 1 349.387 2.259 40 5 EEBBMO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000054394529 214236350 /nfs/dbraw/zinc/23/63/50/214236350.db2.gz BLOAQDZDDZFWNX-AWEZNQCLSA-N 1 1 349.387 2.259 40 5 EEBBMO C[C@@H]1CCCC[N@@H+]1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000096487416 463284996 /nfs/dbraw/zinc/28/49/96/463284996.db2.gz GIHAORXPQTXSTD-GFCCVEGCSA-N 1 1 341.433 2.285 40 5 EEBBMO C[C@@H]1CCCC[N@H+]1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000096487416 463285001 /nfs/dbraw/zinc/28/50/01/463285001.db2.gz GIHAORXPQTXSTD-GFCCVEGCSA-N 1 1 341.433 2.285 40 5 EEBBMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000252508194 464975473 /nfs/dbraw/zinc/97/54/73/464975473.db2.gz XFXJYTRQJSLVJP-INIZCTEOSA-N 1 1 331.372 2.045 40 5 EEBBMO CCC(=O)Nc1cc(N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1Cl ZINC000045891893 462628456 /nfs/dbraw/zinc/62/84/56/462628456.db2.gz ZIPRLUOSQYLSRS-UHFFFAOYSA-N 1 1 326.784 2.349 40 5 EEBBMO O=C1NCCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000253392440 464997241 /nfs/dbraw/zinc/99/72/41/464997241.db2.gz ZCUVUHYTRRBYNW-UHFFFAOYSA-N 1 1 336.367 2.114 40 5 EEBBMO CC[NH+]1CCN(c2cc(NC(C)=O)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000045891653 462628206 /nfs/dbraw/zinc/62/82/06/462628206.db2.gz KEQSBVGIBOENNQ-UHFFFAOYSA-N 1 1 326.784 2.349 40 5 EEBBMO O=[N+]([O-])c1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000006062439 462675740 /nfs/dbraw/zinc/67/57/40/462675740.db2.gz UUYXIWMTSKMRMV-KRWDZBQOSA-N 1 1 328.368 2.393 40 5 EEBBMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3CC3CC3)n2)c1 ZINC000015674883 462960335 /nfs/dbraw/zinc/96/03/35/462960335.db2.gz JLXVYSALGOIMEY-KGLIPLIRSA-N 1 1 330.344 2.163 40 5 biogenic,in-vitro EEBBMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)c3cccc(F)c3)C2)nc1 ZINC000072665098 202365800 /nfs/dbraw/zinc/36/58/00/202365800.db2.gz YCSIDKHQARRUGP-GOEBONIOSA-N 1 1 346.362 2.349 40 5 EEBBMO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOCC1 ZINC000195558133 464076168 /nfs/dbraw/zinc/07/61/68/464076168.db2.gz KROFYSSXKJDCMB-GHMZBOCLSA-N 1 1 341.795 2.146 40 5 EEBBMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063864373 462679324 /nfs/dbraw/zinc/67/93/24/462679324.db2.gz CJZCHCHDUNVAHP-UHFFFAOYSA-N 1 1 349.412 2.352 40 5 EEBBMO COc1ccc([C@H]([NH3+])c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000095533668 463106904 /nfs/dbraw/zinc/10/69/04/463106904.db2.gz BZVHPZOOFQHRAF-AWEZNQCLSA-N 1 1 325.328 2.437 40 5 EEBBMO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000095533669 463107690 /nfs/dbraw/zinc/10/76/90/463107690.db2.gz BZVHPZOOFQHRAF-CQSZACIVSA-N 1 1 325.328 2.437 40 5 EEBBMO C[N@H+]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000096482645 463281421 /nfs/dbraw/zinc/28/14/21/463281421.db2.gz GMLXZXNOYPGXRI-UHFFFAOYSA-N 1 1 342.193 2.135 40 5 EEBBMO COC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000097095562 463321932 /nfs/dbraw/zinc/32/19/32/463321932.db2.gz XGSXEOSBJSOWPO-LLVKDONJSA-N 1 1 341.795 2.041 40 5 EEBBMO CC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132364 466491753 /nfs/dbraw/zinc/49/17/53/466491753.db2.gz LGLNETNOAKOGMQ-ROUUACIJSA-N 1 1 347.415 2.245 40 5 EEBBMO CC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132364 466491757 /nfs/dbraw/zinc/49/17/57/466491757.db2.gz LGLNETNOAKOGMQ-ROUUACIJSA-N 1 1 347.415 2.245 40 5 EEBBMO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000096453209 274096006 /nfs/dbraw/zinc/09/60/06/274096006.db2.gz KAJBZFKSQBKWHQ-GFCCVEGCSA-N 1 1 339.367 2.044 40 5 EEBBMO COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@H]([NH3+])c2ccccc2)n1 ZINC000095533484 463107464 /nfs/dbraw/zinc/10/74/64/463107464.db2.gz XGTRHLXRSINJJF-CQSZACIVSA-N 1 1 325.328 2.437 40 5 EEBBMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000096501054 463291971 /nfs/dbraw/zinc/29/19/71/463291971.db2.gz AEGWSPHIRPVYKF-LBPRGKRZSA-N 1 1 330.344 2.313 40 5 EEBBMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000019732669 212057886 /nfs/dbraw/zinc/05/78/86/212057886.db2.gz RYTJWZVFNQIWKR-CABCVRRESA-N 1 1 325.368 2.376 40 5 EEBBMO CCCc1[nH]nc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000096414250 463247302 /nfs/dbraw/zinc/24/73/02/463247302.db2.gz DDKSWQXMTLZCCI-UHFFFAOYSA-N 1 1 337.424 2.215 40 5 EEBBMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n2ccsc2n1 ZINC000253417338 465005932 /nfs/dbraw/zinc/00/59/32/465005932.db2.gz VKRAIVJSRPDKLD-UHFFFAOYSA-N 1 1 344.396 2.339 40 5 EEBBMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC[N@@H+]1CCOC ZINC000252523246 464979160 /nfs/dbraw/zinc/97/91/60/464979160.db2.gz CEIMSMXIYZHWAE-CQSZACIVSA-N 1 1 335.404 2.344 40 5 EEBBMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC[N@H+]1CCOC ZINC000252523246 464979161 /nfs/dbraw/zinc/97/91/61/464979161.db2.gz CEIMSMXIYZHWAE-CQSZACIVSA-N 1 1 335.404 2.344 40 5 EEBBMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)nc1 ZINC000096443420 463267997 /nfs/dbraw/zinc/26/79/97/463267997.db2.gz QVCPVRBCIUJWAL-HOCLYGCPSA-N 1 1 328.372 2.210 40 5 EEBBMO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCOCC2)c2ccncc21 ZINC000160413066 463335940 /nfs/dbraw/zinc/33/59/40/463335940.db2.gz IJDGYSXALGIZHX-CQSZACIVSA-N 1 1 342.399 2.444 40 5 EEBBMO COC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000079091100 217190776 /nfs/dbraw/zinc/19/07/76/217190776.db2.gz LREWTLPKRDYVEM-XJKSGUPXSA-N 1 1 333.388 2.059 40 5 EEBBMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000195558135 464076326 /nfs/dbraw/zinc/07/63/26/464076326.db2.gz KROFYSSXKJDCMB-MNOVXSKESA-N 1 1 341.795 2.146 40 5 EEBBMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1c([N+](=O)[O-])ncn1C ZINC000077236643 462957687 /nfs/dbraw/zinc/95/76/87/462957687.db2.gz ULMYBOVGMSPKTO-CQSZACIVSA-N 1 1 329.404 2.429 40 5 EEBBMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)c3cccc(F)c3)C2)nc1 ZINC000195531737 464073775 /nfs/dbraw/zinc/07/37/75/464073775.db2.gz YCSIDKHQARRUGP-GDBMZVCRSA-N 1 1 346.362 2.349 40 5 EEBBMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000191730835 464825538 /nfs/dbraw/zinc/82/55/38/464825538.db2.gz MZSYLYBVJJRCMY-UHFFFAOYSA-N 1 1 332.404 2.268 40 5 EEBBMO COC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000079091093 463188404 /nfs/dbraw/zinc/18/84/04/463188404.db2.gz LREWTLPKRDYVEM-CZUORRHYSA-N 1 1 333.388 2.059 40 5 EEBBMO COc1cc(N2CCC[N@H+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000078294913 202390545 /nfs/dbraw/zinc/39/05/45/202390545.db2.gz DRXWSNZDMNCDAD-UHFFFAOYSA-N 1 1 335.404 2.295 40 5 EEBBMO Cc1ccc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)c(C)c1 ZINC000096445738 463271087 /nfs/dbraw/zinc/27/10/87/463271087.db2.gz UFNTYWSJRFAVCZ-QGZVFWFLSA-N 1 1 330.388 2.482 40 5 EEBBMO Cc1ccc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)c(C)c1 ZINC000096445738 463271093 /nfs/dbraw/zinc/27/10/93/463271093.db2.gz UFNTYWSJRFAVCZ-QGZVFWFLSA-N 1 1 330.388 2.482 40 5 EEBBMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSc2ccccc2C1 ZINC000096485590 275043967 /nfs/dbraw/zinc/04/39/67/275043967.db2.gz VTVPEJCIKGWBAM-UHFFFAOYSA-N 1 1 331.397 2.364 40 5 EEBBMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cnn(C)c1)[NH+](C)C ZINC000096410583 463243542 /nfs/dbraw/zinc/24/35/42/463243542.db2.gz UJPAQKOMBAVVAO-HNNXBMFYSA-N 1 1 346.391 2.061 40 5 EEBBMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000245224745 464468860 /nfs/dbraw/zinc/46/88/60/464468860.db2.gz CSEPMOKJEDDHOU-CHWSQXEVSA-N 1 1 341.433 2.136 40 5 EEBBMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000096443292 463268457 /nfs/dbraw/zinc/26/84/57/463268457.db2.gz VFSSBOOZEXCPLO-GFCCVEGCSA-N 1 1 341.433 2.012 40 5 EEBBMO CCC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000096413033 463245152 /nfs/dbraw/zinc/24/51/52/463245152.db2.gz AEJPXTDWDYVNCF-UHFFFAOYSA-N 1 1 341.433 2.010 40 5 EEBBMO Cc1nn(C)c(NC2CCN(c3ccc(C)c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000078305693 463102382 /nfs/dbraw/zinc/10/23/82/463102382.db2.gz YTMOBQIJPOPTEW-UHFFFAOYSA-N 1 1 330.392 2.421 40 5 EEBBMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000033295955 463420376 /nfs/dbraw/zinc/42/03/76/463420376.db2.gz GQXGWBNRGPDMNO-LSDHHAIUSA-N 1 1 325.368 2.376 40 5 EEBBMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)c3cccc(F)c3)C2)nc1 ZINC000072665099 216289861 /nfs/dbraw/zinc/28/98/61/216289861.db2.gz YCSIDKHQARRUGP-HOCLYGCPSA-N 1 1 346.362 2.349 40 5 EEBBMO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOCC1 ZINC000195558131 464076141 /nfs/dbraw/zinc/07/61/41/464076141.db2.gz KROFYSSXKJDCMB-QWRGUYRKSA-N 1 1 341.795 2.146 40 5 EEBBMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOCC1 ZINC000195558130 464076160 /nfs/dbraw/zinc/07/61/60/464076160.db2.gz KROFYSSXKJDCMB-WDEREUQCSA-N 1 1 341.795 2.146 40 5 EEBBMO COc1cccc([C@@H]([NH3+])c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)c1 ZINC000095533523 257701480 /nfs/dbraw/zinc/70/14/80/257701480.db2.gz LBKWAVDGHRSPGD-CQSZACIVSA-N 1 1 325.328 2.437 40 5 EEBBMO O=[N+]([O-])c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000006062442 275037330 /nfs/dbraw/zinc/03/73/30/275037330.db2.gz UUYXIWMTSKMRMV-QGZVFWFLSA-N 1 1 328.368 2.393 40 5 EEBBMO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000058158687 463545504 /nfs/dbraw/zinc/54/55/04/463545504.db2.gz UEHVLSZLDABFDD-KGLIPLIRSA-N 1 1 335.404 2.210 40 5 EEBBMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096441444 463266985 /nfs/dbraw/zinc/26/69/85/463266985.db2.gz ULWPEEADTYOXOE-MRRJBJDNSA-N 1 1 348.378 2.169 40 5 EEBBMO C[C@@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000096485367 463283865 /nfs/dbraw/zinc/28/38/65/463283865.db2.gz FSFFLIYVPKEYQK-TZMCWYRMSA-N 1 1 332.404 2.062 40 5 EEBBMO COc1cccc([C@@H]([NH3+])c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000095533517 463106658 /nfs/dbraw/zinc/10/66/58/463106658.db2.gz IVKHRKAMPZRSEW-CQSZACIVSA-N 1 1 325.328 2.437 40 5 EEBBMO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000096453208 274095772 /nfs/dbraw/zinc/09/57/72/274095772.db2.gz KAJBZFKSQBKWHQ-LBPRGKRZSA-N 1 1 339.367 2.044 40 5 EEBBMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)nc1 ZINC000245339146 464470969 /nfs/dbraw/zinc/47/09/69/464470969.db2.gz QVCPVRBCIUJWAL-ZBFHGGJFSA-N 1 1 328.372 2.210 40 5 EEBBMO COC[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247843348 464709254 /nfs/dbraw/zinc/70/92/54/464709254.db2.gz LREWTLPKRDYVEM-BBRMVZONSA-N 1 1 333.388 2.059 40 5 EEBBMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000023042747 463059993 /nfs/dbraw/zinc/05/99/93/463059993.db2.gz VFGAPBQBFAEFMF-UHFFFAOYSA-N 1 1 339.395 2.482 40 5 EEBBMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000058008406 463535472 /nfs/dbraw/zinc/53/54/72/463535472.db2.gz LZOQQDDDZKYOIM-CQSZACIVSA-N 1 1 344.415 2.398 40 5 EEBBMO CCOc1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000160403880 276370374 /nfs/dbraw/zinc/37/03/74/276370374.db2.gz WNOOLMVKCHJTOR-OAHLLOKOSA-N 1 1 335.404 2.295 40 5 EEBBMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H](O)c3cccc(F)c3)C2)nc1 ZINC000245344208 464470887 /nfs/dbraw/zinc/47/08/87/464470887.db2.gz YCSIDKHQARRUGP-ZBFHGGJFSA-N 1 1 346.362 2.349 40 5 EEBBMO O=C(CC[N@H+]1CCOC2(CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000097103494 463325244 /nfs/dbraw/zinc/32/52/44/463325244.db2.gz JFKATFXBBJNJSM-UHFFFAOYSA-N 1 1 337.351 2.317 40 5 EEBBMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000096443291 463268897 /nfs/dbraw/zinc/26/88/97/463268897.db2.gz VFSSBOOZEXCPLO-LBPRGKRZSA-N 1 1 341.433 2.012 40 5 EEBBMO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000096486535 463284209 /nfs/dbraw/zinc/28/42/09/463284209.db2.gz SVUQQQIJRBPRRH-UHFFFAOYSA-N 1 1 335.408 2.092 40 5 EEBBMO COC[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247843351 464709711 /nfs/dbraw/zinc/70/97/11/464709711.db2.gz LREWTLPKRDYVEM-CJNGLKHVSA-N 1 1 333.388 2.059 40 5 EEBBMO